    63
 Energy=    -106.840664601240
O             0.3608200026        0.9448205659       -3.6112569130
H             1.0807232490        0.8191040180       -2.9507442630
H            -0.2240552307        1.6051903440       -3.2255576270
O            -0.6088746483        3.0600699470        2.3014562840
H            -1.4786893570        2.7846133670        1.9628617120
H            -0.1632262798        2.2209103250        2.5466309790
O            -0.1220964005        3.3738955400       -1.9651302650
H             0.6070837274        3.4829010620       -2.5825581300
H             0.2451544850        3.5939018160       -1.0818360680
O             0.9372500553        3.9576276890        0.4399876157
H             0.3284224953        3.6045121530        1.1609818660
H             1.0926924770        4.8763518930        0.6595383794
O            -3.2170218890       -0.4067524396        2.1145701030
H            -2.4860407320       -0.7277394096        2.6881147580
H            -3.2761413340       -1.0359649140        1.3776538540
O            -1.9000609010        1.4682423240       -1.1154563600
H            -1.3912881310        2.2286219290       -1.4401217560
H            -2.3465793220        1.7591695320       -0.2941977282
O            -1.0700412400       -1.2545278480        3.4941212370
H            -0.4855167817       -0.4907333062        3.3397319870
H            -0.5709017404       -2.0134701580        3.1601006280
O             0.6427867485       -3.1292766150        2.2923969060
H             1.4619373210       -2.6601274370        1.9787484720
H             0.9362721582       -3.9742923470        2.6322897840
O            -0.6699044116       -2.6230958330        0.0054326851
H            -1.6402596540       -2.5957987930        0.0856530785
H            -0.3026866846       -2.9038766330        0.8653317647
O             2.9601908760       -1.9859243160       -1.4310375350
H             2.1277344900       -2.4304904390       -1.7602910560
H             3.6922566230       -2.4842292090       -1.7932142050
O             2.0539273510        0.5589637060       -1.5836987460
H             2.5480508280       -0.2775409536       -1.6292092130
H             1.3121598650        0.3611208095       -0.9594676148
O            -0.8281019458       -1.3904556910       -3.7390973800
H            -0.9790696571       -1.5846195290       -4.6642096680
H            -0.3722803011       -0.5062138193       -3.7104268420
O            -3.3296678330       -2.1701212130       -0.0359802485
H            -3.2694416030       -1.6319305800       -0.8746227583
H            -4.0874851310       -2.7454135680       -0.1372289237
O             3.2775754790        0.6296855267        2.1426992110
H             4.0201719940        0.8618643719        2.6990694940
H             3.2748722650        1.2810903140        1.3855756650
O            -2.9523193010        2.0298759360        1.2837255990
H            -3.7984118300        2.4377444480        1.4670458660
H            -3.0214056090        1.0911700000        1.6366809040
O             2.8162548750       -1.9882822390        1.3480684850
H             2.9868278520       -1.0770370510        1.6395989140
H             2.8498783860       -1.9734833300        0.3757588289
O             0.0159458847       -0.0452283245       -0.0172458059
H            -0.7349508495        0.4494015046       -0.4101803221
H            -0.2200014818       -0.9994561618       -0.0520072396
O             0.7444594194       -3.0982923770       -2.2529285250
H             0.2357862393       -2.5306151870       -2.8582628400
H             0.2249692860       -3.0933477740       -1.4287672560
O             3.1505426880        2.3214033890        0.1538208067
H             2.4043856700        2.9279649450        0.3036621930
H             2.8614919800        1.7373606200       -0.5758009201
O             0.5770469608        0.6742535544        2.5087875630
H             1.5464468720        0.6523298233        2.5600268340
H             0.3660682790        0.4051657554        1.5878764160
O            -3.0453816210       -0.7623873579       -2.2220724870
H            -2.7488403180        0.1051913730       -1.8991181200
H            -2.3029335630       -1.1030361270       -2.7527625760
    63
 Energy=    -106.840664599020
O             0.3720845449        0.8065753123       -3.8672630120
H             1.0230210470        0.7321546078       -3.1380781880
H            -0.1297943624        1.6056893330       -3.6851616470
O            -0.6089836191        3.0928259920        2.3608601720
H            -1.4721777850        2.8312509420        1.9948962140
H            -0.1673572127        2.2439201100        2.5743063740
O             0.1773396854        3.0316448380       -1.8118369360
H             0.9244568088        2.4234362570       -1.8672015790
H             0.3600344873        3.5644546410       -1.0160545720
O             0.9506468390        4.0930129230        0.5554193991
H             0.3385296665        3.7170960570        1.2587868750
H             1.1073405840        5.0044999600        0.8002648519
O            -3.1886735100       -0.3638958238        2.0972247220
H            -2.4727710740       -0.6957770970        2.6820851890
H            -3.2537747290       -1.0013844380        1.3679745110
O            -1.8728306160        1.4391321980       -1.1224750930
H            -1.2330345020        2.1195408080       -1.4230603970
H            -2.3093689280        1.7893415470       -0.3221458990
O            -1.0683305630       -1.2558570000        3.5007679050
H            -0.4900050168       -0.4866291295        3.3506462980
H            -0.5667287481       -2.0077749880        3.1551230920
O             0.6642954937       -3.1085796730        2.2782143990
H             1.4670539050       -2.6295835760        1.9414502850
H             0.9819165692       -3.9372392870        2.6362432360
O            -0.6686111840       -2.6778689130       -0.0123892494
H            -1.6382919270       -2.6335753500        0.0734594405
H            -0.3006393471       -2.9444708890        0.8514260391
O             2.9372590270       -1.7857821370       -1.5018306110
H             2.1239661550       -2.2745804820       -1.8155717270
H             3.6879123160       -2.2567236740       -1.8627914900
O             1.8985927790        0.6941938011       -1.6236540720
H             2.4667538420       -0.0936496438       -1.6930199500
H             1.1887003240        0.4012669219       -0.9912787685
O            -0.9375841226       -1.4760908560       -3.7840791270
H            -1.1195226840       -1.7397448430       -4.6862748800
H            -0.4607990220       -0.6084383655       -3.8373341690
O            -3.3178911780       -2.1673048300       -0.0190863869
H            -3.2773748380       -1.6263877620       -0.8576565783
H            -4.0894318500       -2.7279755600       -0.0956118030
O             3.2653743780        0.6519427469        2.1762203510
H             3.9924725470        0.9001914076        2.7460018840
H             3.2470172760        1.3147527440        1.4321176540
O            -2.9244641300        2.0823205610        1.2706150070
H            -3.7729544740        2.4857625450        1.4526401850
H            -2.9913864310        1.1438399070        1.6191216190
O             2.8030588130       -1.9331663980        1.2820727400
H             2.9840787910       -1.0397315870        1.6176518190
H             2.8238206990       -1.8679921580        0.3117938874
O            -0.0115968894       -0.0950896855       -0.0120581263
H            -0.7829590823        0.3869828204       -0.3885511860
H            -0.2268393356       -1.0541827770       -0.0524211810
O             0.7752638725       -3.0304002280       -2.2783847130
H             0.2112114809       -2.5173283710       -2.8831172740
H             0.2629141995       -3.0732696390       -1.4514746610
O             3.0784720300        2.3675350660        0.2081153566
H             2.3689308010        3.0137631070        0.3779166704
H             2.7608345650        1.8102582890       -0.5263014867
O             0.5574021474        0.6834916824        2.5029751730
H             1.5261158270        0.6569029112        2.5597441860
H             0.3448407948        0.3962092173        1.5888723180
O            -3.0883859990       -0.7548012162       -2.2062026080
H            -2.7619695260        0.1061350271       -1.8923056790
H            -2.3706685050       -1.1140903030       -2.7568253250
    63
 Energy=    -106.840664598520
O             0.3720918934        0.8065716371       -3.8672695710
H             1.0230299090        0.7321540297       -3.1380810760
H            -0.1297915699        1.6056835630       -3.6851728040
O            -0.6090042722        3.0928471320        2.3608603640
H            -1.4721974520        2.8312670470        1.9948914300
H            -0.1673760121        2.2439422640        2.5743064840
O             0.1773541641        3.0316387620       -1.8118399370
H             0.9244713213        2.4234373480       -1.8672064930
H             0.3600468749        3.5644501700       -1.0160584120
O             0.9506483990        4.0930106960        0.5554231435
H             0.3385240680        3.7171034260        1.2587900590
H             1.1073670520        5.0044895310        0.8002804990
O            -3.1886564080       -0.3638936303        2.0972298530
H            -2.4727596680       -0.6957861771        2.6820881040
H            -3.2537678380       -1.0013824010        1.3679741270
O            -1.8728288860        1.4391290220       -1.1224866740
H            -1.2330299930        2.1195374490       -1.4230718880
H            -2.3093714390        1.7893400140       -0.3221614895
O            -1.0683095280       -1.2558616460        3.5007676830
H            -0.4899906829       -0.4866348604        3.3506410470
H            -0.5667019584       -2.0077866060        3.1551384110
O             0.6643102829       -3.1085972560        2.2782257020
H             1.4670646230       -2.6295979330        1.9414591150
H             0.9819332191       -3.9372686950        2.6362252300
O            -0.6686131188       -2.6778564670       -0.0123765317
H            -1.6382871770       -2.6335630050        0.0734763494
H            -0.3006340635       -2.9444626700        0.8514421470
O             2.9372469620       -1.7857763910       -1.5018392680
H             2.1239512660       -2.2745749940       -1.8155744090
H             3.6878960630       -2.2567221050       -1.8628051880
O             1.8985899200        0.6942020089       -1.6236541250
H             2.4667452500       -0.0936487745       -1.6930197930
H             1.1886933630        0.4012768462       -0.9912843500
O            -0.9375851731       -1.4760809980       -3.7840839270
H            -1.1195116850       -1.7397404590       -4.6862813610
H            -0.4607919586       -0.6084327020       -3.8373417620
O            -3.3178908280       -2.1672990090       -0.0190802626
H            -3.2773749630       -1.6263887340       -0.8576569223
H            -4.0894220280       -2.7279852360       -0.0956036036
O             3.2653637200        0.6519367221        2.1762274000
H             3.9924668450        0.9001776456        2.7460057830
H             3.2470105720        1.3147465510        1.4321258840
O            -2.9244645880        2.0823140850        1.2706000150
H            -3.7729639910        2.4857447170        1.4526197830
H            -2.9913702830        1.1438384910        1.6191195860
O             2.8030600400       -1.9331755850        1.2820604970
H             2.9840752850       -1.0397395900        1.6176488220
H             2.8238149880       -1.8679950580        0.3117884189
O            -0.0115997559       -0.0950782451       -0.0120521455
H            -0.7829642754        0.3869871142       -0.3885469921
H            -0.2268373184       -1.0541737000       -0.0524096792
O             0.7752531086       -3.0303905010       -2.2783766360
H             0.2111985472       -2.5173235150       -2.8831109510
H             0.2629048401       -3.0732652820       -1.4514652010
O             3.0784679310        2.3675294130        0.2081258998
H             2.3689258560        3.0137590200        0.3779196864
H             2.7608316110        1.8102483580       -0.5262905208
O             0.5573862520        0.6835067262        2.5029773770
H             1.5261024270        0.6569133385        2.5597443020
H             0.3448275871        0.3962273990        1.5888744880
O            -3.0883921600       -0.7548049916       -2.2062043160
H            -2.7619706240        0.1061308291       -1.8923138880
H            -2.3706834400       -1.1140965340       -2.7568280310
    63
 Energy=    -106.840664596180
O             0.3721007306        0.8065585891       -3.8672709470
H             1.0230442890        0.7321560275       -3.1380914680
H            -0.1297953872        1.6056638100       -3.6851787150
O            -0.6090317161        3.0928760790        2.3608693180
H            -1.4722164950        2.8312912530        1.9948873130
H            -0.1673976733        2.2439714730        2.5743017600
O             0.1773689334        3.0316241550       -1.8118407710
H             0.9244948873        2.4234273860       -1.8672084410
H             0.3600618608        3.5644405290       -1.0160620320
O             0.9506574354        4.0930042530        0.5554293160
H             0.3385217011        3.7171152030        1.2587922970
H             1.1074100410        5.0044721560        0.8003063205
O            -3.1886300560       -0.3638957842        2.0972320180
H            -2.4727420760       -0.6957987765        2.6820964020
H            -3.2537574980       -1.0013752500        1.3679718980
O            -1.8728328660        1.4391179860       -1.1225035380
H            -1.2330278380        2.1195207850       -1.4230843270
H            -2.3093774920        1.7893300590       -0.3221791310
O            -1.0682811590       -1.2558693050        3.5007720250
H            -0.4899673308       -0.4866374237        3.3506342090
H            -0.5666702359       -2.0078004650        3.1551671270
O             0.6643251230       -3.1086245290        2.2782386290
H             1.4670706520       -2.6296117200        1.9414708920
H             0.9819541060       -3.9373120950        2.6362012060
O            -0.6686091695       -2.6778485320       -0.0123583483
H            -1.6382874080       -2.6335405420        0.0734991035
H            -0.3006323807       -2.9444461650        0.8514585160
O             2.9372262250       -1.7857634670       -1.5018516230
H             2.1239291720       -2.2745647210       -1.8155786500
H             3.6878710250       -2.2567155330       -1.8628169350
O             1.8985801840        0.6942153312       -1.6236586990
H             2.4667313690       -0.0936376820       -1.6930144310
H             1.1886803200        0.4013015349       -0.9912873961
O            -0.9375839668       -1.4760631490       -3.7840922880
H            -1.1194932530       -1.7397284310       -4.6862896680
H            -0.4607724492       -0.6084246571       -3.8373562220
O            -3.3178994440       -2.1672802130       -0.0190742299
H            -3.2773680000       -1.6263928790       -0.8576649280
H            -4.0894075580       -2.7279977490       -0.0955870956
O             3.2653514520        0.6519355901        2.1762351340
H             3.9924604390        0.9001676130        2.7460109670
H             3.2470095030        1.3147441240        1.4321301830
O            -2.9244644080        2.0823049570        1.2705801390
H            -3.7729725430        2.4857205390        1.4525918600
H            -2.9913396470        1.1438333810        1.6191213850
O             2.8030549700       -1.9331842590        1.2820469790
H             2.9840630900       -1.0397511880        1.6176428940
H             2.8237954420       -1.8679939060        0.3117703571
O            -0.0116024729       -0.0950658428       -0.0120538184
H            -0.7829779942        0.3869887495       -0.3885396795
H            -0.2268329771       -1.0541629600       -0.0523929412
O             0.7752424353       -3.0303766720       -2.2783621630
H             0.2111838368       -2.5173179940       -2.8831018770
H             0.2628916660       -3.0732622530       -1.4514545190
O             3.0784633230        2.3675239860        0.2081395637
H             2.3689237840        3.0137583970        0.3779231898
H             2.7608311380        1.8102398360       -0.5262724168
O             0.5573699082        0.6835215434        2.5029833930
H             1.5260809460        0.6569265013        2.5597403940
H             0.3448094418        0.3962495221        1.5888762230
O            -3.0884074890       -0.7548100926       -2.2062148330
H            -2.7619685800        0.1061241613       -1.8923336410
H            -2.3707007610       -1.1141136710       -2.7568357560
    63
 Energy=    -106.840664595570
O             0.3720965877        0.8065511987       -3.8672661010
H             1.0230450040        0.7321562725       -3.1380909160
H            -0.1297986312        1.6056552790       -3.6851699930
O            -0.6090320421        3.0928781370        2.3608770460
H            -1.4722148500        2.8312933300        1.9948879810
H            -0.1673976168        2.2439740780        2.5742994120
O             0.1773676940        3.0316224200       -1.8118407720
H             0.9244985438        2.4234259090       -1.8672115820
H             0.3600617815        3.5644401260       -1.0160623580
O             0.9506609122        4.0930022960        0.5554293509
H             0.3385219842        3.7171162630        1.2587910350
H             1.1074161310        5.0044684530        0.8003102237
O            -3.1886300590       -0.3638979054        2.0972323370
H            -2.4727410920       -0.6957998783        2.6820993660
H            -3.2537606740       -1.0013752110        1.3679711080
O            -1.8728373690        1.4391171420       -1.1225068330
H            -1.2330269260        2.1195164700       -1.4230838480
H            -2.3093759590        1.7893272550       -0.3221786472
O            -1.0682801300       -1.2558680470        3.5007729780
H            -0.4899668824       -0.4866365087        3.3506317230
H            -0.5666714699       -2.0077999140        3.1551706900
O             0.6643242381       -3.1086277880        2.2782365730
H             1.4670694340       -2.6296108920        1.9414714970
H             0.9819538115       -3.9373154690        2.6361996430
O            -0.6686105706       -2.6778487990       -0.0123582800
H            -1.6382878530       -2.6335355850        0.0735014085
H            -0.3006328927       -2.9444413880        0.8514589679
O             2.9372243940       -1.7857626340       -1.5018515210
H             2.1239265290       -2.2745641070       -1.8155781040
H             3.6878710890       -2.2567114750       -1.8628211700
O             1.8985749280        0.6942150171       -1.6236626310
H             2.4667310990       -0.0936353837       -1.6930092130
H             1.1886800640        0.4013081923       -0.9912823463
O            -0.9375834565       -1.4760625130       -3.7840948200
H            -1.1194901110       -1.7397261140       -4.6862915400
H            -0.4607691881       -0.6084248165       -3.8373581690
O            -3.3179027120       -2.1672745660       -0.0190730362
H            -3.2773643690       -1.6263937850       -0.8576696309
H            -4.0894041850       -2.7280032440       -0.0955855075
O             3.2653519160        0.6519396155        2.1762359030
H             3.9924612080        0.9001699506        2.7460104160
H             3.2470136180        1.3147458060        1.4321275860
O            -2.9244628800        2.0823028560        1.2705806310
H            -3.7729709790        2.4857194710        1.4525889000
H            -2.9913345490        1.1438305620        1.6191211390
O             2.8030559750       -1.9331845170        1.2820470140
H             2.9840613700       -1.0397537330        1.6176432430
H             2.8237924390       -1.8679946360        0.3117691989
O            -0.0116014277       -0.0950632867       -0.0120600994
H            -0.7829819551        0.3869881418       -0.3885393700
H            -0.2268326682       -1.0541611400       -0.0523915352
O             0.7752414530       -3.0303754620       -2.2783621600
H             0.2111843918       -2.5173181440       -2.8831024360
H             0.2628913389       -3.0732617900       -1.4514543260
O             3.0784633520        2.3675250320        0.2081405344
H             2.3689227080        3.0137582830        0.3779228941
H             2.7608309990        1.8102408950       -0.5262695637
O             0.5573688788        0.6835195845        2.5029829310
H             1.5260802720        0.6569274421        2.5597405890
H             0.3448076922        0.3962519988        1.5888766760
O            -3.0884090850       -0.7548081483       -2.2062188830
H            -2.7619647110        0.1061247133       -1.8923379620
H            -2.3707034410       -1.1141177070       -2.7568361560
    63
 Energy=    -106.840664587560
O             0.3721744832        0.8065668938       -3.8673283860
H             1.0231070150        0.7321757835       -3.1381355960
H            -0.1297534961        1.6056532200       -3.6852347790
O            -0.6091277289        3.0929810890        2.3608658840
H            -1.4722930270        2.8314114940        1.9948315570
H            -0.1675111626        2.2440713890        2.5743161010
O             0.1774220892        3.0316209830       -1.8118604550
H             0.9245853117        2.4234699610       -1.8672628380
H             0.3600785874        3.5644052940       -1.0160539380
O             0.9506636375        4.0929980670        0.5554524480
H             0.3384538485        3.7171510640        1.2587741970
H             1.1075553390        5.0044252790        0.8003939043
O            -3.1885430170       -0.3639119682        2.0972437810
H            -2.4726537880       -0.6957998448        2.6821087870
H            -3.2536595550       -1.0014156100        1.3680048590
O            -1.8728146330        1.4391285930       -1.1225519470
H            -1.2330000690        2.1195259340       -1.4231210320
H            -2.3093837030        1.7893455450       -0.3222411014
O            -1.0682032620       -1.2559228850        3.5007800790
H            -0.4899193874       -0.4866723068        3.3506329590
H            -0.5665571723       -2.0078518020        3.1552270690
O             0.6643829718       -3.1087468140        2.2782500010
H             1.4671135400       -2.6297057500        1.9414899700
H             0.9820231684       -3.9374677770        2.6361184510
O            -0.6685589102       -2.6778183150       -0.0122733767
H            -1.6382333450       -2.6334505090        0.0735965027
H            -0.3005738273       -2.9444637370        0.8515293385
O             2.9371620540       -1.7857503250       -1.5018735830
H             2.1238233900       -2.2745096970       -1.8155653490
H             3.6877640000       -2.2567134110       -1.8629093570
O             1.8985532550        0.6941954464       -1.6236748550
H             2.4666922710       -0.0936763354       -1.6929655730
H             1.1886046150        0.4013006509       -0.9913491807
O            -0.9375952734       -1.4760226290       -3.7840979530
H            -1.1193807280       -1.7397431720       -4.6863069700
H            -0.4607509656       -0.6084017160       -3.8373467530
O            -3.3178800360       -2.1672653730       -0.0190342058
H            -3.2774096740       -1.6263978240       -0.8576356546
H            -4.0893605880       -2.7280241960       -0.0955245107
O             3.2652939830        0.6518947703        2.1763138380
H             3.9924633800        0.9000902678        2.7460314470
H             3.2469525510        1.3146868360        1.4321983160
O            -2.9244775110        2.0822766390        1.2705069820
H            -3.7730149890        2.4856357290        1.4525033170
H            -2.9913036210        1.1438144240        1.6190808550
O             2.8030651490       -1.9332056320        1.2819974140
H             2.9840176090       -1.0397680280        1.6176138230
H             2.8237696570       -1.8679783060        0.3117214597
O            -0.0115935636       -0.0950352070       -0.0120467101
H            -0.7829699542        0.3870141558       -0.3885326922
H            -0.2268020477       -1.0541391530       -0.0523722306
O             0.7751471387       -3.0303384420       -2.2783198480
H             0.2110991705       -2.5172405920       -2.8830370260
H             0.2628194836       -3.0732095870       -1.4513947600
O             3.0784235140        2.3674890370        0.2081934912
H             2.3688837880        3.0137397300        0.3779265293
H             2.7608396420        1.8102193820       -0.5262473233
O             0.5573065143        0.6836207504        2.5029681380
H             1.5260178790        0.6570051366        2.5597525310
H             0.3447631703        0.3963497010        1.5888565480
O            -3.0884349390       -0.7548372343       -2.2062233220
H            -2.7619960430        0.1061001305       -1.8923556070
H            -2.3707550840       -1.1141215990       -2.7568941840
    63
 Energy=    -106.840664588510
O             0.3721878667        0.8065724727       -3.8673414580
H             1.0231102030        0.7321790396       -3.1381442750
H            -0.1297448381        1.6056605180       -3.6852528350
O            -0.6091488406        3.0929964430        2.3608553800
H            -1.4723085310        2.8314229180        1.9948227690
H            -0.1675308854        2.2440865910        2.5743196370
O             0.1774322469        3.0316306140       -1.8118668280
H             0.9245967103        2.4234816520       -1.8672660580
H             0.3600857089        3.5644130130       -1.0160580170
O             0.9506629363        4.0929996620        0.5554551032
H             0.3384464476        3.7171598740        1.2587761140
H             1.1075724940        5.0044224870        0.8004058325
O            -3.1885219170       -0.3639138795        2.0972502630
H            -2.4726361830       -0.6958000922        2.6821123840
H            -3.2536408350       -1.0014248150        1.3680116710
O            -1.8728041530        1.4391336800       -1.1225602230
H            -1.2329918350        2.1195316040       -1.4231274120
H            -2.3093795780        1.7893529820       -0.3222520157
O            -1.0681857380       -1.2559299090        3.5007846670
H            -0.4899068590       -0.4866778984        3.3506363120
H            -0.5665378013       -2.0078624430        3.1552277320
O             0.6643956495       -3.1087671310        2.2782534010
H             1.4671236330       -2.6297242710        1.9414892550
H             0.9820365291       -3.9374938940        2.6361072990
O            -0.6685514347       -2.6778141320       -0.0122591602
H            -1.6382270440       -2.6334517660        0.0736128850
H            -0.3005643072       -2.9444702150        0.8515392849
O             2.9371508940       -1.7857550970       -1.5018751680
H             2.1238081470       -2.2745122570       -1.8155608950
H             3.6877437550       -2.2567169550       -1.8629262550
O             1.8985579420        0.6941935108       -1.6236771880
H             2.4666856070       -0.0936835405       -1.6929697900
H             1.1885990390        0.4012987316       -0.9913594171
O            -0.9375958372       -1.4760110470       -3.7840982830
H            -1.1193536320       -1.7397504390       -4.6863084600
H            -0.4607497467       -0.6083938936       -3.8373510400
O            -3.3178725680       -2.1672699750       -0.0190282289
H            -3.2774058470       -1.6263984470       -0.8576287206
H            -4.0893585990       -2.7280220550       -0.0955132208
O             3.2652815180        0.6518886593        2.1763234720
H             3.9924634610        0.9000735377        2.7460307670
H             3.2469372430        1.3146782180        1.4322060630
O            -2.9244846810        2.0822723010        1.2704928680
H            -3.7730261470        2.4856236740        1.4524888720
H            -2.9913012650        1.1438123240        1.6190741500
O             2.8030632280       -1.9332084450        1.2819954310
H             2.9840063660       -1.0397658440        1.6176150670
H             2.8237691780       -1.8679786810        0.3117228798
O            -0.0115956849       -0.0950325721       -0.0120441012
H            -0.7829689204        0.3870155651       -0.3885395142
H            -0.2268005708       -1.0541361570       -0.0523660622
O             0.7751285220       -3.0303297980       -2.2783134670
H             0.2110797443       -2.5172260260       -2.8830224840
H             0.2628048169       -3.0732029740       -1.4513859420
O             3.0784111610        2.3674763020        0.2081974382
H             2.3688729400        3.0137296620        0.3779310537
H             2.7608318310        1.8102112250       -0.5262474611
O             0.5572944358        0.6836396330        2.5029709620
H             1.5260003490        0.6570182962        2.5597594690
H             0.3447578463        0.3963639257        1.5888542680
O            -3.0884344130       -0.7548412039       -2.2062169630
H            -2.7619982020        0.1060997507       -1.8923544140
H            -2.3707604530       -1.1141154120       -2.7568979120
    63
 Energy=    -106.840664585010
O             0.3721725167        0.8065651454       -3.8673499830
H             1.0231089240        0.7321867900       -3.1381542090
H            -0.1297709977        1.6056330060       -3.6852397070
O            -0.6091912790        3.0930455550        2.3608438440
H            -1.4723507930        2.8314651350        1.9947959730
H            -0.1675992346        2.2441405300        2.5743345600
O             0.1774580328        3.0316822110       -1.8118849120
H             0.9246536254        2.4235761150       -1.8673329870
H             0.3601069993        3.5644440770       -1.0160623880
O             0.9506432991        4.0930074070        0.5554516143
H             0.3384465693        3.7171835080        1.2587975260
H             1.1076558620        5.0043922400        0.8004674035
O            -3.1884650130       -0.3639373893        2.0972571020
H            -2.4725725150       -0.6957935936        2.6821445070
H            -3.2535960640       -1.0014712490        1.3680460030
O            -1.8727714610        1.4391581450       -1.1225983980
H            -1.2329440550        2.1195604700       -1.4231298830
H            -2.3093425950        1.7893686100       -0.3222891041
O            -1.0681430270       -1.2559620080        3.5008212760
H            -0.4898874147       -0.4866908450        3.3506381280
H            -0.5665092697       -2.0078835200        3.1552323620
O             0.6644410908       -3.1088265000        2.2782588160
H             1.4671687260       -2.6298043460        1.9414488800
H             0.9820624851       -3.9375848950        2.6360676980
O            -0.6685407248       -2.6777669630       -0.0122086080
H            -1.6382098490       -2.6334334680        0.0736776420
H            -0.3005316898       -2.9444958200        0.8515529943
O             2.9371010730       -1.7857798160       -1.5018638220
H             2.1237460710       -2.2745347780       -1.8155365710
H             3.6876838430       -2.2567072550       -1.8629972910
O             1.8985509600        0.6941790508       -1.6237003610
H             2.4666634930       -0.0937118128       -1.6929577780
H             1.1885825610        0.4013300390       -0.9913708320
O            -0.9375712448       -1.4760135740       -3.7841096200
H            -1.1192488590       -1.7397794570       -4.6863191240
H            -0.4607468457       -0.6083732858       -3.8373495580
O            -3.3178384680       -2.1672863260       -0.0190304573
H            -3.2773879120       -1.6263850530       -0.8576143967
H            -4.0893348620       -2.7280340710       -0.0954661678
O             3.2652726010        0.6518743271        2.1763490470
H             3.9924823970        0.9000298719        2.7460252590
H             3.2468982580        1.3146637950        1.4322317150
O            -2.9245000420        2.0822505430        1.2704667990
H            -3.7730544100        2.4855887040        1.4524267200
H            -2.9912955110        1.1437780500        1.6190163940
O             2.8030259430       -1.9332009270        1.2820042080
H             2.9839806550       -1.0397695670        1.6176212490
H             2.8237726570       -1.8679971450        0.3117258923
O            -0.0116060207       -0.0950135006       -0.0120532507
H            -0.7829857414        0.3870115786       -0.3885740575
H            -0.2268047626       -1.0541204760       -0.0523562907
O             0.7750691688       -3.0302973060       -2.2782818210
H             0.2110145440       -2.5171900050       -2.8829864020
H             0.2627531281       -3.0731740080       -1.4513500290
O             3.0783842000        2.3674472000        0.2081876127
H             2.3688372710        3.0136811030        0.3779577606
H             2.7607890990        1.8102007790       -0.5262676311
O             0.5572473506        0.6836903097        2.5029727300
H             1.5259520920        0.6570812936        2.5597961980
H             0.3447536309        0.3964176093        1.5888532320
O            -3.0884275420       -0.7548414811       -2.2062292940
H            -2.7619753150        0.1060937494       -1.8923703520
H            -2.3707645070       -1.1141089030       -2.7569263790
    63
 Energy=    -106.840664583830
O             0.3721715619        0.8065609281       -3.8673482750
H             1.0231145700        0.7321865256       -3.1381561960
H            -0.1297624052        1.6056331960       -3.6852370600
O            -0.6091910383        3.0930493560        2.3608462850
H            -1.4723524200        2.8314704480        1.9947956520
H            -0.1676021994        2.2441450610        2.5743349930
O             0.1774581377        3.0316805460       -1.8118852770
H             0.9246566669        2.4235776910       -1.8673414800
H             0.3601053601        3.5644403450       -1.0160610920
O             0.9506355408        4.0930093600        0.5554455134
H             0.3384485719        3.7171824860        1.2587974900
H             1.1076635590        5.0043882800        0.8004698933
O            -3.1884644400       -0.3639397290        2.0972575330
H            -2.4725700520       -0.6957900748        2.6821480430
H            -3.2535972110       -1.0014740080        1.3680470250
O            -1.8727749540        1.4391595280       -1.1226027850
H            -1.2329427470        2.1195613180       -1.4231288080
H            -2.3093407420        1.7893660480       -0.3222880123
O            -1.0681432010       -1.2559633270        3.5008268420
H            -0.4898903104       -0.4866932816        3.3506340370
H            -0.5665094193       -2.0078829090        3.1552312800
O             0.6644468836       -3.1088323750        2.2782640140
H             1.4671758890       -2.6298101370        1.9414414200
H             0.9820605236       -3.9375846040        2.6360621930
O            -0.6685391906       -2.6777606280       -0.0122043054
H            -1.6382105680       -2.6334279040        0.0736814300
H            -0.3005290598       -2.9444986420        0.8515503824
O             2.9370999550       -1.7857819860       -1.5018647420
H             2.1237396630       -2.2745352500       -1.8155353520
H             3.6876825010       -2.2567041690       -1.8630040220
O             1.8985467620        0.6941753115       -1.6237061960
H             2.4666656710       -0.0937148080       -1.6929506660
H             1.1885842130        0.4013327580       -0.9913675642
O            -0.9375685457       -1.4760148490       -3.7841086290
H            -1.1192460550       -1.7397785670       -4.6863189850
H            -0.4607487948       -0.6083704227       -3.8373467480
O            -3.3178321450       -2.1672872520       -0.0190310327
H            -3.2773901300       -1.6263844320       -0.8576115880
H            -4.0893326470       -2.7280409990       -0.0954610121
O             3.2652750640        0.6518698008        2.1763501160
H             3.9924845470        0.9000288862        2.7460289880
H             3.2468959910        1.3146650870        1.4322389730
O            -2.9245002250        2.0822513610        1.2704733100
H            -3.7730570490        2.4855884770        1.4524246170
H            -2.9912967900        1.1437745550        1.6190098100
O             2.8030185540       -1.9331978970        1.2820049040
H             2.9839836780       -1.0397717490        1.6176215110
H             2.8237762120       -1.8680005880        0.3117251820
O            -0.0116047379       -0.0950103624       -0.0120603709
H            -0.7829877376        0.3870091083       -0.3885741035
H            -0.2268058400       -1.0541201690       -0.0523580394
O             0.7750669384       -3.0302904790       -2.2782821620
H             0.2110108732       -2.5171873610       -2.8829860640
H             0.2627503659       -3.0731709980       -1.4513463500
O             3.0783874160        2.3674479920        0.2081868928
H             2.3688359160        3.0136771360        0.3779608173
H             2.7607881320        1.8102031110       -0.5262669138
O             0.5572460489        0.6836928303        2.5029708390
H             1.5259500470        0.6570873595        2.5597988350
H             0.3447525809        0.3964219172        1.5888519870
O            -3.0884322460       -0.7548399011       -2.2062374480
H            -2.7619771300        0.1060915571       -1.8923701760
H            -2.3707672620       -1.1141109030       -2.7569298700
    63
 Energy=    -106.840664565020
O             0.3722597812        0.8065975419       -3.8674816170
H             1.0231199630        0.7321979269       -3.1382217760
H            -0.1295869284        1.6057504510       -3.6854867910
O            -0.6095267698        3.0932072210        2.3607379190
H            -1.4726256680        2.8315357800        1.9946122340
H            -0.1678983568        2.2443578670        2.5743533260
O             0.1775342265        3.0318920800       -1.8119164770
H             0.9246868540        2.4237296390       -1.8673551190
H             0.3601920978        3.5646270610       -1.0160769930
O             0.9507071415        4.0929755590        0.5555714238
H             0.3383338239        3.7172706080        1.2588246890
H             1.1078316300        5.0043472850        0.8005691670
O            -3.1881986520       -0.3639358439        2.0972659160
H            -2.4722991540       -0.6957941624        2.6821433880
H            -3.2533642240       -1.0014928850        1.3680778190
O            -1.8726351220        1.4392364580       -1.1227792560
H            -1.2328518860        2.1196783650       -1.4233150530
H            -2.3092873340        1.7894516670       -0.3225186848
O            -1.0678763300       -1.2560675100        3.5007645200
H            -0.4896684550       -0.4867492675        3.3505927430
H            -0.5662058632       -2.0079610540        3.1551777490
O             0.6646498308       -3.1091009000        2.2782604880
H             1.4673495290       -2.6300036860        1.9414818220
H             0.9823017213       -3.9379222540        2.6358928300
O            -0.6684498850       -2.6776802990       -0.0119821732
H            -1.6381266020       -2.6335479160        0.0738699336
H            -0.3004152666       -2.9444808380        0.8517479626
O             2.9369668340       -1.7858606660       -1.5019774250
H             2.1235565010       -2.2746083950       -1.8155361460
H             3.6874879060       -2.2567592010       -1.8632751120
O             1.8985916190        0.6941713829       -1.6238155480
H             2.4666424950       -0.0937606379       -1.6931681450
H             1.1886636470        0.4013550312       -0.9914267238
O            -0.9376584655       -1.4758970240       -3.7840784450
H            -1.1189005320       -1.7400186750       -4.6862698520
H            -0.4608180208       -0.6082754767       -3.8374173920
O            -3.3177302630       -2.1673942400       -0.0189397298
H            -3.2772364650       -1.6264824770       -0.8575166706
H            -4.0893112980       -2.7280269600       -0.0953697832
O             3.2650172190        0.6517821203        2.1765290140
H             3.9924699150        0.8996703729        2.7460079420
H             3.2467462410        1.3145263630        1.4323590890
O            -2.9246485890        2.0822300110        1.2702122890
H            -3.7732321020        2.4854850290        1.4522156110
H            -2.9912758280        1.1437917810        1.6188782430
O             2.8031257660       -1.9332438740        1.2820047700
H             2.9837883330       -1.0397569780        1.6176414800
H             2.8237700880       -1.8680038480        0.3117314493
O            -0.0115419395       -0.0948729458       -0.0120312076
H            -0.7828881661        0.3870973085       -0.3886899355
H            -0.2267636397       -1.0539823500       -0.0521835463
O             0.7747972727       -3.0302610650       -2.2781838730
H             0.2107496503       -2.5170610150       -2.8828204870
H             0.2625760590       -3.0730478100       -1.4511833260
O             3.0782616520        2.3672302540        0.2083153443
H             2.3686897200        3.0134335960        0.3780956818
H             2.7606968010        1.8099961470       -0.5261654435
O             0.5570403216        0.6839092641        2.5030528570
H             1.5257312050        0.6572366185        2.5599976490
H             0.3446248807        0.3966828362        1.5888999880
O            -3.0884796070       -0.7547990353       -2.2060439600
H            -2.7620491450        0.1061812818       -1.8922896780
H            -2.3708990660       -1.1140280190       -2.7568594880
    63
 Energy=    -106.840664560290
O             0.3722779164        0.8066093686       -3.8675091930
H             1.0231320880        0.7322078495       -3.1382407050
H            -0.1295292691        1.6058015100       -3.6855597530
O            -0.6095850056        3.0932272570        2.3607115530
H            -1.4726809510        2.8315416650        1.9945729140
H            -0.1679432078        2.2443895760        2.5743561750
O             0.1775544758        3.0319022190       -1.8119043160
H             0.9246740426        2.4237060310       -1.8673291020
H             0.3602085638        3.5646296270       -1.0160551600
O             0.9506985177        4.0929743650        0.5555860487
H             0.3383162995        3.7172661220        1.2588277010
H             1.1078358350        5.0043463190        0.8005763277
O            -3.1881595780       -0.3639223651        2.0972528360
H            -2.4722656790       -0.6957896474        2.6821175560
H            -3.2533352970       -1.0014651060        1.3680570670
O            -1.8726163520        1.4392463650       -1.1228060100
H            -1.2328569350        2.1197047880       -1.4233597120
H            -2.3093034850        1.7894560560       -0.3225653850
O            -1.0678386750       -1.2560881380        3.5007287630
H            -0.4896347393       -0.4867689190        3.3505777160
H            -0.5661342566       -2.0079726220        3.1551736070
O             0.6646950488       -3.1091154020        2.2782918640
H             1.4673845320       -2.6300159130        1.9415030180
H             0.9823485868       -3.9379616210        2.6358645480
O            -0.6684264429       -2.6776585860       -0.0119501523
H            -1.6381146850       -2.6335562890        0.0738835295
H            -0.3003975463       -2.9444743550        0.8517836305
O             2.9369544060       -1.7858498500       -1.5020291780
H             2.1235336380       -2.2745978340       -1.8155555090
H             3.6874718940       -2.2567732770       -1.8632876770
O             1.8985829890        0.6941703020       -1.6238404380
H             2.4666443060       -0.0937554103       -1.6932092790
H             1.1886779950        0.4013335136       -0.9914430121
O            -0.9376899802       -1.4758846460       -3.7840592680
H            -1.1188956410       -1.7400609340       -4.6862502120
H            -0.4608486841       -0.6082725613       -3.8374279070
O            -3.3177219890       -2.1674282130       -0.0189250801
H            -3.2772368360       -1.6264897050       -0.8574797646
H            -4.0893246650       -2.7280226420       -0.0953678177
O             3.2649719750        0.6517354412        2.1765581820
H             3.9924561430        0.8996005564        2.7460171030
H             3.2467073150        1.3144951770        1.4324023650
O            -2.9246717050        2.0822425860        1.2701729730
H            -3.7732665220        2.4854779480        1.4521872050
H            -2.9912673440        1.1438084000        1.6188572270
O             2.8031412710       -1.9332513370        1.2819862050
H             2.9837786220       -1.0397554140        1.6176374620
H             2.8237733820       -1.8679973420        0.3117164997
O            -0.0115091040       -0.0948547396       -0.0120210685
H            -0.7828504890        0.3871283161       -0.3886717465
H            -0.2267510414       -1.0539542310       -0.0521516101
O             0.7747770348       -3.0302622800       -2.2781684610
H             0.2107212989       -2.5170621010       -2.8828035270
H             0.2625648631       -3.0730462760       -1.4511570850
O             3.0782649720        2.3672017690        0.2083540268
H             2.3686923900        3.0134074790        0.3781157504
H             2.7607105730        1.8099638160       -0.5261253169
O             0.5570159990        0.6839445640        2.5030739290
H             1.5257141270        0.6572482666        2.5600183960
H             0.3445941698        0.3967222610        1.5889136420
O            -3.0885041510       -0.7547914559       -2.2060176690
H            -2.7620813570        0.1061887086       -1.8922537030
H            -2.3709225530       -1.1140214100       -2.7568415210
    63
 Energy=    -106.840664551540
O             0.3722766224        0.8066234140       -3.8675329700
H             1.0231259110        0.7322328849       -3.1382605520
H            -0.1295107078        1.6058365860       -3.6856273210
O            -0.6096492166        3.0932450760        2.3606958480
H            -1.4727182030        2.8315379180        1.9945240630
H            -0.1679964769        2.2444096530        2.5743526150
O             0.1775868528        3.0319334830       -1.8118977700
H             0.9246723070        2.4236952690       -1.8672943590
H             0.3602390257        3.5646413010       -1.0160366800
O             0.9507026601        4.0929763820        0.5556026454
H             0.3382941169        3.7172709830        1.2588242650
H             1.1078233960        5.0043489760        0.8005978630
O            -3.1881173500       -0.3638991297        2.0972355050
H            -2.4722229210       -0.6957925177        2.6820879260
H            -3.2533046800       -1.0014462110        1.3680425370
O            -1.8726047350        1.4392694360       -1.1228487030
H            -1.2328420990        2.1197305970       -1.4233884810
H            -2.3093037800        1.7894707190       -0.3226084144
O            -1.0677948140       -1.2561160020        3.5007087070
H            -0.4896051978       -0.4867836591        3.3505697560
H            -0.5660662212       -2.0079956360        3.1551716830
O             0.6647424800       -3.1091231010        2.2783325190
H             1.4674267540       -2.6300316710        1.9415222430
H             0.9823960468       -3.9379946350        2.6358418800
O            -0.6684130180       -2.6776487210       -0.0119209747
H            -1.6380995480       -2.6335663880        0.0739003028
H            -0.3003837450       -2.9444704170        0.8518122357
O             2.9369343480       -1.7858361630       -1.5020562290
H             2.1235218240       -2.2745852390       -1.8155800150
H             3.6874545270       -2.2567970570       -1.8632851280
O             1.8985607800        0.6941715341       -1.6238656360
H             2.4666299670       -0.0937457298       -1.6932516540
H             1.1886730370        0.4013066939       -0.9914602531
O            -0.9377010153       -1.4758842200       -3.7840561880
H            -1.1188937110       -1.7400986090       -4.6862333230
H            -0.4608745525       -0.6082634949       -3.8374467310
O            -3.3177246170       -2.1674534350       -0.0189082434
H            -3.2772269290       -1.6264931810       -0.8574430317
H            -4.0893544530       -2.7280069890       -0.0953717458
O             3.2649384650        0.6516927305        2.1765685400
H             3.9924400770        0.8995360731        2.7460133270
H             3.2466530370        1.3144669210        1.4324291420
O            -2.9246896690        2.0822492390        1.2701283050
H            -3.7732952850        2.4854541620        1.4521520880
H            -2.9912666150        1.1438214540        1.6188289140
O             2.8031352490       -1.9332552590        1.2819752460
H             2.9837734850       -1.0397601480        1.6176398760
H             2.8237775310       -1.8679951820        0.3117018245
O            -0.0114824797       -0.0948388083       -0.0119994959
H            -0.7828022830        0.3871663184       -0.3886472043
H            -0.2267410040       -1.0539403590       -0.0521209933
O             0.7747531033       -3.0302792320       -2.2781551760
H             0.2106980693       -2.5170654780       -2.8827791140
H             0.2625542307       -3.0730601580       -1.4511369700
O             3.0782520860        2.3671619030        0.2083879445
H             2.3686993400        3.0133951980        0.3781329215
H             2.7607152080        1.8099318450       -0.5261076286
O             0.5569964505        0.6839854408        2.5030952610
H             1.5256938980        0.6572562306        2.5600354970
H             0.3445666105        0.3967525977        1.5889440270
O            -3.0885126970       -0.7547789281       -2.2059904320
H            -2.7620716140        0.1061944689       -1.8922221650
H            -2.3709267550       -1.1140021280       -2.7568124420
    63
 Energy=    -106.840664532830
O             0.3721534597        0.8066382430       -3.8675399390
H             1.0230167410        0.7323045816       -3.1382715960
H            -0.1295656800        1.6059125090       -3.6857224330
O            -0.6097729941        3.0932766140        2.3606689880
H            -1.4727948600        2.8315509260        1.9943977120
H            -0.1681460021        2.2444455940        2.5743603740
O             0.1776572029        3.0320588220       -1.8119208410
H             0.9247135795        2.4237740460       -1.8673230070
H             0.3603117541        3.5646915210       -1.0160058490
O             0.9507090330        4.0929631390        0.5556451119
H             0.3382124375        3.7172673850        1.2587947180
H             1.1077472220        5.0043465330        0.8006622047
O            -3.1880104820       -0.3638769672        2.0971588300
H            -2.4721253970       -0.6957960587        2.6820076620
H            -3.2533101680       -1.0014677770        1.3680146490
O            -1.8725160360        1.4393596130       -1.1229219270
H            -1.2327513660        2.1198348090       -1.4234197620
H            -2.3092568780        1.7895581400       -0.3227052169
O            -1.0677299600       -1.2562002350        3.5006586490
H            -0.4895882364       -0.4868244598        3.3505297710
H            -0.5659264753       -2.0080639860        3.1551846810
O             0.6648774398       -3.1091417440        2.2783953680
H             1.4675782080       -2.6300721880        1.9415657880
H             0.9825024344       -3.9380566580        2.6358338680
O            -0.6683878706       -2.6775908590       -0.0118434700
H            -1.6380645910       -2.6335421150        0.0739850937
H            -0.3003457346       -2.9444092880        0.8518817727
O             2.9369362160       -1.7858824290       -1.5020544710
H             2.1235107750       -2.2745843180       -1.8156453410
H             3.6874314350       -2.2568482040       -1.8632978100
O             1.8985338010        0.6941595569       -1.6238935100
H             2.4665953300       -0.0937545735       -1.6933454790
H             1.1886587630        0.4012800985       -0.9914793627
O            -0.9376797986       -1.4759261480       -3.7840521860
H            -1.1189315430       -1.7401425120       -4.6862210140
H            -0.4609435082       -0.6082604257       -3.8374719470
O            -3.3177848160       -2.1674770460       -0.0188670484
H            -3.2772234910       -1.6264806430       -0.8573824280
H            -4.0894280750       -2.7280125330       -0.0953882906
O             3.2648878510        0.6515773235        2.1765881600
H             3.9924283280        0.8993647595        2.7459954240
H             3.2465456860        1.3143955190        1.4324770160
O            -2.9247467750        2.0822435220        1.2699899710
H            -3.7733731460        2.4853973500        1.4520247830
H            -2.9912611160        1.1438172060        1.6187088200
O             2.8031720150       -1.9333006490        1.2819565780
H             2.9838370390       -1.0398351640        1.6176454140
H             2.8238242100       -1.8680212580        0.3116842518
O            -0.0114674923       -0.0947623205       -0.0119060879
H            -0.7827442250        0.3872885818       -0.3885972243
H            -0.2267404641       -1.0538589540       -0.0520639319
O             0.7747197460       -3.0303546150       -2.2781445660
H             0.2106564282       -2.5171260580       -2.8827440140
H             0.2625562286       -3.0731101790       -1.4511066610
O             3.0781946420        2.3670456340        0.2084473319
H             2.3687054190        3.0133511840        0.3781508042
H             2.7606843540        1.8098834280       -0.5261095083
O             0.5569393662        0.6840863517        2.5031576390
H             1.5256273750        0.6572871382        2.5601121250
H             0.3445281556        0.3968215856        1.5890141720
O            -3.0884608740       -0.7547101837       -2.2058797280
H            -2.7619395240        0.1062377714       -1.8921342550
H            -2.3709239940       -1.1139713360       -2.7567293420
    63
 Energy=    -106.840664487840
O             0.3719559158        0.8068311159       -3.8676354810
H             1.0227777050        0.7324510019       -3.1383481410
H            -0.1296145003        1.6062317840       -3.6859587960
O            -0.6100415201        3.0933803280        2.3604945990
H            -1.4730447290        2.8316912090        1.9941502270
H            -0.1684786914        2.2445704610        2.5744074720
O             0.1777661912        3.0321845210       -1.8120226740
H             0.9247576413        2.4238318190       -1.8674247470
H             0.3603963279        3.5647277590       -1.0160454690
O             0.9506771255        4.0928558940        0.5556645109
H             0.3381052098        3.7171359450        1.2587417800
H             1.1075285990        5.0042765290        0.8006531840
O            -3.1877025250       -0.3638286204        2.0968835220
H            -2.4718361260       -0.6958361804        2.6817017250
H            -3.2532392930       -1.0015856390        1.3678984410
O            -1.8723504800        1.4394857930       -1.1229280070
H            -1.2326322920        2.1199956020       -1.4234518190
H            -2.3092511850        1.7897068300       -0.3228054563
O            -1.0676422130       -1.2564029230        3.5005184700
H            -0.4895990969       -0.4869438718        3.3504615460
H            -0.5656478975       -2.0082278010        3.1552433680
O             0.6651893816       -3.1092467520        2.2784718200
H             1.4678663490       -2.6301967530        1.9415812570
H             0.9828427677       -3.9381555430        2.6358987740
O            -0.6683266389       -2.6773808740       -0.0116486321
H            -1.6380005440       -2.6334025060        0.0742732905
H            -0.3001875766       -2.9441765940        0.8520437528
O             2.9369134600       -1.7859545940       -1.5021841210
H             2.1235064000       -2.2747174470       -1.8156737220
H             3.6874247850       -2.2570387650       -1.8632640850
O             1.8985539310        0.6941815268       -1.6240417930
H             2.4666018250       -0.0937321141       -1.6934875200
H             1.1887870090        0.4013961346       -0.9914691543
O            -0.9377434785       -1.4759125870       -3.7839117950
H            -1.1191953040       -1.7400450660       -4.6860710270
H            -0.4610133620       -0.6082550528       -3.8373489210
O            -3.3179192170       -2.1675424980       -0.0188132161
H            -3.2773483820       -1.6265076060       -0.8572932970
H            -4.0896318770       -2.7279806940       -0.0953049544
O             3.2647551530        0.6512781421        2.1767741340
H             3.9924565760        0.8989119883        2.7460586070
H             3.2464247670        1.3140770220        1.4326674500
O            -2.9249740920        2.0823546550        1.2696570060
H            -3.7736908430        2.4853166130        1.4517008370
H            -2.9912716280        1.1439042390        1.6183339170
O             2.8034203850       -1.9334524490        1.2818070710
H             2.9839833020       -1.0399791560        1.6175883740
H             2.8238504960       -1.8680343140        0.3115349161
O            -0.0114278709       -0.0944959561       -0.0118487157
H            -0.7827401617        0.3875143219       -0.3885261982
H            -0.2267241060       -1.0535816270       -0.0519380129
O             0.7746889633       -3.0305011410       -2.2781161040
H             0.2105454749       -2.5172826100       -2.8826551580
H             0.2626506924       -3.0732838390       -1.4510113450
O             3.0781843990        2.3668551560        0.2085793367
H             2.3687497590        3.0132278280        0.3782994156
H             2.7606563970        1.8098195000       -0.5260652593
O             0.5567938195        0.6842005103        2.5033244330
H             1.5254759210        0.6573865283        2.5603957470
H             0.3444845321        0.3969757486        1.5891383920
O            -3.0883648330       -0.7546291201       -2.2056526030
H            -2.7617082800        0.1062909775       -1.8919402520
H            -2.3709114170       -1.1139791890       -2.7565514230
    63
 Energy=    -106.840664475400
O             0.3719183663        0.8068369204       -3.8676383620
H             1.0227363260        0.7324665141       -3.1383406290
H            -0.1296305003        1.6062504220       -3.6859631580
O            -0.6100769661        3.0933922390        2.3604898490
H            -1.4730652600        2.8316940030        1.9941254270
H            -0.1685266844        2.2445825880        2.5743980020
O             0.1777637752        3.0322077590       -1.8120401180
H             0.9247695824        2.4238648230       -1.8674533170
H             0.3604142848        3.5647353560       -1.0160504220
O             0.9506657621        4.0928421400        0.5556540904
H             0.3380944002        3.7171295170        1.2587301040
H             1.1074998720        5.0042646990        0.8006573632
O            -3.1876908450       -0.3638283289        2.0968600350
H            -2.4718105500       -0.6958380118        2.6816619570
H            -3.2532525210       -1.0015967900        1.3678893580
O            -1.8723332880        1.4395105400       -1.1229409180
H            -1.2326034140        2.1200132500       -1.4234499320
H            -2.3092310560        1.7897526240       -0.3228257478
O            -1.0676303300       -1.2564261990        3.5005150690
H            -0.4896035001       -0.4869506902        3.3504430430
H            -0.5656295047       -2.0082485090        3.1552426540
O             0.6652218323       -3.1092600270        2.2784681490
H             1.4679101770       -2.6302127350        1.9415787340
H             0.9828740271       -3.9381595400        2.6359090550
O            -0.6683176516       -2.6773301790       -0.0116131072
H            -1.6379878510       -2.6333788900        0.0743125887
H            -0.3001753517       -2.9441456500        0.8520610698
O             2.9369265010       -1.7859628030       -1.5021956500
H             2.1235156970       -2.2747400100       -1.8156791320
H             3.6874244810       -2.2570566660       -1.8632768020
O             1.8985475890        0.6941744014       -1.6240502850
H             2.4665984610       -0.0937470712       -1.6934899550
H             1.1887876400        0.4014085653       -0.9914675959
O            -0.9377511110       -1.4759214590       -3.7839092620
H            -1.1192240880       -1.7400326490       -4.6860650010
H            -0.4610321441       -0.6082524572       -3.8373265770
O            -3.3179333270       -2.1675628950       -0.0188043065
H            -3.2773609160       -1.6265038740       -0.8572801312
H            -4.0896469320       -2.7279950010       -0.0953019632
O             3.2647396570        0.6512636625        2.1768059490
H             3.9924669850        0.8988593010        2.7460631560
H             3.2464261400        1.3140397690        1.4326713050
O            -2.9249832010        2.0823676390        1.2696402840
H            -3.7737177800        2.4852945790        1.4516556350
H            -2.9912833060        1.1439043190        1.6182794950
O             2.8034837960       -1.9334845040        1.2817968190
H             2.9840067500       -1.0400115930        1.6175830650
H             2.8238652250       -1.8680533510        0.3115325895
O            -0.0114209527       -0.0944721395       -0.0118306329
H            -0.7827283143        0.3875482646       -0.3885263491
H            -0.2267276709       -1.0535534240       -0.0519327375
O             0.7746806098       -3.0305276750       -2.2781193660
H             0.2105445809       -2.5173035340       -2.8826541580
H             0.2626557574       -3.0732888860       -1.4510048040
O             3.0781734830        2.3668460580        0.2085863047
H             2.3687389500        3.0132004440        0.3783154606
H             2.7606506230        1.8098043930       -0.5260553244
O             0.5567726281        0.6842040489        2.5033448840
H             1.5254474660        0.6573949487        2.5604338830
H             0.3444793921        0.3970164696        1.5891486820
O            -3.0883567610       -0.7545970241       -2.2056227730
H            -2.7616543410        0.1062951150       -1.8919223820
H            -2.3709035940       -1.1139652050       -2.7565136800
    63
 Energy=    -106.840664462590
O             0.3718828375        0.8068794727       -3.8676700840
H             1.0226921400        0.7324905851       -3.1383710180
H            -0.1296109053        1.6063328920       -3.6860214600
O            -0.6101872618        3.0934158190        2.3604806900
H            -1.4731613680        2.8317027750        1.9940783120
H            -0.1686372470        2.2446134280        2.5743710700
O             0.1777790399        3.0322221880       -1.8120854770
H             0.9248091203        2.4239080030       -1.8675434940
H             0.3604642948        3.5647426700       -1.0161002170
O             0.9506344267        4.0928241160        0.5556124703
H             0.3380775586        3.7170991040        1.2586943700
H             1.1074227860        5.0042614450        0.8005940525
O            -3.1876476120       -0.3638383155        2.0967910610
H            -2.4717692360       -0.6958301211        2.6815869120
H            -3.2532707490       -1.0016106410        1.3678357310
O            -1.8723226120        1.4395839800       -1.1229644140
H            -1.2325269410        2.1200471410       -1.4234543400
H            -2.3092007330        1.7898549620       -0.3228568102
O            -1.0676082770       -1.2564843650        3.5005176480
H            -0.4895991006       -0.4869928775        3.3504282880
H            -0.5655864528       -2.0082796790        3.1552257980
O             0.6653332326       -3.1092854750        2.2784557520
H             1.4680303140       -2.6302667430        1.9415284960
H             0.9829653223       -3.9381712720        2.6359515590
O            -0.6682951532       -2.6772062820       -0.0115406181
H            -1.6379602030       -2.6333335730        0.0744018836
H            -0.3001324315       -2.9440926320        0.8521045410
O             2.9369465200       -1.7859931040       -1.5022364750
H             2.1235351480       -2.2747962750       -1.8156843100
H             3.6874390000       -2.2571252460       -1.8632619150
O             1.8985657850        0.6941746163       -1.6240428240
H             2.4665706730       -0.0937758325       -1.6935066560
H             1.1887586750        0.4014301192       -0.9914944892
O            -0.9377819192       -1.4758906190       -3.7838562670
H            -1.1193430270       -1.7399276700       -4.6860076540
H            -0.4610713107       -0.6082194227       -3.8372816120
O            -3.3179448970       -2.1676375220       -0.0187854778
H            -3.2773866420       -1.6265138570       -0.8572239705
H            -4.0896933710       -2.7280153540       -0.0952741980
O             3.2646825450        0.6512280054        2.1768725270
H             3.9924783040        0.8987418222        2.7460817050
H             3.2464629370        1.3139470550        1.4326852980
O            -2.9250471600        2.0824112260        1.2696145280
H            -3.7738298750        2.4852549810        1.4515535680
H            -2.9913161950        1.1439190190        1.6181836450
O             2.8036515370       -1.9335840540        1.2817545100
H             2.9840698350       -1.0401062840        1.6175483720
H             2.8239265910       -1.8681170320        0.3114958393
O            -0.0114063358       -0.0944152864       -0.0117850926
H            -0.7826757876        0.3876172151       -0.3885145033
H            -0.2267300010       -1.0535112770       -0.0519023094
O             0.7746621792       -3.0305815240       -2.2780971930
H             0.2105466656       -2.5173328350       -2.8826336280
H             0.2626357634       -3.0732615520       -1.4509841990
O             3.0781411460        2.3667859610        0.2086468505
H             2.3687046520        3.0131414480        0.3783651648
H             2.7606389430        1.8097739920       -0.5260227364
O             0.5566988712        0.6842405862        2.5034039710
H             1.5253723110        0.6573958967        2.5605328520
H             0.3444661128        0.3971021440        1.5891660950
O            -3.0883364550       -0.7545523455       -2.2055859860
H            -2.7615869000        0.1063217939       -1.8918419230
H            -2.3708680020       -1.1139577910       -2.7564227270
    63
 Energy=    -106.840664454110
O             0.3718655783        0.8069053499       -3.8676897000
H             1.0226842720        0.7325045120       -3.1384064810
H            -0.1296187826        1.6063680990       -3.6860570640
O            -0.6102618241        3.0934292620        2.3604674930
H            -1.4732255660        2.8317133700        1.9940574990
H            -0.1686953626        2.2446253760        2.5743647050
O             0.1778015700        3.0322137580       -1.8121026720
H             0.9248346001        2.4239161270       -1.8675909720
H             0.3604900174        3.5647428940       -1.0161155560
O             0.9506246957        4.0928104720        0.5556030222
H             0.3380769108        3.7170709970        1.2586803360
H             1.1073904100        5.0042600790        0.8005387020
O            -3.1876120140       -0.3638342583        2.0967317920
H            -2.4717419810       -0.6958228324        2.6815490690
H            -3.2532563400       -1.0016120630        1.3677777710
O            -1.8723207500        1.4396194020       -1.1229775820
H            -1.2324950090        2.1200517350       -1.4234669890
H            -2.3092027450        1.7898993220       -0.3228743838
O            -1.0676019850       -1.2565170420        3.5005102040
H            -0.4895895082       -0.4870239170        3.3504380530
H            -0.5655639413       -2.0082923180        3.1552146060
O             0.6654050713       -3.1092962820        2.2784496280
H             1.4680968910       -2.6303027930        1.9414778530
H             0.9830269818       -3.9381796320        2.6359724450
O            -0.6682805609       -2.6771383620       -0.0115001853
H            -1.6379471470       -2.6333043940        0.0744447130
H            -0.3001041487       -2.9440638810        0.8521254809
O             2.9369388380       -1.7859947050       -1.5022699270
H             2.1235365610       -2.2748216930       -1.8156896260
H             3.6874515090       -2.2571672430       -1.8632230280
O             1.8985749170        0.6942000107       -1.6240354610
H             2.4665483060       -0.0937733427       -1.6935355550
H             1.1887391360        0.4014604156       -0.9915186315
O            -0.9378007885       -1.4758682580       -3.7837982770
H            -1.1194319710       -1.7398605450       -4.6859531360
H            -0.4610868057       -0.6082081304       -3.8372493230
O            -3.3179374860       -2.1676824440       -0.0187860641
H            -3.2773944900       -1.6265316180       -0.8572004640
H            -4.0897326360       -2.7280159980       -0.0952504107
O             3.2646549400        0.6511983582        2.1769077080
H             3.9924805620        0.8986709169        2.7460966910
H             3.2464937470        1.3138953450        1.4327043800
O            -2.9250999050        2.0824362470        1.2695870230
H            -3.7739157240        2.4852504560        1.4514935230
H            -2.9913303290        1.1439397370        1.6181368900
O             2.8037241830       -1.9336416440        1.2817083450
H             2.9840972580       -1.0401457030        1.6175169870
H             2.8239578240       -1.8681417320        0.3114440681
O            -0.0113850291       -0.0943872445       -0.0117614474
H            -0.7826439838        0.3876571506       -0.3885076132
H            -0.2267129295       -1.0534726700       -0.0518714576
O             0.7746527264       -3.0306111750       -2.2780694190
H             0.2105525174       -2.5173607740       -2.8826084940
H             0.2626141584       -3.0732373800       -1.4509510160
O             3.0781329520        2.3667414490        0.2087027853
H             2.3687095590        3.0131071790        0.3784081704
H             2.7606475060        1.8097625000       -0.5259997094
O             0.5566646354        0.6842658241        2.5034311300
H             1.5253317510        0.6573926828        2.5605985230
H             0.3444567852        0.3971438038        1.5891919810
O            -3.0883278200       -0.7545370268       -2.2055778880
H            -2.7615894370        0.1063245608       -1.8918017870
H            -2.3708392670       -1.1139726910       -2.7563817740
    63
 Energy=    -106.840664400670
O             0.3717280688        0.8069737780       -3.8677166290
H             1.0226844000        0.7326354334       -3.1385468330
H            -0.1297833214        1.6064197060       -3.6860780670
O            -0.6105082174        3.0934582430        2.3602847240
H            -1.4735529860        2.8317703640        1.9940451770
H            -0.1689995774        2.2446612860        2.5743740300
O             0.1779754529        3.0322341310       -1.8122566970
H             0.9250146393        2.4239521130       -1.8678103890
H             0.3606297314        3.5647064220       -1.0162278780
O             0.9506169152        4.0926756800        0.5555761157
H             0.3379553169        3.7170533500        1.2586174630
H             1.1072195340        5.0042217590        0.8002632227
O            -3.1874502020       -0.3637745551        2.0964213510
H            -2.4716650120       -0.6958137507        2.6813066050
H            -3.2531092140       -1.0016067980        1.3675033380
O            -1.8722219070        1.4397612560       -1.1229853650
H            -1.2323260800        2.1200785560       -1.4235784460
H            -2.3091823720        1.7902233010       -0.3230031094
O            -1.0675706130       -1.2566612720        3.5004608860
H            -0.4895352855       -0.4871555928        3.3505675430
H            -0.5655283654       -2.0084167690        3.1551183030
O             0.6657665001       -3.1093432300        2.2783313220
H             1.4685109380       -2.6305451400        1.9412163620
H             0.9833324496       -3.9381382840        2.6360926620
O            -0.6681916642       -2.6768267630       -0.0113260455
H            -1.6378763790       -2.6331439070        0.0745976782
H            -0.2999453209       -2.9439192260        0.8522353122
O             2.9368770080       -1.7860407950       -1.5023859690
H             2.1235142960       -2.2749354340       -1.8157716000
H             3.6874821590       -2.2573104110       -1.8630404070
O             1.8984760880        0.6942965165       -1.6241701370
H             2.4663822900       -0.0937055537       -1.6936181890
H             1.1886456530        0.4015935224       -0.9916138947
O            -0.9377645943       -1.4757943010       -3.7835554480
H            -1.1199341820       -1.7395382090       -4.6856813640
H            -0.4611899484       -0.6080502993       -3.8370386400
O            -3.3179573430       -2.1678762010       -0.0188031317
H            -3.2773702000       -1.6266933030       -0.8571909792
H            -4.0899145850       -2.7279892120       -0.0951712318
O             3.2646288500        0.6509468801        2.1770058420
H             3.9925220260        0.8983357883        2.7461584830
H             3.2465109010        1.3137131420        1.4328684530
O            -2.9253992900        2.0825239870        1.2693992970
H            -3.7743350180        2.4851656830        1.4511376690
H            -2.9914293600        1.1440483810        1.6180316980
O             2.8040495910       -1.9338873570        1.2815011800
H             2.9842117370       -1.0403629120        1.6173955090
H             2.8242048820       -1.8683051230        0.3112215108
O            -0.0112340389       -0.0941601396       -0.0117434089
H            -0.7825120520        0.3878534384       -0.3884846116
H            -0.2266095848       -1.0532486240       -0.0517031612
O             0.7745308687       -3.0307702170       -2.2778211290
H             0.2106416101       -2.5175132660       -2.8825436570
H             0.2624295127       -3.0731026410       -1.4507181040
O             3.0781576060        2.3665692240        0.2089028198
H             2.3686909720        3.0128902480        0.3786574278
H             2.7606962040        1.8096588270       -0.5258588374
O             0.5564919318        0.6843982955        2.5035860390
H             1.5251418130        0.6573727798        2.5609414990
H             0.3443856730        0.3973558608        1.5892940530
O            -3.0882149870       -0.7545634139       -2.2053492570
H            -2.7615922250        0.1063800715       -1.8916760790
H            -2.3706905910       -1.1139777210       -2.7561353970
    63
 Energy=    -106.840664391690
O             0.3716930797        0.8069620380       -3.8677019180
H             1.0226693250        0.7326451735       -3.1385372880
H            -0.1298131368        1.6064079830       -3.6860494310
O            -0.6105281878        3.0934586530        2.3602698900
H            -1.4735745610        2.8317734110        1.9940496420
H            -0.1690359127        2.2446657380        2.5743754650
O             0.1779908265        3.0322598170       -1.8122871520
H             0.9250431891        2.4239900690       -1.8678525310
H             0.3606541474        3.5647046170       -1.0162381400
O             0.9506134313        4.0926594970        0.5555731653
H             0.3379269711        3.7170680370        1.2586100920
H             1.1071982910        5.0042127180        0.8002504137
O            -3.1874578170       -0.3637735150        2.0964014120
H            -2.4716728600       -0.6958145892        2.6812799650
H            -3.2531151610       -1.0016095270        1.3674896240
O            -1.8721894060        1.4397836840       -1.1229913700
H            -1.2322961780        2.1201009690       -1.4235918030
H            -2.3091627840        1.7902770120       -0.3230283817
O            -1.0675701360       -1.2566781480        3.5004504400
H            -0.4895374471       -0.4871597035        3.3505693570
H            -0.5655316636       -2.0084295090        3.1551032480
O             0.6657994431       -3.1093453560        2.2783083090
H             1.4685718190       -2.6305706560        1.9411987240
H             0.9833532901       -3.9381286110        2.6361033690
O            -0.6681855637       -2.6767876420       -0.0112999235
H            -1.6378612400       -2.6331236450        0.0746118291
H            -0.2999334540       -2.9438967310        0.8522433189
O             2.9368849790       -1.7860575640       -1.5023841960
H             2.1235140070       -2.2749494900       -1.8157870870
H             3.6874852450       -2.2573115230       -1.8630512350
O             1.8984515450        0.6942878444       -1.6241931550
H             2.4663653210       -0.0937144921       -1.6936131040
H             1.1886382920        0.4015986002       -0.9916170102
O            -0.9377546592       -1.4758064510       -3.7835510380
H            -1.1199811090       -1.7395219090       -4.6856706650
H            -0.4612158701       -0.6080354190       -3.8370166440
O            -3.3179669370       -2.1678923730       -0.0187981981
H            -3.2773642400       -1.6267065730       -0.8571933789
H            -4.0899156930       -2.7280082810       -0.0951820642
O             3.2646363090        0.6509163513        2.1770132100
H             3.9925311850        0.8983012177        2.7461608290
H             3.2464985130        1.3137021020        1.4328826770
O            -2.9254166620        2.0825243550        1.2693828200
H            -3.7743626600        2.4851445690        1.4510957230
H            -2.9914465980        1.1440495370        1.6180201290
O             2.8041057920       -1.9339152560        1.2814926540
H             2.9842374290       -1.0404035000        1.6173887970
H             2.8242516890       -1.8683395620        0.3112221746
O            -0.0112262175       -0.0941296156       -0.0117335738
H            -0.7825021595        0.3878827623       -0.3884829788
H            -0.2266055934       -1.0532148860       -0.0516900070
O             0.7745137957       -3.0307864830       -2.2777995200
H             0.2106585610       -2.5175357930       -2.8825521200
H             0.2624076348       -3.0730784010       -1.4506952080
O             3.0781549570        2.3665622590        0.2089034245
H             2.3686717930        3.0128561500        0.3786773487
H             2.7606899460        1.8096403720       -0.5258399622
O             0.5564739663        0.6844076679        2.5036057190
H             1.5251186440        0.6573744957        2.5609732850
H             0.3443781020        0.3973909004        1.5893002830
O            -3.0881981720       -0.7545557342       -2.2053022290
H            -2.7615677130        0.1063949126       -1.8916673000
H            -2.3706806260       -1.1139649730       -2.7560992420
    63
 Energy=    -106.840664380090
O             0.3716962817        0.8069634904       -3.8677053930
H             1.0226793810        0.7326552726       -3.1385411360
H            -0.1297965281        1.6064140220       -3.6860403530
O            -0.6105499872        3.0934662590        2.3602636000
H            -1.4736075570        2.8317877660        1.9940584820
H            -0.1690762390        2.2446872830        2.5743649640
O             0.1780158065        3.0322668550       -1.8123446410
H             0.9250838343        2.4240046970       -1.8678900470
H             0.3606739683        3.5646862200       -1.0162652210
O             0.9505934201        4.0926393950        0.5555507199
H             0.3378851667        3.7170860070        1.2585842150
H             1.1071665850        5.0042028370        0.8002031529
O            -3.1874686110       -0.3637810317        2.0963881450
H            -2.4716872060       -0.6958152395        2.6812612390
H            -3.2531114540       -1.0016088000        1.3674733100
O            -1.8721591500        1.4398036730       -1.1229963960
H            -1.2322771440        2.1201264490       -1.4236094070
H            -2.3091432000        1.7903254550       -0.3230400344
O            -1.0675752680       -1.2566954170        3.5004256470
H            -0.4895501528       -0.4871746235        3.3505696970
H            -0.5655259081       -2.0084419000        3.1550773280
O             0.6658441743       -3.1093443680        2.2782846410
H             1.4686493390       -2.6305971140        1.9411685760
H             0.9833780570       -3.9381192860        2.6361256900
O            -0.6681816050       -2.6767522860       -0.0112709308
H            -1.6378420230       -2.6331124610        0.0746288637
H            -0.2999194054       -2.9438730710        0.8522413787
O             2.9368965580       -1.7860752420       -1.5023790600
H             2.1235120690       -2.2749681940       -1.8158006330
H             3.6874845960       -2.2573253640       -1.8630690130
O             1.8984524040        0.6942681240       -1.6242171060
H             2.4663579250       -0.0937319073       -1.6936181270
H             1.1886323820        0.4016033708       -0.9916218864
O            -0.9377634804       -1.4757839670       -3.7835303310
H            -1.1200545760       -1.7394671930       -4.6856431580
H            -0.4612282943       -0.6080106567       -3.8369896220
O            -3.3179701940       -2.1679119420       -0.0187813357
H            -3.2773516370       -1.6267382140       -0.8571882096
H            -4.0899182080       -2.7280388700       -0.0951835416
O             3.2646483580        0.6508778313        2.1770278280
H             3.9925271140        0.8982526593        2.7461735450
H             3.2464682810        1.3136820420        1.4329162320
O            -2.9254526660        2.0825406880        1.2693805350
H            -3.7744186900        2.4851214960        1.4510575350
H            -2.9914783000        1.1440640000        1.6180130400
O             2.8041852910       -1.9339557020        1.2814791410
H             2.9842770770       -1.0404505690        1.6173758390
H             2.8243274090       -1.8683846720        0.3112221997
O            -0.0112321095       -0.0940862586       -0.0117179226
H            -0.7824982355        0.3879120350       -0.3884747194
H            -0.2265935161       -1.0531736380       -0.0516763226
O             0.7745017327       -3.0307897080       -2.2777692860
H             0.2106674220       -2.5175432870       -2.8825560020
H             0.2623781890       -3.0730293960       -1.4506762570
O             3.0781459310        2.3665550110        0.2089183173
H             2.3686482540        3.0128143280        0.3787002283
H             2.7606826640        1.8096079810       -0.5258172968
O             0.5564511601        0.6844135631        2.5036318030
H             1.5251015660        0.6573740881        2.5609909840
H             0.3443649787        0.3974202240        1.5893055510
O            -3.0882011300       -0.7545470741       -2.2052508750
H            -2.7615717740        0.1064070645       -1.8916362780
H            -2.3706620230       -1.1139451340       -2.7560524060
    63
 Energy=    -106.840663886220
O             0.3719721837        0.8067946022       -3.8676635240
H             1.0233661900        0.7323895316       -3.1388913380
H            -0.1301866129        1.6056035340       -3.6849663590
O            -0.6110478285        3.0937484050        2.3603368180
H            -1.4740657650        2.8319184430        1.9941892210
H            -0.1693669432        2.2450813890        2.5745930720
O             0.1785538922        3.0318690310       -1.8129683610
H             0.9257816313        2.4238249720       -1.8686341020
H             0.3610335380        3.5642383440       -1.0168294540
O             0.9501207631        4.0921199280        0.5550963630
H             0.3373504188        3.7168701310        1.2582392290
H             1.1068140520        5.0037752870        0.7993190679
O            -3.1877057600       -0.3636728860        2.0960127660
H            -2.4719871250       -0.6957730740        2.6809383310
H            -3.2532425270       -1.0016159350        1.3671722360
O            -1.8723707280        1.4403321790       -1.1231265800
H            -1.2323972320        2.1204771940       -1.4238885270
H            -2.3093777220        1.7909923620       -0.3232417506
O            -1.0676446040       -1.2571835940        3.4994186250
H            -0.4899551315       -0.4872812207        3.3503416020
H            -0.5649727575       -2.0083737140        3.1537285160
O             0.6667050496       -3.1089416710        2.2779112370
H             1.4697235920       -2.6305523080        1.9407716280
H             0.9838030525       -3.9377323760        2.6360945580
O            -0.6678219404       -2.6760005230       -0.0111450356
H            -1.6375319160       -2.6330901450        0.0747170171
H            -0.2993667708       -2.9433805070        0.8522299514
O             2.9368259350       -1.7859326710       -1.5025005960
H             2.1230611700       -2.2744705830       -1.8155026570
H             3.6869299980       -2.2574114020       -1.8639377900
O             1.8990830980        0.6942578148       -1.6244053570
H             2.4667572330       -0.0939422338       -1.6938522250
H             1.1892860250        0.4019811239       -0.9916567228
O            -0.9379752725       -1.4754576400       -3.7826546330
H            -1.1220675290       -1.7386575600       -4.6845527210
H            -0.4607864672       -0.6080454104       -3.8366479370
O            -3.3177639160       -2.1685109980       -0.0186728086
H            -3.2772384370       -1.6272496930       -0.8569946754
H            -4.0895554870       -2.7288309970       -0.0951295486
O             3.2643727840        0.6497484665        2.1773967350
H             3.9922519870        0.8970708985        2.7465881620
H             3.2460216210        1.3126900450        1.4334505340
O            -2.9261060560        2.0828895260        1.2689999810
H            -3.7753512990        2.4851950100        1.4500278840
H            -2.9920691930        1.1443799420        1.6174818460
O             2.8055504080       -1.9346982480        1.2811071380
H             2.9853486650       -1.0411890020        1.6172824900
H             2.8253953430       -1.8687178440        0.3108383746
O            -0.0110551882       -0.0932075113       -0.0114130519
H            -0.7821355292        0.3889086920       -0.3883634196
H            -0.2267440055       -1.0522170710       -0.0512036227
O             0.7743747511       -3.0303072190       -2.2773450530
H             0.2102764435       -2.5173195400       -2.8820926560
H             0.2624444805       -3.0722485620       -1.4501015880
O             3.0777889580        2.3659421700        0.2095684768
H             2.3681524500        3.0121841170        0.3789469771
H             2.7608300660        1.8090709910       -0.5254336120
O             0.5563162902        0.6847265799        2.5042822400
H             1.5249730980        0.6572769157        2.5615514120
H             0.3441310282        0.3978650120        1.5899444180
O            -3.0883510910       -0.7544880772       -2.2048397600
H            -2.7622482960        0.1066058118       -1.8910571440
H            -2.3703959630       -1.1135706280       -2.7553548150
    63
 Energy=    -106.840663726910
O             0.3719056373        0.8065656488       -3.8674460810
H             1.0233094000        0.7321490473       -3.1387226470
H            -0.1303895909        1.6052562210       -3.6845395860
O            -0.6111234144        3.0938027850        2.3604476930
H            -1.4741093820        2.8318672710        1.9942625170
H            -0.1694737605        2.2451839280        2.5747421000
O             0.1786534650        3.0318836910       -1.8132042970
H             0.9260551520        2.4240348640       -1.8689920130
H             0.3611807288        3.5641958360       -1.0170093170
O             0.9499624812        4.0920373370        0.5550261781
H             0.3371819106        3.7168880670        1.2581787190
H             1.1067066400        5.0036862040        0.7993392332
O            -3.1880627120       -0.3637208315        2.0960288730
H            -2.4722221520       -0.6957270320        2.6808128090
H            -3.2536803630       -1.0016921630        1.3672567160
O            -1.8722213220        1.4406207600       -1.1232582840
H            -1.2322463770        2.1208181310       -1.4239552950
H            -2.3092773830        1.7912701390       -0.3234112405
O            -1.0677123760       -1.2572378970        3.4990554440
H            -0.4901063119       -0.4872056807        3.3501456660
H            -0.5649165240       -2.0083337210        3.1533532760
O             0.6669197889       -3.1087379950        2.2777839910
H             1.4701280370       -2.6305973940        1.9407226410
H             0.9838552691       -3.9375816960        2.6359993390
O            -0.6677409506       -2.6757645190       -0.0111135560
H            -1.6374471890       -2.6329624720        0.0747977872
H            -0.2992035634       -2.9431202800        0.8522305232
O             2.9369580860       -1.7860450810       -1.5025548570
H             2.1230054020       -2.2743642040       -1.8155101950
H             3.6869253360       -2.2572427270       -1.8646022710
O             1.8992059700        0.6941003690       -1.6243716580
H             2.4668512680       -0.0941437757       -1.6936853680
H             1.1893829180        0.4018725310       -0.9916209846
O            -0.9382323513       -1.4755817480       -3.7826898090
H            -1.1224548050       -1.7387270870       -4.6845317740
H            -0.4609447865       -0.6082074252       -3.8365896380
O            -3.3177643510       -2.1686279000       -0.0185932118
H            -3.2772632740       -1.6272328450       -0.8568753589
H            -4.0892407930       -2.7293769580       -0.0953241546
O             3.2643197760        0.6495341388        2.1774274680
H             3.9922379450        0.8968432577        2.7466340870
H             3.2459671370        1.3125337710        1.4335103450
O            -2.9260562240        2.0828531890        1.2689696850
H            -3.7753858630        2.4852028020        1.4497474860
H            -2.9921886610        1.1443259900        1.6173537000
O             2.8061230150       -1.9350287220        1.2812522430
H             2.9857885470       -1.0414970860        1.6174061360
H             2.8258355780       -1.8690264620        0.3109956178
O            -0.0110807001       -0.0928474377       -0.0112717369
H            -0.7821091290        0.3892760190       -0.3883458713
H            -0.2267661524       -1.0518664410       -0.0511728342
O             0.7743315487       -3.0301560080       -2.2773003510
H             0.2102944136       -2.5172416040       -2.8821777790
H             0.2625003418       -3.0720756390       -1.4499658060
O             3.0776233630        2.3658030440        0.2097187694
H             2.3678341970        3.0118814910        0.3789824582
H             2.7607350730        1.8089281970       -0.5253511321
O             0.5562062187        0.6848650021        2.5043707010
H             1.5248243050        0.6572635534        2.5618115920
H             0.3440858166        0.3981593677        1.5899731850
O            -3.0883724440       -0.7543034284       -2.2046104780
H            -2.7621318180        0.1067419775       -1.8909126890
H            -2.3704589360       -1.1134127690       -2.7551172240
    63
 Energy=    -106.840663262270
O             0.3721056779        0.8052562555       -3.8670054950
H             1.0239055850        0.7308788241       -3.1385520150
H            -0.1305813398        1.6035369220       -3.6834184910
O            -0.6115034697        3.0940937070        2.3606563620
H            -1.4742591350        2.8318490570        1.9941941710
H            -0.1696808313        2.2456677650        2.5754784730
O             0.1790161766        3.0315053000       -1.8136318030
H             0.9258829439        2.4229529740       -1.8688880610
H             0.3612632293        3.5635657740       -1.0172563150
O             0.9494833661        4.0916733600        0.5548427550
H             0.3366709174        3.7165211310        1.2580203780
H             1.1065820670        5.0031789320        0.7994102670
O            -3.1889016250       -0.3633817888        2.0956053630
H            -2.4726083160       -0.6955137573        2.6798694330
H            -3.2552570920       -1.0015843570        1.3670502270
O            -1.8722209120        1.4411441080       -1.1238258990
H            -1.2321069790        2.1212677320       -1.4243530560
H            -2.3090505320        1.7913584410       -0.3236120309
O            -1.0682231450       -1.2569858010        3.4977285940
H            -0.4904921374       -0.4869277507        3.3495477880
H            -0.5651008847       -2.0079317660        3.1521745440
O             0.6678976186       -3.1081593320        2.2773352860
H             1.4713469680       -2.6304649080        1.9401265860
H             0.9843783090       -3.9371897570        2.6354910450
O            -0.6673754744       -2.6745035970       -0.0110072397
H            -1.6370904070       -2.6320073710        0.0753190872
H            -0.2984650518       -2.9419434370        0.8521643409
O             2.9372970760       -1.7858692860       -1.5031152670
H             2.1232981610       -2.2741688070       -1.8158545420
H             3.6870011610       -2.2563407070       -1.8667166950
O             1.8995700090        0.6940118402       -1.6241143960
H             2.4675267490       -0.0940808241       -1.6929325200
H             1.1894218270        0.4018608608       -0.9916483046
O            -0.9394764576       -1.4757953480       -3.7822875090
H            -1.1238578730       -1.7390649870       -4.6841176470
H            -0.4617176840       -0.6086775021       -3.8365386980
O            -3.3176865540       -2.1689827780       -0.0184785067
H            -3.2775543490       -1.6270934660       -0.8564306022
H            -4.0880970430       -2.7310356730       -0.0960452048
O             3.2639108110        0.6488233674        2.1780009040
H             3.9919855950        0.8961760868        2.7469177300
H             3.2454275600        1.3117131650        1.4339750090
O            -2.9259308520        2.0827246260        1.2684957230
H            -3.7750573990        2.4854640770        1.4490761170
H            -2.9924531220        1.1443476550        1.6173102940
O             2.8077101560       -1.9358077910        1.2813377640
H             2.9866076620       -1.0421401070        1.6176919660
H             2.8269693090       -1.8697200660        0.3110883815
O            -0.0110047746       -0.0916621514       -0.0113664668
H            -0.7823856950        0.3900503787       -0.3882849190
H            -0.2261567131       -1.0507762940       -0.0513155262
O             0.7743077237       -3.0296370060       -2.2773295310
H             0.2100462025       -2.5164386330       -2.8817524840
H             0.2625327570       -3.0718115370       -1.4500195360
O             3.0773063890        2.3650766010        0.2105913243
H             2.3674779250        3.0110583680        0.3800223667
H             2.7609216870        1.8086288580       -0.5249719982
O             0.5561271633        0.6853613825        2.5047134480
H             1.5247340350        0.6570081406        2.5625457420
H             0.3442830709        0.3994774137        1.5899537760
O            -3.0887228320       -0.7538423793       -2.2036356130
H            -2.7622701910        0.1072602703       -1.8902079550
H            -2.3711959160       -1.1131968080       -2.7545114370
    63
 Energy=    -106.840662735510
O             0.3714265018        0.8037847626       -3.8660307700
H             1.0234310360        0.7294799485       -3.1378044880
H            -0.1307517283        1.6024699580       -3.6828232340
O            -0.6120611758        3.0945088980        2.3611008710
H            -1.4746695070        2.8319688190        1.9944278440
H            -0.1700702660        2.2462511870        2.5760773880
O             0.1797002242        3.0318587800       -1.8141128130
H             0.9265932960        2.4234083370       -1.8695117120
H             0.3618906905        3.5636495630       -1.0175014360
O             0.9491611623        4.0911757290        0.5552020125
H             0.3360005510        3.7165992970        1.2583709680
H             1.1065810850        5.0026976230        0.7994606325
O            -3.1904339500       -0.3634432932        2.0955415540
H            -2.4738779180       -0.6954099817        2.6794428660
H            -3.2569801100       -1.0014901110        1.3669494260
O            -1.8717878710        1.4418725620       -1.1242717870
H            -1.2316658620        2.1220787270       -1.4248225690
H            -2.3084642650        1.7920470410       -0.3240552458
O            -1.0687285160       -1.2568278520        3.4966342720
H            -0.4912173736       -0.4866017182        3.3484267200
H            -0.5653838220       -2.0077111420        3.1514222800
O             0.6687061793       -3.1078349190        2.2768373320
H             1.4726971120       -2.6307102710        1.9400868440
H             0.9844524517       -3.9371025790        2.6351091290
O            -0.6671049894       -2.6729968590       -0.0108009139
H            -1.6368136500       -2.6306346920        0.0756866723
H            -0.2979142621       -2.9407064280        0.8521611361
O             2.9380620140       -1.7863623220       -1.5032207480
H             2.1239407710       -2.2744800020       -1.8160247820
H             3.6877279790       -2.2550379480       -1.8690615270
O             1.8999197520        0.6936457708       -1.6239636990
H             2.4674126870       -0.0947825645       -1.6924063050
H             1.1895747260        0.4021738127       -0.9913757770
O            -0.9408295450       -1.4768379170       -3.7825020990
H            -1.1247994640       -1.7399924080       -4.6843808150
H            -0.4631425129       -0.6096254300       -3.8361993130
O            -3.3177839870       -2.1693247910       -0.0181264629
H            -3.2776602350       -1.6269088950       -0.8558094954
H            -4.0867034610       -2.7332412690       -0.0972733433
O             3.2638817890        0.6481924168        2.1785328360
H             3.9921337800        0.8955769190        2.7472382600
H             3.2450908530        1.3111942890        1.4345645420
O            -2.9255486930        2.0826045520        1.2683267350
H            -3.7746337190        2.4856154580        1.4485875580
H            -2.9927300970        1.1441000730        1.6167576840
O             2.8098165780       -1.9367253850        1.2813919410
H             2.9879219350       -1.0428647410        1.6175574530
H             2.8292936230       -1.8706925310        0.3111721764
O            -0.0110489388       -0.0906351247       -0.0111402824
H            -0.7822813377        0.3910403234       -0.3884149474
H            -0.2262222246       -1.0498324200       -0.0510497110
O             0.7742066790       -3.0291804760       -2.2774693570
H             0.2097798776       -2.5166837390       -2.8823355680
H             0.2625361724       -3.0708605930       -1.4499843940
O             3.0769268060        2.3647525720        0.2113146578
H             2.3669479340        3.0105606110        0.3805984897
H             2.7605711670        1.8082910100       -0.5243284830
O             0.5561553161        0.6860191036        2.5048964320
H             1.5247058230        0.6570087823        2.5628173550
H             0.3442159800        0.4004118378        1.5901362430
O            -3.0893167490       -0.7532569489       -2.2029164320
H            -2.7621261830        0.1075915011       -1.8896655000
H            -2.3721990160       -1.1130773110       -2.7539368190
    63
 Energy=    -106.840659413910
O             0.3690165576        0.8013197778       -3.8642475290
H             1.0212745590        0.7277266225       -3.1361165350
H            -0.1323518567        1.6008042680       -3.6824457120
O            -0.6131268862        3.0951298800        2.3622565660
H            -1.4753934080        2.8321144030        1.9950592070
H            -0.1707514322        2.2471004620        2.5772626560
O             0.1811721426        3.0332446250       -1.8142465850
H             0.9288443489        2.4258611670       -1.8710186170
H             0.3629792408        3.5639578340       -1.0168148740
O             0.9492455949        4.0906244050        0.5563983264
H             0.3359553274        3.7165278900        1.2597155890
H             1.1071161990        5.0021922420        0.8002008600
O            -3.1928401790       -0.3633669179        2.0950331180
H            -2.4764461540       -0.6951211682        2.6791926300
H            -3.2592131090       -1.0018328720        1.3667749830
O            -1.8711579370        1.4430188500       -1.1254577830
H            -1.2308654300        2.1232045550       -1.4255005830
H            -2.3080157030        1.7930223980       -0.3252047071
O            -1.0697031500       -1.2564628330        3.4944616730
H            -0.4921310350       -0.4861483081        3.3466645010
H            -0.5653355701       -2.0073671570        3.1507885480
O             0.6698639456       -3.1072098680        2.2766960900
H             1.4743735770       -2.6311654140        1.9397760660
H             0.9842516387       -3.9374188740        2.6339903470
O            -0.6668971671       -2.6708293160       -0.0104699066
H            -1.6366799070       -2.6287944660        0.0762281097
H            -0.2974858998       -2.9389643570        0.8522712683
O             2.9390773420       -1.7863600550       -1.5039580820
H             2.1250492500       -2.2748280380       -1.8162974710
H             3.6888247330       -2.2532167460       -1.8720358520
O             1.9000627940        0.6933967368       -1.6236814880
H             2.4666559120       -0.0957348142       -1.6924376150
H             1.1900225660        0.4029671306       -0.9902426054
O            -0.9432228291       -1.4798593160       -3.7828265870
H            -1.1260384760       -1.7425130810       -4.6851391980
H            -0.4655190084       -0.6126548476       -3.8352598510
O            -3.3176908160       -2.1696950570       -0.0182691072
H            -3.2782398290       -1.6266691520       -0.8556142759
H            -4.0842254610       -2.7365885560       -0.0990939216
O             3.2645015150        0.6473703395        2.1790772270
H             3.9926624490        0.8944153554        2.7480462220
H             3.2459443990        1.3106765390        1.4354174220
O            -2.9252496620        2.0824851180        1.2672828530
H            -3.7738823070        2.4861939210        1.4480700850
H            -2.9931334630        1.1440057470        1.6155545660
O             2.8123266410       -1.9378430430        1.2809147680
H             2.9901110070       -1.0438560980        1.6169487640
H             2.8324754850       -1.8719465670        0.3107243263
O            -0.0107772139       -0.0886439265       -0.0103415589
H            -0.7814987901        0.3931372887       -0.3885432785
H            -0.2259482292       -1.0478521970       -0.0501224609
O             0.7745741490       -3.0290266850       -2.2772496830
H             0.2095128693       -2.5186278320       -2.8832688510
H             0.2631582271       -3.0688103910       -1.4495563720
O             3.0768245490        2.3645560440        0.2122992812
H             2.3665566480        3.0100891350        0.3816897438
H             2.7605355630        1.8078175700       -0.5231153047
O             0.5558454852        0.6869401751        2.5053978830
H             1.5243440660        0.6574304327        2.5635439350
H             0.3440437516        0.4013828030        1.5905323530
O            -3.0903699920       -0.7528872892       -2.2024305610
H            -2.7624443700        0.1078688512       -1.8897781400
H            -2.3740561590       -1.1135297220       -2.7539753870
    63
 Energy=    -106.840659010820
O             0.3688140781        0.8011521011       -3.8641146230
H             1.0210829170        0.7276546781       -3.1359660510
H            -0.1326830533        1.6006092980       -3.6824396240
O            -0.6131688659        3.0951555990        2.3622745900
H            -1.4754179970        2.8320995560        1.9950667750
H            -0.1707907702        2.2471010280        2.5773966990
O             0.1812221483        3.0333990080       -1.8142012520
H             0.9289804129        2.4261130150       -1.8711367800
H             0.3630103873        3.5639908730       -1.0166772820
O             0.9493300553        4.0905866400        0.5565794641
H             0.3360117053        3.7164993570        1.2598433280
H             1.1071738280        5.0021815430        0.8003146517
O            -3.1929985970       -0.3633568295        2.0949978620
H            -2.4765211620       -0.6950922336        2.6791180650
H            -3.2592581320       -1.0018717710        1.3667306470
O            -1.8711444740        1.4430721770       -1.1256032950
H            -1.2307964760        2.1232725760       -1.4255290370
H            -2.3080152140        1.7929810610       -0.3253284222
O            -1.0697335460       -1.2564306900        3.4943625410
H            -0.4921825390       -0.4861270553        3.3466178710
H            -0.5653321585       -2.0073402520        3.1507610310
O             0.6699104906       -3.1071839230        2.2767101420
H             1.4743960340       -2.6311611310        1.9397251760
H             0.9842614377       -3.9374611440        2.6338633390
O            -0.6668744541       -2.6706713710       -0.0104266090
H            -1.6366695650       -2.6287334340        0.0762241289
H            -0.2974730332       -2.9388912690        0.8522996843
O             2.9390798450       -1.7863160090       -1.5040283090
H             2.1251134650       -2.2748038920       -1.8163592430
H             3.6888623070       -2.2531845320       -1.8720917760
O             1.9000624810        0.6934494010       -1.6236065430
H             2.4666133320       -0.0956820921       -1.6925226710
H             1.1900123860        0.4030531064       -0.9901668582
O            -0.9433016452       -1.4801026820       -3.7828223080
H            -1.1261193260       -1.7427325310       -4.6851801460
H            -0.4656215239       -0.6128736922       -3.8351970000
O            -3.3177064510       -2.1696662270       -0.0183227514
H            -3.2782558320       -1.6267014990       -0.8556483695
H            -4.0840947570       -2.7367198810       -0.0991890245
O             3.2645440510        0.6473129621        2.1791017180
H             3.9926917280        0.8943443077        2.7480918120
H             3.2460543690        1.3106004460        1.4354474830
O            -2.9252580390        2.0825001260        1.2671594380
H            -3.7738280930        2.4862626120        1.4480468950
H            -2.9931440350        1.1440422890        1.6154465370
O             2.8123927520       -1.9378690810        1.2808188690
H             2.9901582140       -1.0438830060        1.6168982750
H             2.8325064110       -1.8719385640        0.3106270565
O            -0.0107294255       -0.0885241089       -0.0103327940
H            -0.7814543148        0.3932641774       -0.3884951965
H            -0.2258778652       -1.0477144250       -0.0500467160
O             0.7746390207       -3.0290325140       -2.2771607320
H             0.2095179238       -2.5188068190       -2.8832467890
H             0.2632274180       -3.0687832780       -1.4494697020
O             3.0769097880        2.3645692650        0.2123024183
H             2.3666178150        3.0100469810        0.3817998559
H             2.7605750120        1.8078069130       -0.5230879264
O             0.5558606477        0.6870375682        2.5054606390
H             1.5243589610        0.6574458435        2.5636259070
H             0.3440434798        0.4014354357        1.5905998120
O            -3.0904712630       -0.7528859017       -2.2025270870
H            -2.7624594440        0.1078765705       -1.8898430850
H            -2.3741417450       -1.1136170750       -2.7540352240
    63
 Energy=    -106.840656290130
O             0.3666221948        0.7990764522       -3.8624350680
H             1.0175115500        0.7265495822       -3.1329071840
H            -0.1343344599        1.5995247900       -3.6839048490
O            -0.6135561325        3.0955622970        2.3636622890
H            -1.4754049860        2.8326251820        1.9954683250
H            -0.1711148817        2.2475151370        2.5786488790
O             0.1821175814        3.0347743570       -1.8136122700
H             0.9307107933        2.4287981430       -1.8731295220
H             0.3643395227        3.5640584740       -1.0152925490
O             0.9495815892        4.0907868990        0.5581597234
H             0.3358358056        3.7171414970        1.2612555580
H             1.1077011120        5.0023365620        0.8018901185
O            -3.1945266540       -0.3632513944        2.0952295410
H            -2.4777111890       -0.6950449022        2.6788730640
H            -3.2610277230       -1.0015108190        1.3668461110
O            -1.8707130490        1.4435192000       -1.1269578410
H            -1.2298059160        2.1232910690       -1.4265804170
H            -2.3079881100        1.7938625240       -0.3271405410
O            -1.0705609950       -1.2562730910        3.4935399960
H            -0.4932398620       -0.4857180337        3.3462198820
H            -0.5658028046       -2.0069260540        3.1499678280
O             0.6707128040       -3.1069856960        2.2763896190
H             1.4753196370       -2.6312278560        1.9392968120
H             0.9848578867       -3.9378992980        2.6322719890
O            -0.6660610135       -2.6696173260       -0.0103565467
H            -1.6359334250       -2.6278343740        0.0753218986
H            -0.2970781175       -2.9374996800        0.8526801862
O             2.9402629040       -1.7857702660       -1.5058414910
H             2.1259394780       -2.2743700920       -1.8170611070
H             3.6894437210       -2.2536554080       -1.8738126950
O             1.9004194290        0.6941471423       -1.6238256600
H             2.4673566240       -0.0947376858       -1.6926376030
H             1.1904853350        0.4040588401       -0.9901909923
O            -0.9448934590       -1.4827200710       -3.7830889590
H            -1.1275225010       -1.7447370570       -4.6856323500
H            -0.4672528564       -0.6154792571       -3.8348394230
O            -3.3174092700       -2.1704709100       -0.0191274421
H            -3.2792744590       -1.6273841520       -0.8563935736
H            -4.0825589980       -2.7392553370       -0.0997856982
O             3.2651548720        0.6465161053        2.1795080910
H             3.9928615560        0.8932234505        2.7491989090
H             3.2469311910        1.3103023280        1.4363195640
O            -2.9258709270        2.0824573630        1.2665923440
H            -3.7737802830        2.4873385020        1.4481799010
H            -2.9947364430        1.1442073480        1.6151183160
O             2.8134432010       -1.9385337020        1.2802368020
H             2.9912229000       -1.0446984930        1.6167025170
H             2.8329752360       -1.8722909070        0.3100880281
O            -0.0108130030       -0.0873586203       -0.0096013632
H            -0.7812691549        0.3943631907       -0.3883229473
H            -0.2265697541       -1.0464512920       -0.0489823795
O             0.7752734765       -3.0296805950       -2.2757867500
H             0.2099707397       -2.5205837750       -2.8825629980
H             0.2639944627       -3.0679979330       -1.4478553310
O             3.0778166690        2.3639267180        0.2126871695
H             2.3677480030        3.0094710250        0.3826320311
H             2.7614846660        1.8077746670       -0.5231826822
O             0.5566455453        0.6878176735        2.5065910970
H             1.5252069480        0.6576657915        2.5640148560
H             0.3441374653        0.4035548019        1.5915054220
O            -3.0917224000       -0.7528515543       -2.2035418600
H            -2.7629549120        0.1079534756       -1.8919415820
H            -2.3760860590       -1.1146273560       -2.7552557130
    63
 Energy=    -106.840655981870
O             0.3662145946        0.7987523044       -3.8621839520
H             1.0172308540        0.7263552472       -3.1326707280
H            -0.1350263279        1.5991410750       -3.6837469460
O            -0.6136387622        3.0955367330        2.3637426120
H            -1.4753770220        2.8325982070        1.9954058040
H            -0.1712035459        2.2475695890        2.5788787570
O             0.1820619396        3.0350412710       -1.8133961530
H             0.9307231750        2.4291313830       -1.8733005450
H             0.3644585576        3.5640762110       -1.0149294060
O             0.9497976494        4.0906756060        0.5584838392
H             0.3359876188        3.7170232960        1.2615231810
H             1.1078667690        5.0022412500        0.8021524423
O            -3.1946085100       -0.3631913792        2.0950861670
H            -2.4777591540       -0.6949970220        2.6785970890
H            -3.2610270080       -1.0014571350        1.3667109650
O            -1.8707925030        1.4435028640       -1.1272064490
H            -1.2297975520        2.1232867870       -1.4266868100
H            -2.3080980900        1.7937402300       -0.3273597054
O            -1.0706353000       -1.2561754670        3.4933804470
H            -0.4933017043       -0.4856547870        3.3462205480
H            -0.5658430482       -2.0068678510        3.1499037630
O             0.6707845973       -3.1069466350        2.2764411730
H             1.4752866790       -2.6311982420        1.9391441960
H             0.9849802140       -3.9379892770        2.6319731630
O            -0.6659750394       -2.6693729640       -0.0103078027
H            -1.6358599200       -2.6276296190        0.0752749648
H            -0.2970171390       -2.9373140610        0.8527258564
O             2.9402370690       -1.7855504800       -1.5060696500
H             2.1260111420       -2.2743152180       -1.8171696020
H             3.6894572360       -2.2536028450       -1.8737649400
O             1.9004515170        0.6944014857       -1.6237450250
H             2.4673725410       -0.0944690197       -1.6927839420
H             1.1904926780        0.4043569420       -0.9901502728
O            -0.9450892861       -1.4831736340       -3.7829834100
H            -1.1276628550       -1.7451778900       -4.6855518320
H            -0.4673784413       -0.6158667145       -3.8347410190
O            -3.3174220140       -2.1704232890       -0.0193093528
H            -3.2793053890       -1.6274526620       -0.8565393195
H            -4.0824259490       -2.7394063920       -0.0999200032
O             3.2652412590        0.6463534295        2.1795709370
H             3.9929018130        0.8930807267        2.7493018720
H             3.2470451690        1.3101299390        1.4364078630
O            -2.9258969000        2.0824735670        1.2662692740
H            -3.7736760970        2.4875385400        1.4481250280
H            -2.9947635360        1.1442684450        1.6149363820
O             2.8133486660       -1.9384642430        1.2799676110
H             2.9911615190       -1.0446494210        1.6166013730
H             2.8328165650       -1.8721549160        0.3098061657
O            -0.0106753587       -0.0871696738       -0.0095945397
H            -0.7811283923        0.3945047973       -0.3883054959
H            -0.2264506351       -1.0462374640       -0.0488422736
O             0.7753455492       -3.0297805000       -2.2755536550
H             0.2099780005       -2.5208744910       -2.8823843500
H             0.2641440653       -3.0680841080       -1.4476606740
O             3.0780742880        2.3638756420        0.2127347268
H             2.3680771280        3.0094308910        0.3829402598
H             2.7616602000        1.8078338460       -0.5231715475
O             0.5567850046        0.6879362382        2.5067489830
H             1.5253315640        0.6576884370        2.5641946430
H             0.3441914823        0.4037362265        1.5917055040
O            -3.0918718040       -0.7529248455       -2.2037659390
H            -2.7630291910        0.1079143647       -1.8922296760
H            -2.3762695270       -1.1148657240       -2.7554210930
    63
 Energy=    -106.840648812690
O             0.3577442121        0.7910734888       -3.8569193320
H             1.0110802310        0.7243242146       -3.1288686980
H            -0.1490471989        1.5881236060       -3.6791801860
O            -0.6163130720        3.0957784610        2.3656687070
H            -1.4759557100        2.8301067650        1.9938995440
H            -0.1728648950        2.2495969530        2.5845678640
O             0.1801739340        3.0395174240       -1.8077703990
H             0.9299445617        2.4360083810       -1.8761375440
H             0.3657109606        3.5632098780       -1.0065472330
O             0.9570431533        4.0869837200        0.5663540969
H             0.3399393494        3.7140282710        1.2668283020
H             1.1116291930        4.9995984120        0.8083267077
O            -3.1958891680       -0.3607859557        2.0893930800
H            -2.4792153080       -0.6921692752        2.6728614590
H            -3.2622664230       -0.9997751879        1.3610635770
O            -1.8717734390        1.4420363360       -1.1326804250
H            -1.2315227360        2.1240977770       -1.4288503570
H            -2.3113143090        1.7904184750       -0.3332917546
O            -1.0712857860       -1.2542410820        3.4906871540
H            -0.4922797262       -0.4841824311        3.3466077000
H            -0.5665370030       -2.0049477870        3.1474818210
O             0.6716764607       -3.1067431160        2.2759484880
H             1.4741625040       -2.6291592590        1.9363698890
H             0.9881112963       -3.9398810230        2.6245690890
O            -0.6638464533       -2.6640919600       -0.0084109204
H            -1.6338443080       -2.6214675270        0.0760127280
H            -0.2964165895       -2.9330729330        0.8550719821
O             2.9402375340       -1.7803353230       -1.5103258690
H             2.1266794110       -2.2716165730       -1.8192603200
H             3.6902420460       -2.2516318720       -1.8721748870
O             1.9010630030        0.7005844896       -1.6242798890
H             2.4673296310       -0.0884910344       -1.6955698980
H             1.1930471700        0.4113223842       -0.9880163945
O            -0.9489983445       -1.4938254230       -3.7800268580
H            -1.1315634250       -1.7554725410       -4.6827005310
H            -0.4716613790       -0.6263077137       -3.8313033420
O            -3.3166848700       -2.1701409360       -0.0232245891
H            -3.2801809560       -1.6283685040       -0.8614417290
H            -4.0795360470       -2.7421719410       -0.1034117730
O             3.2670197350        0.6422489407        2.1813066250
H             3.9936566510        0.8899385964        2.7519499090
H             3.2500016390        1.3053430030        1.4373032450
O            -2.9253497950        2.0841686050        1.2617387180
H            -3.7710628930        2.4922131700        1.4464491470
H            -2.9958324060        1.1461016010        1.6104473620
O             2.8089730360       -1.9359925700        1.2719899250
H             2.9887678350       -1.0442491020        1.6127372510
H             2.8301431180       -1.8662066560        0.3019741234
O            -0.0081129389       -0.0813630501       -0.0080541007
H            -0.7792349542        0.3974626890       -0.3889379047
H            -0.2208542399       -1.0410949280       -0.0477857598
O             0.7773502538       -3.0327940990       -2.2721323550
H             0.2082000110       -2.5262703580       -2.8777205030
H             0.2685080619       -3.0713127670       -1.4426455880
O             3.0851635140        2.3622296160        0.2169599572
H             2.3770010420        3.0087922330        0.3904372329
H             2.7670021390        1.8101311400       -0.5212299378
O             0.5590765692        0.6899366763        2.5108926500
H             1.5275995970        0.6579975070        2.5691611370
H             0.3468150870        0.4080178408        1.5952683370
O            -3.0970955040       -0.7561239757       -2.2100464950
H            -2.7672284030        0.1041835620       -1.8983772610
H            -2.3808135580       -1.1205297110       -2.7594954910
    63
 Energy=    -106.840646103510
O             0.3596731833        0.7904022390       -3.8577601790
H             1.0128756440        0.7238332963       -3.1300225340
H            -0.1446318757        1.5891429750       -3.6801338330
O            -0.6158136856        3.0959871990        2.3655204350
H            -1.4758175760        2.8307936100        1.9942447790
H            -0.1728193818        2.2498114510        2.5849828070
O             0.1790928851        3.0383991890       -1.8078934950
H             0.9282123707        2.4341962210       -1.8760470490
H             0.3648049959        3.5611564700       -1.0060100790
O             0.9572020899        4.0863335680        0.5655793070
H             0.3401176815        3.7136695960        1.2661360790
H             1.1115473380        4.9990915550        0.8076777578
O            -3.1968066460       -0.3609736251        2.0882942020
H            -2.4790895600       -0.6906791591        2.6726632560
H            -3.2624296990       -0.9988309311        1.3605164090
O            -1.8736905960        1.4412331700       -1.1326548190
H            -1.2341216440        2.1232168220       -1.4287568210
H            -2.3123403290        1.7891352080       -0.3328128850
O            -1.0711045370       -1.2539429180        3.4904778060
H            -0.4922615486       -0.4837786346        3.3458245290
H            -0.5662320205       -2.0046035920        3.1469277340
O             0.6717909965       -3.1064565370        2.2761208260
H             1.4736453390       -2.6289626860        1.9353826530
H             0.9887374693       -3.9398558900        2.6236507530
O            -0.6632339252       -2.6642620060       -0.0080397161
H            -1.6330119330       -2.6203088960        0.0763715773
H            -0.2960374329       -2.9330916010        0.8556419210
O             2.9408793890       -1.7797190050       -1.5114099790
H             2.1267990650       -2.2710721460       -1.8195464380
H             3.6907652260       -2.2519577760       -1.8722183840
O             1.9034714950        0.7013328868       -1.6238038410
H             2.4675622210       -0.0891556093       -1.6950935910
H             1.1945410800        0.4118374942       -0.9881910181
O            -0.9506612919       -1.4927820670       -3.7787906470
H            -1.1326931680       -1.7551141950       -4.6813966220
H            -0.4722189205       -0.6259957975       -3.8307529400
O            -3.3169449980       -2.1698377280       -0.0230651313
H            -3.2805759260       -1.6294320080       -0.8624299119
H            -4.0787322620       -2.7428734270       -0.1031640825
O             3.2673662350        0.6416342473        2.1818166760
H             3.9931182140        0.8898821080        2.7533548010
H             3.2504347040        1.3051064520        1.4380109880
O            -2.9258420520        2.0849097460        1.2621952430
H            -3.7712584200        2.4930449860        1.4477697420
H            -2.9965493590        1.1467975670        1.6109266320
O             2.8083823390       -1.9361473780        1.2710793390
H             2.9885905290       -1.0441720930        1.6117566620
H             2.8305352190       -1.8653104310        0.3010323677
O            -0.0075229257       -0.0813940321       -0.0089028527
H            -0.7787321194        0.3972814443       -0.3891469477
H            -0.2203537928       -1.0413315060       -0.0487139719
O             0.7775973349       -3.0314623440       -2.2723753890
H             0.2078224665       -2.5254205840       -2.8771187030
H             0.2689120326       -3.0717698000       -1.4424480850
O             3.0865923210        2.3619966370        0.2181728454
H             2.3782937570        3.0083032770        0.3920502230
H             2.7675986900        1.8108155380       -0.5197535816
O             0.5593050407        0.6908570521        2.5113614680
H             1.5271896100        0.6575890435        2.5696531620
H             0.3466589844        0.4087543316        1.5955029330
O            -3.0996164760       -0.7573726496       -2.2100018490
H            -2.7699286410        0.1033642032       -1.8989302250
H            -2.3825321000       -1.1210849280       -2.7598008280
    63
 Energy=    -106.840644783650
O             0.3568888571        0.7875085351       -3.8561072320
H             1.0121261260        0.7232795046       -3.1296811110
H            -0.1495233583        1.5839748890       -3.6769575200
O            -0.6161798653        3.0959807580        2.3666020240
H            -1.4749564630        2.8311982610        1.9923192500
H            -0.1741220900        2.2489776460        2.5860094520
O             0.1777010227        3.0393268410       -1.8054589260
H             0.9270730567        2.4354998380       -1.8759075960
H             0.3640155249        3.5604484580       -1.0024145110
O             0.9593000449        4.0844270980        0.5680533997
H             0.3419153470        3.7122937180        1.2686367550
H             1.1132520480        4.9973074960        0.8094196474
O            -3.1958418920       -0.3598858628        2.0867253510
H            -2.4785114090       -0.6903042286        2.6703364630
H            -3.2615090670       -0.9982728973        1.3583718700
O            -1.8739589700        1.4384806090       -1.1337911040
H            -1.2355155420        2.1223470630       -1.4291897900
H            -2.3143633840        1.7868688480       -0.3348367103
O            -1.0727232680       -1.2527752180        3.4871686060
H            -0.4931083403       -0.4830057560        3.3448318240
H            -0.5659733972       -2.0041262020        3.1479754930
O             0.6721983726       -3.1059689000        2.2765129180
H             1.4736358570       -2.6287043270        1.9339863970
H             0.9894270946       -3.9404091070        2.6212029720
O            -0.6629135642       -2.6615841900       -0.0075876583
H            -1.6325607610       -2.6184985760        0.0762730795
H            -0.2962526869       -2.9315312730        0.8560720261
O             2.9400253700       -1.7775389880       -1.5132045200
H             2.1268140720       -2.2696139840       -1.8218168410
H             3.6909990050       -2.2504216260       -1.8709664930
O             1.9034138760        0.7039510177       -1.6240060430
H             2.4674745190       -0.0865194793       -1.6963745950
H             1.1953432930        0.4151150463       -0.9880581174
O            -0.9511096526       -1.4961934390       -3.7775017950
H            -1.1334206470       -1.7592478470       -4.6797751120
H            -0.4732738103       -0.6290028395       -3.8292660680
O            -3.3159793030       -2.1698109840       -0.0242934232
H            -3.2813930120       -1.6290921470       -0.8633714901
H            -4.0776523450       -2.7433689580       -0.1037890482
O             3.2673493200        0.6413299916        2.1831172530
H             3.9936744810        0.8879739589        2.7545864850
H             3.2527541140        1.3045971040        1.4392150570
O            -2.9251544960        2.0854529970        1.2595687010
H            -3.7697449560        2.4945656510        1.4471780050
H            -2.9964630320        1.1471453540        1.6077035590
O             2.8069829020       -1.9351208250        1.2682672820
H             2.9879340780       -1.0436359610        1.6096436200
H             2.8276583370       -1.8635185920        0.2985515230
O            -0.0061185496       -0.0795002159       -0.0079293145
H            -0.7775619809        0.3984084179       -0.3891660553
H            -0.2192521524       -1.0392226760       -0.0477083068
O             0.7779347926       -3.0332348360       -2.2707262780
H             0.2083379825       -2.5281643780       -2.8767413260
H             0.2695389902       -3.0707900730       -1.4407883190
O             3.0895491380        2.3615381380        0.2195631888
H             2.3810972790        3.0075120340        0.3945863999
H             2.7693307840        1.8114355900       -0.5191364932
O             0.5595435677        0.6914572724        2.5125014860
H             1.5280311510        0.6578567267        2.5707898050
H             0.3473857855        0.4099128984        1.5965913730
O            -3.1013466300       -0.7572247898       -2.2117511240
H            -2.7711575860        0.1031892296       -1.9007707010
H            -2.3845528730       -1.1223142140       -2.7597781610
    63
 Energy=    -106.840638304720
O             0.3459964421        0.7831443573       -3.8486655560
H             1.0054797470        0.7225473554       -3.1255608280
H            -0.1697156781        1.5726832000       -3.6636411240
O            -0.6176738515        3.0943679510        2.3685374440
H            -1.4745797920        2.8309090400        1.9887276570
H            -0.1758205590        2.2474334250        2.5879838130
O             0.1734909050        3.0427147470       -1.7993624700
H             0.9254367160        2.4431931060       -1.8775872710
H             0.3624729886        3.5605959920       -0.9950279016
O             0.9644733040        4.0794136200        0.5751152824
H             0.3451624658        3.7090050130        1.2752627850
H             1.1193351160        4.9926119060        0.8146675080
O            -3.1929292250       -0.3582140107        2.0804424350
H            -2.4768505800       -0.6903214714        2.6650400830
H            -3.2597020740       -0.9972566836        1.3527842200
O            -1.8735481660        1.4363196850       -1.1381143990
H            -1.2343514070        2.1209124880       -1.4310093670
H            -2.3167073570        1.7834798100       -0.3400555119
O            -1.0743373380       -1.2524513010        3.4848494540
H            -0.4951458952       -0.4825416719        3.3416787050
H            -0.5668741214       -2.0043657660        3.1488484130
O             0.6728685681       -3.1059417490        2.2764487580
H             1.4740855590       -2.6278540610        1.9345623410
H             0.9898837336       -3.9420187040        2.6175094340
O            -0.6622545007       -2.6542370490       -0.0067242418
H            -1.6328781900       -2.6148731830        0.0739765072
H            -0.2971982305       -2.9260987860        0.8568677548
O             2.9362663560       -1.7723660390       -1.5171717060
H             2.1251575090       -2.2687152570       -1.8251004040
H             3.6894718870       -2.2452012700       -1.8702274890
O             1.9018144630        0.7104104846       -1.6261666670
H             2.4672766650       -0.0789510553       -1.6996569660
H             1.1961657640        0.4205380432       -0.9875790502
O            -0.9502248320       -1.5079534110       -3.7751058270
H            -1.1310892320       -1.7691881020       -4.6781752960
H            -0.4756016943       -0.6389565884       -3.8251864240
O            -3.3153790750       -2.1696088950       -0.0276884423
H            -3.2828256890       -1.6272950360       -0.8659357154
H            -4.0767861450       -2.7438362000       -0.1049344678
O             3.2689808570        0.6410276128        2.1859455570
H             3.9980168640        0.8815900268        2.7565406360
H             3.2560349750        1.3048717360        1.4424472200
O            -2.9230107720        2.0861820960        1.2525579430
H            -3.7666463910        2.4962423600        1.4421900300
H            -2.9937420170        1.1478399660        1.6009152880
O             2.8040252520       -1.9321370190        1.2643915780
H             2.9856041000       -1.0415221840        1.6068198340
H             2.8199228660       -1.8593974230        0.2944480896
O            -0.0033536554       -0.0732698238       -0.0059182128
H            -0.7750406845        0.4030681182       -0.3888810422
H            -0.2150701454       -1.0333306170       -0.0432145545
O             0.7789857820       -3.0397372400       -2.2668958200
H             0.2101940391       -2.5385547080       -2.8770245300
H             0.2706342987       -3.0679585080       -1.4367154680
O             3.0948077430        2.3609583960        0.2207160635
H             2.3858815350        3.0062287770        0.3964942008
H             2.7758191040        1.8120722800       -0.5194505565
O             0.5609079142        0.6909288877        2.5141875520
H             1.5291900340        0.6597267598        2.5728733850
H             0.3498745983        0.4113055158        1.5972725700
O            -3.1026515820       -0.7557587674       -2.2154937900
H            -2.7694863380        0.1034916201       -1.9045901590
H            -2.3857318280       -1.1251441960       -2.7607318040
    63
 Energy=    -106.840635177600
O             0.3468436376        0.7828437399       -3.8491676510
H             1.0063076900        0.7221453197       -3.1262176260
H            -0.1678574895        1.5728604960       -3.6636800440
O            -0.6178233681        3.0946824080        2.3684531510
H            -1.4745733420        2.8310510630        1.9886804970
H            -0.1758908782        2.2476378740        2.5877940590
O             0.1728997847        3.0421719240       -1.7992464160
H             0.9245370539        2.4418642940       -1.8773532010
H             0.3619095608        3.5598061560       -0.9945746723
O             0.9645638198        4.0789211890        0.5749888093
H             0.3457047467        3.7088495320        1.2756287590
H             1.1194441390        4.9922107120        0.8142372103
O            -3.1928161310       -0.3580888390        2.0799155490
H            -2.4769982300       -0.6900503913        2.6646756710
H            -3.2598136010       -0.9971052427        1.3522163290
O            -1.8742113610        1.4351233800       -1.1377306950
H            -1.2354104910        2.1197645050       -1.4308429060
H            -2.3173259600        1.7830816710       -0.3400056863
O            -1.0744169650       -1.2523963530        3.4851619650
H            -0.4954753916       -0.4823120658        3.3408410890
H            -0.5668431406       -2.0040895700        3.1486619350
O             0.6731032639       -3.1059036860        2.2763761090
H             1.4744425740       -2.6277776250        1.9347675150
H             0.9901773855       -3.9420004400        2.6171739330
O            -0.6622457514       -2.6539962940       -0.0067968498
H            -1.6327519590       -2.6148682960        0.0736586018
H            -0.2973528944       -2.9257266990        0.8567967724
O             2.9361541370       -1.7721137830       -1.5177320120
H             2.1251671270       -2.2687208320       -1.8256939720
H             3.6895077440       -2.2450459250       -1.8702359360
O             1.9024316480        0.7109093388       -1.6255272130
H             2.4678647320       -0.0782513221       -1.6996291690
H             1.1962065320        0.4202242343       -0.9878695615
O            -0.9505443031       -1.5076159940       -3.7745995170
H            -1.1314985700       -1.7693689720       -4.6775128580
H            -0.4756618272       -0.6387735165       -3.8247356310
O            -3.3150819950       -2.1697270810       -0.0274580063
H            -3.2833258400       -1.6272273570       -0.8655801903
H            -4.0763267970       -2.7441507380       -0.1044598872
O             3.2691182500        0.6405832146        2.1863203330
H             3.9978133580        0.8812156216        2.7573648380
H             3.2563019920        1.3050996260        1.4435038490
O            -2.9231890610        2.0863459700        1.2519467130
H            -3.7664045420        2.4966798120        1.4426767750
H            -2.9935109850        1.1483122060        1.6013117890
O             2.8039737970       -1.9321869210        1.2639438780
H             2.9856005580       -1.0413812930        1.6062415210
H             2.8193018760       -1.8590503040        0.2940234601
O            -0.0030232612       -0.0728529161       -0.0061575184
H            -0.7751621369        0.4029525910       -0.3889834722
H            -0.2147909361       -1.0329540900       -0.0426416278
O             0.7791271688       -3.0391689340       -2.2667593700
H             0.2103610987       -2.5385780570       -2.8772669540
H             0.2706611732       -3.0672763330       -1.4365181200
O             3.0952696700        2.3608673180        0.2213026090
H             2.3860856260        3.0060591910        0.3964118902
H             2.7764510360        1.8124761790       -0.5192046535
O             0.5607703312        0.6906034345        2.5140374850
H             1.5292643570        0.6600337711        2.5727347450
H             0.3501076977        0.4113262055        1.5969542710
O            -3.1038576600       -0.7556015009       -2.2160001680
H            -2.7702795700        0.1034509120       -1.9046151970
H            -2.3864980240       -1.1250349150       -2.7604958500
    63
 Energy=    -106.840633605580
O             0.3474748281        0.7829170935       -3.8493484450
H             1.0070383110        0.7218793628       -3.1266513640
H            -0.1662745504        1.5735698870       -3.6636852480
O            -0.6179861920        3.0949456830        2.3682601020
H            -1.4745053120        2.8310440060        1.9887727270
H            -0.1758167287        2.2477180970        2.5875877300
O             0.1724413784        3.0420745830       -1.7993676150
H             0.9238112128        2.4416714970       -1.8779378370
H             0.3617600556        3.5593474500       -0.9944740046
O             0.9644283598        4.0788033230        0.5746160090
H             0.3458456252        3.7087968350        1.2755069640
H             1.1192861360        4.9921291920        0.8138596586
O            -3.1927792190       -0.3580444093        2.0800938660
H            -2.4772238200       -0.6899654577        2.6646304740
H            -3.2599242940       -0.9971640546        1.3521318810
O            -1.8743644390        1.4347261220       -1.1374804030
H            -1.2360518150        2.1195399710       -1.4307655580
H            -2.3175244130        1.7829889510       -0.3398823996
O            -1.0745409760       -1.2521604410        3.4852846340
H            -0.4955583901       -0.4822325667        3.3406413700
H            -0.5666919523       -2.0040905520        3.1485474250
O             0.6731998183       -3.1059327230        2.2764065110
H             1.4745905460       -2.6277860250        1.9348097800
H             0.9902390760       -3.9419191970        2.6170800970
O            -0.6623127304       -2.6541180560       -0.0068138623
H            -1.6326345130       -2.6149626360        0.0736060458
H            -0.2973900547       -2.9257638040        0.8567436580
O             2.9362498610       -1.7722602120       -1.5177584530
H             2.1252078890       -2.2687751030       -1.8258512100
H             3.6895510270       -2.2452892110       -1.8701142180
O             1.9029061420        0.7107457208       -1.6252118940
H             2.4681793960       -0.0782820183       -1.6994924910
H             1.1962259900        0.4198933209       -0.9879944188
O            -0.9506366212       -1.5070407760       -3.7743667790
H            -1.1317101850       -1.7691464170       -4.6772239400
H            -0.4756737654       -0.6382537253       -3.8246294280
O            -3.3149223990       -2.1697737540       -0.0272967772
H            -3.2834959500       -1.6272419310       -0.8653790612
H            -4.0761743710       -2.7443173190       -0.1042566973
O             3.2691022160        0.6404049656        2.1863524500
H             3.9975701750        0.8812434664        2.7576380990
H             3.2563469320        1.3051753850        1.4438215400
O            -2.9233151390        2.0863730860        1.2519479550
H            -3.7664292560        2.4968001590        1.4430906190
H            -2.9935194660        1.1484419590        1.6016765760
O             2.8040279490       -1.9324666740        1.2637352000
H             2.9857273480       -1.0413608910        1.6061252890
H             2.8192387720       -1.8591397280        0.2940091138
O            -0.0029199106       -0.0728983328       -0.0063115873
H            -0.7753062901        0.4027299977       -0.3890597315
H            -0.2148736001       -1.0329643070       -0.0424913829
O             0.7791372785       -3.0387763480       -2.2668257610
H             0.2104669645       -2.5383111210       -2.8773363990
H             0.2705587325       -3.0670437040       -1.4365253940
O             3.0953089510        2.3607993710        0.2214227923
H             2.3860583600        3.0060649210        0.3963037154
H             2.7765335470        1.8126300330       -0.5190832615
O             0.5607610178        0.6905223903        2.5140290490
H             1.5292825470        0.6600799753        2.5726559800
H             0.3501126489        0.4112849645        1.5968229250
O            -3.1042381810       -0.7556694569       -2.2161623630
H            -2.7706066650        0.1034825637       -1.9045860720
H            -2.3867567880       -1.1249157810       -2.7603366970
    63
 Energy=    -106.840607489170
O             0.3265573440        0.7806232655       -3.8344326060
H             0.9911372143        0.7267072538       -3.1153155630
H            -0.1989621577        1.5625913400       -3.6442102430
O            -0.6179121850        3.0914027370        2.3693428800
H            -1.4751212080        2.8274506820        1.9908333090
H            -0.1769610680        2.2436798360        2.5900409250
O             0.1686457282        3.0494274240       -1.7969873270
H             0.9244276503        2.4552828370       -1.8824780380
H             0.3540403721        3.5590612170       -0.9860032772
O             0.9665420592        4.0748383400        0.5770073180
H             0.3463089049        3.7059145910        1.2769822600
H             1.1301419140        4.9853532720        0.8209825832
O            -3.1886861550       -0.3574872999        2.0730041570
H            -2.4759870260       -0.6916755031        2.6598618720
H            -3.2562443390       -0.9955710737        1.3446259800
O            -1.8712300930        1.4378506540       -1.1430702230
H            -1.2302865870        2.1226301900       -1.4327415980
H            -2.3147939630        1.7857856410       -0.3455962961
O            -1.0752588040       -1.2539326150        3.4828006550
H            -0.4907130851       -0.4867893711        3.3429343490
H            -0.5698229525       -2.0081689090        3.1482427450
O             0.6708892916       -3.1065993010        2.2787549250
H             1.4716974940       -2.6278023980        1.9377706560
H             0.9876338227       -3.9441524560        2.6178458040
O            -0.6591835187       -2.6446989680       -0.0061018753
H            -1.6294452670       -2.6047534910        0.0689640889
H            -0.2976404127       -2.9182347060        0.8581116410
O             2.9315631440       -1.7690199190       -1.5185128190
H             2.1212650400       -2.2682449060       -1.8233742860
H             3.6849860230       -2.2375946310       -1.8769104050
O             1.9070332390        0.7155038249       -1.6287230710
H             2.4677278630       -0.0768553883       -1.7046227780
H             1.2023752330        0.4293776100       -0.9884807846
O            -0.9470891371       -1.5207395380       -3.7745167650
H            -1.1220494440       -1.7768900480       -4.6802641040
H            -0.4743469054       -0.6497260807       -3.8175051860
O            -3.3173836790       -2.1702637630       -0.0324481335
H            -3.2862843400       -1.6273978660       -0.8703395546
H            -4.0803434920       -2.7421878060       -0.1077707215
O             3.2703693050        0.6426318526        2.1900859880
H             4.0071164580        0.8723904146        2.7552072430
H             3.2598466940        1.3071236370        1.4472401340
O            -2.9200565360        2.0880723300        1.2480943670
H            -3.7668551400        2.4945204610        1.4315398910
H            -2.9883845660        1.1500497210        1.5978577920
O             2.7994892850       -1.9271180460        1.2642768680
H             2.9832218930       -1.0365908850        1.6080235040
H             2.8157939070       -1.8522304020        0.2944099012
O            -0.0002536436       -0.0670514916       -0.0079081474
H            -0.7750257761        0.4082174899       -0.3866093225
H            -0.2137555910       -1.0273212050       -0.0421761669
O             0.7797678159       -3.0491862150       -2.2635410990
H             0.2098584220       -2.5548457670       -2.8784936960
H             0.2715759440       -3.0680501610       -1.4325646740
O             3.1013895190        2.3603134340        0.2216496795
H             2.3895366980        3.0034966870        0.3939087843
H             2.7870627280        1.8107991040       -0.5196883641
O             0.5599017958        0.6894623927        2.5126758630
H             1.5286142300        0.6606811900        2.5764914250
H             0.3539969910        0.4164451698        1.5926915200
O            -3.1022125080       -0.7576913854       -2.2193839490
H            -2.7671897150        0.1000561459       -1.9049321600
H            -2.3845236270       -1.1281115470       -2.7630463950
    63
 Energy=    -106.840591725780
O             0.3009020541        0.7802688757       -3.8190968590
H             0.9733788596        0.7333704017       -3.1066673790
H            -0.2313037511        1.5560258190       -3.6237879540
O            -0.6158808387        3.0910226130        2.3751098690
H            -1.4736684320        2.8307059910        1.9955536290
H            -0.1753132257        2.2423448090        2.5912407920
O             0.1734296579        3.0503076780       -1.7948812140
H             0.9327616937        2.4620144730       -1.8800148500
H             0.3579632818        3.5634852520       -0.9867577806
O             0.9676680765        4.0710828530        0.5808303073
H             0.3451255442        3.7027148600        1.2793439000
H             1.1402501230        4.9782114070        0.8312127202
O            -3.1839828510       -0.3563937688        2.0679535850
H            -2.4702197260       -0.6908679746        2.6538185670
H            -3.2510796330       -0.9952404660        1.3401979980
O            -1.8713669290        1.4425413470       -1.1459273280
H            -1.2297715000        2.1259616740       -1.4366593440
H            -2.3128439540        1.7914854820       -0.3474375622
O            -1.0755229990       -1.2579099000        3.4834889000
H            -0.4911250833       -0.4919464643        3.3413945820
H            -0.5719661353       -2.0131856860        3.1481670270
O             0.6672742384       -3.1089024380        2.2788615500
H             1.4670336470       -2.6274761510        1.9391306390
H             0.9861825983       -3.9441320450        2.6201351090
O            -0.6599640639       -2.6364037120       -0.0057198853
H            -1.6307833180       -2.5998580820        0.0711346746
H            -0.2993771539       -2.9132489710        0.8577421849
O             2.9257085920       -1.7652766520       -1.5197879560
H             2.1165765310       -2.2692529130       -1.8208062450
H             3.6786033500       -2.2249717250       -1.8896861060
O             1.9093547820        0.7216453246       -1.6314185990
H             2.4640206420       -0.0752696039       -1.7109828280
H             1.2046746890        0.4381052337       -0.9892780418
O            -0.9451416194       -1.5371487850       -3.7777397940
H            -1.1133527150       -1.7876229980       -4.6865527620
H            -0.4830848569       -0.6604152619       -3.8104381610
O            -3.3182591680       -2.1721964910       -0.0377406483
H            -3.2850807260       -1.6333817700       -0.8779534279
H            -4.0854338940       -2.7394841680       -0.1095820515
O             3.2727551180        0.6455939849        2.1941103850
H             4.0199876540        0.8676205917        2.7483710350
H             3.2621371390        1.3096191140        1.4510335250
O            -2.9192726520        2.0893136770        1.2443398320
H            -3.7706962190        2.4905346430        1.4178398830
H            -2.9868030080        1.1510777750        1.5933058670
O             2.7938464920       -1.9202945990        1.2690770160
H             2.9769697110       -1.0304360630        1.6137647060
H             2.8144081410       -1.8468745490        0.2996082301
O             0.0036277377       -0.0573875577       -0.0100151586
H            -0.7696106806        0.4158582606       -0.3939712198
H            -0.2053965616       -1.0179962000       -0.0485521063
O             0.7816294290       -3.0591342130       -2.2595109850
H             0.2105393442       -2.5701944300       -2.8772908840
H             0.2728437268       -3.0782117600       -1.4290858940
O             3.1065194910        2.3606680880        0.2230813144
H             2.3927162190        3.0014366540        0.3960826181
H             2.7939880630        1.8121192210       -0.5201407000
O             0.5616064485        0.6875968180        2.5157834090
H             1.5295004580        0.6591893810        2.5785449760
H             0.3552590899        0.4162105020        1.5952619880
O            -3.0961931700       -0.7590857474       -2.2246462550
H            -2.7594398560        0.0981714464       -1.9125406240
H            -2.3807967970       -1.1353455050       -2.7673407360
    63
 Energy=    -106.840552567170
O             0.2663981855        0.7830390365       -3.7984474380
H             0.9485659087        0.7343632289       -3.0957596530
H            -0.2713030526        1.5507396700       -3.5867779190
O            -0.6160018882        3.0886880010        2.3772435850
H            -1.4743450900        2.8297769340        1.9986766680
H            -0.1772275291        2.2406562620        2.5987881580
O             0.1784440366        3.0711889460       -1.7996104020
H             0.9418466419        2.4901619030       -1.9025345050
H             0.3683548097        3.5763578880       -0.9876297653
O             0.9755950207        4.0677816600        0.5891277017
H             0.3517440738        3.6983447280        1.2855007430
H             1.1469304770        4.9744137160        0.8427738001
O            -3.1772154430       -0.3572504678        2.0619546290
H            -2.4679343380       -0.6939842058        2.6518303290
H            -3.2478818160       -1.0005787310        1.3385876460
O            -1.8645848410        1.4525016670       -1.1565397700
H            -1.2271705220        2.1449027270       -1.4342938170
H            -2.3101968750        1.7856668300       -0.3529874164
O            -1.0768977830       -1.2609175120        3.4848560200
H            -0.4937456513       -0.4940125923        3.3432474260
H            -0.5716339981       -2.0153410430        3.1492998840
O             0.6645497385       -3.1128215960        2.2770773820
H             1.4644541560       -2.6280929380        1.9420411860
H             0.9857625837       -3.9455551400        2.6220884620
O            -0.6608447575       -2.6295211220       -0.0069748111
H            -1.6315968760       -2.6001682590        0.0685711515
H            -0.2991083438       -2.9100883040        0.8551511637
O             2.9199666740       -1.7667432960       -1.5178120410
H             2.1142705190       -2.2783256660       -1.8148020090
H             3.6750905230       -2.2163661690       -1.8951579820
O             1.9063682960        0.7271081084       -1.6377342530
H             2.4597191720       -0.0706349376       -1.7144233260
H             1.2061103840        0.4475198066       -0.9895502373
O            -0.9410383337       -1.5534427640       -3.7825270600
H            -1.1032550900       -1.8012833140       -4.6930175170
H            -0.4889869201       -0.6709591167       -3.8088789760
O            -3.3214528240       -2.1709234590       -0.0404697558
H            -3.2810500500       -1.6324513510       -0.8804910351
H            -4.0901864820       -2.7347912070       -0.1173770044
O             3.2774240590        0.6476693141        2.1909332320
H             4.0321510640        0.8676758519        2.7359625130
H             3.2640964550        1.3096083890        1.4458949160
O            -2.9184409570        2.0883394860        1.2382561010
H            -3.7735685280        2.4847815030        1.4037447960
H            -2.9851474440        1.1498196630        1.5859803230
O             2.7899359710       -1.9181389530        1.2765719070
H             2.9705209260       -1.0270648720        1.6187045040
H             2.8101594830       -1.8474289580        0.3066629777
O             0.0060881115       -0.0517237017       -0.0093775140
H            -0.7626987463        0.4256818253       -0.3974812531
H            -0.2075437585       -1.0110225700       -0.0488167421
O             0.7790263691       -3.0770470610       -2.2526117430
H             0.2145020590       -2.5829748330       -2.8720736550
H             0.2675937908       -3.0888123430       -1.4235279910
O             3.1064765130        2.3600808760        0.2193166648
H             2.3929064810        2.9993848040        0.3983751443
H             2.7906631840        1.8139452910       -0.5245130752
O             0.5631329425        0.6833846110        2.5220997070
H             1.5309707630        0.6605553579        2.5830886230
H             0.3576769870        0.4120838851        1.6015216010
O            -3.0804530760       -0.7610971622       -2.2295629260
H            -2.7406178620        0.0973201941       -1.9249110020
H            -2.3688563830       -1.1432209170       -2.7737468680
    63
 Energy=    -106.840540980130
O             0.2619266007        0.7831291441       -3.7961497560
H             0.9449351592        0.7348349507       -3.0941154480
H            -0.2789312881        1.5483482640       -3.5826035870
O            -0.6168410350        3.0883907110        2.3779712700
H            -1.4743778410        2.8288033810        1.9985635060
H            -0.1781895637        2.2403432190        2.5998401260
O             0.1804367711        3.0752549750       -1.8009668050
H             0.9441297383        2.4951972650       -1.9052461190
H             0.3702107645        3.5788767630       -0.9882851090
O             0.9770537149        4.0678735070        0.5908556369
H             0.3540390242        3.6979732260        1.2875016740
H             1.1472232480        4.9745906280        0.8446988783
O            -3.1766554800       -0.3576631769        2.0611909260
H            -2.4679530790       -0.6947105511        2.6516943330
H            -3.2475866850       -1.0016327740        1.3384135450
O            -1.8620847650        1.4535446200       -1.1572054980
H            -1.2259929340        2.1477520990       -1.4332084140
H            -2.3102464180        1.7847482950       -0.3541750521
O            -1.0771881630       -1.2614248500        3.4848939410
H            -0.4938818247       -0.4940539792        3.3442236480
H            -0.5715006938       -2.0151811530        3.1496154460
O             0.6643747629       -3.1133377060        2.2771857160
H             1.4642078030       -2.6283167990        1.9421651610
H             0.9857060373       -3.9459406710        2.6221948810
O            -0.6607636003       -2.6290738610       -0.0072689103
H            -1.6317820700       -2.6002959760        0.0678937501
H            -0.2989601672       -2.9096898460        0.8544894675
O             2.9188204330       -1.7670687400       -1.5172601950
H             2.1139775670       -2.2799878630       -1.8141618060
H             3.6750192740       -2.2154130400       -1.8949485960
O             1.9063069300        0.7282471334       -1.6380826050
H             2.4587434150       -0.0702338268       -1.7149374850
H             1.2057144370        0.4491000017       -0.9903318411
O            -0.9399384572       -1.5557881230       -3.7836196730
H            -1.1021034860       -1.8033603770       -4.6937527660
H            -0.4895680651       -0.6724091967       -3.8097920280
O            -3.3215574190       -2.1708197060       -0.0409081995
H            -3.2805644330       -1.6310436500       -0.8799500843
H            -4.0907517890       -2.7338029300       -0.1191070695
O             3.2780005940        0.6482775154        2.1898694520
H             4.0334575250        0.8679032752        2.7342393660
H             3.2640623160        1.3093550920        1.4440139870
O            -2.9182251920        2.0877479550        1.2359879420
H            -3.7731534860        2.4838187130        1.4019346280
H            -2.9846274770        1.1498398510        1.5854136560
O             2.7896095730       -1.9183944030        1.2769733480
H             2.9702246030       -1.0265884340        1.6190489980
H             2.8093656890       -1.8477866990        0.3077103054
O             0.0055974803       -0.0509664532       -0.0086886181
H            -0.7624380646        0.4264507649       -0.3969234308
H            -0.2091687607       -1.0103956820       -0.0481591049
O             0.7790938001       -3.0785429810       -2.2511595770
H             0.2149787322       -2.5850628740       -2.8714277980
H             0.2666018106       -3.0902480290       -1.4226344900
O             3.1060709800        2.3595618870        0.2184413146
H             2.3928149150        2.9990926890        0.3987988931
H             2.7889982020        1.8143213970       -0.5257350836
O             0.5631490077        0.6829236385        2.5231874460
H             1.5310108930        0.6608498260        2.5837442000
H             0.3584768137        0.4116796108        1.6024923420
O            -3.0780518090       -0.7615381994       -2.2302629570
H            -2.7378981460        0.0969183659       -1.9262333190
H            -2.3668453190       -1.1442186110       -2.7744368780
    63
 Energy=    -106.840536529790
O             0.2565096817        0.7824759303       -3.7940985390
H             0.9401892012        0.7358285051       -3.0927184900
H            -0.2882072807        1.5443999870       -3.5786891980
O            -0.6177364131        3.0880500490        2.3790181610
H            -1.4744536930        2.8273276290        1.9978883860
H            -0.1794727100        2.2400270140        2.6008817060
O             0.1836165090        3.0800179620       -1.8018414120
H             0.9472875767        2.5004775500       -1.9075259770
H             0.3726065685        3.5819621540       -0.9877879529
O             0.9783981443        4.0687143620        0.5932855938
H             0.3563133619        3.6975057090        1.2898687530
H             1.1475585310        4.9754168060        0.8473765785
O            -3.1761828560       -0.3585574958        2.0606866970
H            -2.4678620500       -0.6951454856        2.6518398190
H            -3.2476582560       -1.0027001860        1.3380199910
O            -1.8585422010        1.4547414850       -1.1576989820
H            -1.2238346450        2.1505192630       -1.4322061250
H            -2.3097797420        1.7844796320       -0.3562310286
O            -1.0774117450       -1.2616505640        3.4851007230
H            -0.4941394328       -0.4941681591        3.3455668980
H            -0.5712374502       -2.0152242540        3.1498774500
O             0.6642840785       -3.1136395050        2.2772639240
H             1.4639902510       -2.6285373390        1.9421360320
H             0.9855726701       -3.9464830760        2.6221498540
O            -0.6611697232       -2.6287269390       -0.0074929431
H            -1.6318981240       -2.6004597580        0.0672266337
H            -0.2987043356       -2.9094721690        0.8541399528
O             2.9176061120       -1.7669757880       -1.5167939540
H             2.1136549390       -2.2814354930       -1.8135524250
H             3.6747326250       -2.2142897520       -1.8938788010
O             1.9057168120        0.7291563017       -1.6383344450
H             2.4571949210       -0.0695891333       -1.7159575590
H             1.2041267160        0.4508406989       -0.9908094848
O            -0.9384682284       -1.5586211970       -3.7846912920
H            -1.1010891090       -1.8061288240       -4.6950547050
H            -0.4899536475       -0.6745336860       -3.8113223800
O            -3.3216717190       -2.1705359770       -0.0416956782
H            -3.2795451640       -1.6290804530       -0.8794745544
H            -4.0915719200       -2.7328774780       -0.1210933768
O             3.2785880620        0.6489949827        2.1884384400
H             4.0345635140        0.8681685826        2.7322917550
H             3.2636790220        1.3090360430        1.4413580580
O            -2.9177647260        2.0865563730        1.2331225810
H            -3.7725512690        2.4832186260        1.3998366030
H            -2.9835830200        1.1493598090        1.5844700320
O             2.7893889630       -1.9184123510        1.2778133900
H             2.9700330360       -1.0267381250        1.6190424920
H             2.8084913090       -1.8481094220        0.3080415637
O             0.0050352146       -0.0506520590       -0.0074245146
H            -0.7626683136        0.4271851153       -0.3960722601
H            -0.2109409315       -1.0094941250       -0.0471217741
O             0.7794070355       -3.0799435990       -2.2495638220
H             0.2154554971       -2.5876171910       -2.8709553860
H             0.2658492875       -3.0915964140       -1.4217947560
O             3.1053176010        2.3588091630        0.2169422755
H             2.3927936960        2.9988685220        0.3991274107
H             2.7867874560        1.8148600440       -0.5270539205
O             0.5635848914        0.6826070182        2.5243441160
H             1.5315280780        0.6613057102        2.5849535110
H             0.3586309179        0.4112948651        1.6036212400
O            -3.0751028980       -0.7618976121       -2.2308398670
H            -2.7343259130        0.0968036634       -1.9275647090
H            -2.3644536590       -1.1449583460       -2.7748808230
    63
 Energy=    -106.840528099300
O             0.2531813879        0.7819721644       -3.7932619150
H             0.9374095581        0.7359692350       -3.0927887680
H            -0.2924200391        1.5430386440       -3.5765550520
O            -0.6180817213        3.0878622670        2.3800172240
H            -1.4743997070        2.8268074260        1.9976310520
H            -0.1803197882        2.2396659940        2.6016984820
O             0.1860313073        3.0818036960       -1.8020933820
H             0.9491496909        2.5015659850       -1.9078499200
H             0.3746973296        3.5832678190       -0.9874199578
O             0.9790351455        4.0695321380        0.5947219618
H             0.3574073298        3.6972833690        1.2911580050
H             1.1481055760        4.9760814640        0.8490516153
O            -3.1760103680       -0.3590735218        2.0604009290
H            -2.4676405730       -0.6952522101        2.6519024300
H            -3.2476539330       -1.0029898120        1.3374021730
O            -1.8567701180        1.4551761190       -1.1578512970
H            -1.2227267440        2.1518909070       -1.4316755010
H            -2.3096877640        1.7846602160       -0.3573453597
O            -1.0773659530       -1.2620480490        3.4852316100
H            -0.4943278943       -0.4942560626        3.3464400600
H            -0.5712332897       -2.0151727210        3.1499731370
O             0.6642521340       -3.1138171320        2.2773481010
H             1.4638922820       -2.6285764860        1.9420762600
H             0.9855652980       -3.9467155310        2.6221373530
O            -0.6611706412       -2.6287238270       -0.0075087404
H            -1.6321630170       -2.6005453130        0.0667848860
H            -0.2986526448       -2.9094525010        0.8538605640
O             2.9165956000       -1.7664041950       -1.5165958710
H             2.1133610600       -2.2820006470       -1.8131166130
H             3.6744005900       -2.2129401240       -1.8937651590
O             1.9051764470        0.7297767025       -1.6384739150
H             2.4567540940       -0.0690347210       -1.7166856320
H             1.2031273550        0.4519149929       -0.9912433666
O            -0.9377816332       -1.5606969090       -3.7852996790
H            -1.1008073690       -1.8081595490       -4.6956467240
H            -0.4906504281       -0.6756865518       -3.8123498180
O            -3.3217491190       -2.1704162100       -0.0422758241
H            -3.2789251660       -1.6279825820       -0.8792988984
H            -4.0921114240       -2.7324893290       -0.1220303188
O             3.2788706320        0.6495108144        2.1879290670
H             4.0352627030        0.8682605260        2.7313151240
H             3.2633932140        1.3089557520        1.4401429460
O            -2.9177128300        2.0860370500        1.2316228680
H            -3.7723199820        2.4831176100        1.3984686780
H            -2.9827313320        1.1491017760        1.5839658050
O             2.7891391290       -1.9184863630        1.2776815310
H             2.9701118460       -1.0264261060        1.6190824700
H             2.8077740570       -1.8480512990        0.3084208246
O             0.0047540313       -0.0502159015       -0.0068854421
H            -0.7628087520        0.4275627025       -0.3955885968
H            -0.2117405780       -1.0090828480       -0.0466177914
O             0.7797113416       -3.0806942120       -2.2487609080
H             0.2156279465       -2.5892147840       -2.8708333940
H             0.2656415281       -3.0921985210       -1.4213376210
O             3.1048436500        2.3586154590        0.2163399284
H             2.3928479810        2.9989988820        0.3995610877
H             2.7856611040        1.8154120440       -0.5274728421
O             0.5639331437        0.6825119525        2.5246967120
H             1.5319349040        0.6615850818        2.5860063790
H             0.3585823453        0.4112342561        1.6039647590
O            -3.0738066970       -0.7622839998       -2.2312021470
H            -2.7324947530        0.0964967796       -1.9285861700
H            -2.3634563800       -1.1458242040       -2.7751079190
    63
 Energy=    -106.840520084860
O             0.2476776683        0.7825000131       -3.7920872610
H             0.9333080133        0.7353036945       -3.0930990240
H            -0.2972194441        1.5428724810       -3.5706848180
O            -0.6188868831        3.0870430330        2.3813903140
H            -1.4738459700        2.8264016510        1.9970332500
H            -0.1811850688        2.2383413570        2.6031208310
O             0.1883766049        3.0854136020       -1.8019324770
H             0.9503153406        2.5044832320       -1.9108943140
H             0.3791798534        3.5842211330       -0.9862521161
O             0.9800632186        4.0707226740        0.5970843906
H             0.3577521713        3.6971994990        1.2922434450
H             1.1492208020        4.9772084350        0.8517484646
O            -3.1763573110       -0.3600764768        2.0605852210
H            -2.4672395700       -0.6954680921        2.6517923560
H            -3.2476007280       -1.0028590240        1.3364137890
O            -1.8542893770        1.4565943210       -1.1587112690
H            -1.2209694930        2.1544245400       -1.4311992960
H            -2.3091776540        1.7860069650       -0.3591863263
O            -1.0772164250       -1.2626088640        3.4860137420
H            -0.4945085110       -0.4944892676        3.3481609400
H            -0.5711414372       -2.0154583390        3.1497587990
O             0.6641112301       -3.1138831950        2.2775833210
H             1.4636883770       -2.6288121150        1.9421214530
H             0.9853910062       -3.9471372060        2.6220146990
O            -0.6617431599       -2.6292187800       -0.0075740670
H            -1.6324038220       -2.6007573230        0.0664056552
H            -0.2989044072       -2.9098443140        0.8539526415
O             2.9148437190       -1.7652818230       -1.5161354470
H             2.1124990510       -2.2827988200       -1.8117960110
H             3.6732877120       -2.2108828720       -1.8931994660
O             1.9037464240        0.7297766082       -1.6394280600
H             2.4565442020       -0.0687381300       -1.7173211700
H             1.2019178140        0.4526860430       -0.9919008380
O            -0.9358808387       -1.5642647470       -3.7861776050
H            -1.1004622800       -1.8119428030       -4.6965098990
H            -0.4929048841       -0.6774124703       -3.8134979350
O            -3.3217837390       -2.1702336960       -0.0434417115
H            -3.2778736570       -1.6266678750       -0.8795264213
H            -4.0929983710       -2.7318651460       -0.1237467942
O             3.2789519810        0.6501300050        2.1873272220
H             4.0361076780        0.8684670510        2.7291833880
H             3.2630314110        1.3088121260        1.4387257000
O            -2.9175163610        2.0849630610        1.2297847170
H            -3.7722379410        2.4829116910        1.3962670250
H            -2.9813052550        1.1482069550        1.5829339890
O             2.7890171090       -1.9183705430        1.2780620700
H             2.9705897830       -1.0266702620        1.6188907650
H             2.8062939340       -1.8480818320        0.3083253592
O             0.0042272558       -0.0492451190       -0.0061785402
H            -0.7625978842        0.4283736748       -0.3947368950
H            -0.2123208200       -1.0087501070       -0.0456038435
O             0.7802451278       -3.0821044630       -2.2478537160
H             0.2160327006       -2.5921800610       -2.8710949030
H             0.2657701376       -3.0926184640       -1.4206685850
O             3.1042859100        2.3590212100        0.2154466126
H             2.3930066550        2.9997960140        0.3998941654
H             2.7839000690        1.8160101080       -0.5282702464
O             0.5648183031        0.6828928487        2.5250616110
H             1.5327521570        0.6618444524        2.5879354220
H             0.3585421540        0.4115203151        1.6044627080
O            -3.0713971070       -0.7627129832       -2.2316339680
H            -2.7291916420        0.0961202196       -1.9305954240
H            -2.3618244320       -1.1480761980       -2.7752761350
    63
 Energy=    -106.840511096050
O             0.2426178622        0.7835822349       -3.7911117850
H             0.9291616525        0.7345703204       -3.0929942190
H            -0.3018628621        1.5421470470       -3.5650443210
O            -0.6191600214        3.0857878290        2.3828331230
H            -1.4736695350        2.8259862810        1.9958973020
H            -0.1819817776        2.2370066500        2.6045108900
O             0.1900265429        3.0888931560       -1.8013560170
H             0.9511905735        2.5077815130       -1.9142789550
H             0.3833712536        3.5856679440       -0.9848671332
O             0.9810212927        4.0717200950        0.5994532431
H             0.3576667045        3.6973759500        1.2931156780
H             1.1501982210        4.9782873500        0.8542375747
O            -3.1768779840       -0.3610471904        2.0610179330
H            -2.4669729990       -0.6957398443        2.6514992910
H            -3.2474988280       -1.0025887520        1.3357413510
O            -1.8520242370        1.4585411000       -1.1598928380
H            -1.2188954810        2.1570658180       -1.4307600230
H            -2.3082446940        1.7874246810       -0.3612285314
O            -1.0769922130       -1.2630974980        3.4869346860
H            -0.4946087327       -0.4947122601        3.3498814000
H            -0.5710441793       -2.0157038810        3.1495124770
O             0.6639423275       -3.1140484300        2.2778599410
H             1.4635737370       -2.6290924440        1.9421667510
H             0.9850964155       -3.9473949310        2.6217291350
O            -0.6620091328       -2.6298766860       -0.0074364428
H            -1.6329093060       -2.6010399910        0.0662864631
H            -0.2993952393       -2.9102150410        0.8540133722
O             2.9133025150       -1.7642618170       -1.5156255780
H             2.1116699180       -2.2835253900       -1.8104134660
H             3.6722438790       -2.2092793270       -1.8922179790
O             1.9020696670        0.7294327457       -1.6407328930
H             2.4559049750       -0.0682984792       -1.7176559000
H             1.2007681120        0.4529449804       -0.9921922094
O            -0.9339038723       -1.5678017240       -3.7873749060
H            -1.1001136960       -1.8154781480       -4.6971751620
H            -0.4948442645       -0.6791032099       -3.8144873010
O            -3.3220269070       -2.1701992740       -0.0444669441
H            -3.2768579300       -1.6255445400       -0.8798893723
H            -4.0934997980       -2.7309154990       -0.1256424917
O             3.2786301380        0.6504655447        2.1865782030
H             4.0368101840        0.8688561833        2.7269499500
H             3.2628159760        1.3084850790        1.4374593700
O            -2.9173534650        2.0838395320        1.2280887940
H            -3.7717935240        2.4825149830        1.3942240300
H            -2.9801459180        1.1470982840        1.5816718380
O             2.7889488830       -1.9186712640        1.2778864750
H             2.9712316810       -1.0267028990        1.6187633230
H             2.8048983960       -1.8481992150        0.3084066721
O             0.0040498723       -0.0494478926       -0.0050541926
H            -0.7627111474        0.4296607699       -0.3939894243
H            -0.2124367802       -1.0079995670       -0.0444878561
O             0.7806874162       -3.0834923160       -2.2471764450
H             0.2164159863       -2.5949894240       -2.8714293450
H             0.2661140515       -3.0928364450       -1.4200285020
O             3.1036127890        2.3594674230        0.2141218758
H             2.3932972510        3.0005269300        0.4000782997
H             2.7821616870        1.8165231080       -0.5289560039
O             0.5655406769        0.6834809077        2.5254495440
H             1.5335125020        0.6620488846        2.5895319700
H             0.3586701435        0.4119404069        1.6050296760
O            -3.0688797850       -0.7627431493       -2.2318136920
H            -2.7258469030        0.0959924438       -1.9322754050
H            -2.3601509660       -1.1503120460       -2.7753658140
    63
 Energy=    -106.840489528030
O             0.2246954065        0.7871369899       -3.7850634110
H             0.9162204356        0.7311610303       -3.0918634130
H            -0.3221202950        1.5399975450       -3.5445718530
O            -0.6208241699        3.0811133250        2.3851461020
H            -1.4718827200        2.8236933030        1.9909439590
H            -0.1844387774        2.2316135410        2.6083899080
O             0.1930794285        3.1047228470       -1.7981985330
H             0.9524479137        2.5239897580       -1.9301810940
H             0.3987632981        3.5923774980       -0.9786013529
O             0.9829497538        4.0746363730        0.6069437902
H             0.3565796799        3.7004311460        1.2980747730
H             1.1521429570        4.9806423120        0.8641183366
O            -3.1790876940       -0.3626687408        2.0626801500
H            -2.4669361890       -0.6980010730        2.6500054770
H            -3.2470748520       -1.0016913450        1.3353299490
O            -1.8434758480        1.4668536500       -1.1655222070
H            -1.2086777880        2.1667553240       -1.4303288020
H            -2.3046659000        1.7947944680       -0.3684233135
O            -1.0761622220       -1.2648779050        3.4905515650
H            -0.4936944350       -0.4956854579        3.3565867610
H            -0.5706437440       -2.0157069050        3.1488221200
O             0.6631210474       -3.1141374150        2.2780760890
H             1.4635006990       -2.6302104420        1.9427723290
H             0.9833175241       -3.9485931180        2.6203380060
O            -0.6634577012       -2.6316886370       -0.0064638819
H            -1.6345030270       -2.6033165490        0.0673441263
H            -0.3026696469       -2.9126890670        0.8556633061
O             2.9084552450       -1.7615747590       -1.5119744530
H             2.1081045030       -2.2840092310       -1.8052745820
H             3.6688299990       -2.2055367530       -1.8863868190
O             1.8940119460        0.7275215461       -1.6461004080
H             2.4508652010       -0.0684746996       -1.7172722910
H             1.1981806240        0.4503250131       -0.9929685533
O            -0.9288515752       -1.5784453110       -3.7912420200
H            -1.0978509690       -1.8279715860       -4.7000175600
H            -0.4995340329       -0.6849470537       -3.8193338430
O            -3.3223538600       -2.1683528960       -0.0470221485
H            -3.2732739930       -1.6238066410       -0.8821279693
H            -4.0948728450       -2.7266645210       -0.1343806396
O             3.2774247940        0.6505831315        2.1826436530
H             4.0385058310        0.8705411599        2.7183165210
H             3.2610326420        1.3072744850        1.4329664700
O            -2.9143676220        2.0787044500        1.2214605110
H            -3.7683317960        2.4781250390        1.3876922250
H            -2.9794949690        1.1428880490        1.5766376740
O             2.7892849520       -1.9200441400        1.2772671190
H             2.9741517560       -1.0284911030        1.6174292650
H             2.8000103030       -1.8487568780        0.3075766655
O             0.0031079399       -0.0486012441       -0.0005037828
H            -0.7622891610        0.4333707684       -0.3903262072
H            -0.2124939142       -1.0066560900       -0.0405589691
O             0.7821996676       -3.0905812350       -2.2457682530
H             0.2191752084       -2.6055628400       -2.8731040990
H             0.2683702920       -3.0923742150       -1.4175394830
O             3.1024783450        2.3608957670        0.2081818875
H             2.3949768040        3.0030434300        0.3997624390
H             2.7744513500        1.8179128430       -0.5328023079
O             0.5669388634        0.6856715198        2.5293293680
H             1.5345605070        0.6623809115        2.5922290330
H             0.3621314947        0.4148206343        1.6085879330
O            -3.0588848370       -0.7613543738       -2.2329178640
H            -2.7116001300        0.0969162808       -1.9377131840
H            -2.3530405930       -1.1586643110       -2.7738047320
    63
 Energy=    -106.840450447630
O             0.1989205601        0.7822113695       -3.7798586970
H             0.8955448603        0.7360072594       -3.0914861200
H            -0.3640260174        1.5207980100       -3.5318618560
O            -0.6239737577        3.0789323490        2.3839077790
H            -1.4713945700        2.8166102050        1.9835005870
H            -0.1869325332        2.2312908190        2.6101436140
O             0.2082645120        3.1219463170       -1.7913773940
H             0.9654344061        2.5415949490       -1.9341637320
H             0.4170127102        3.6032876190       -0.9689125219
O             0.9861052237        4.0811416170        0.6246788787
H             0.3570079832        3.7051956150        1.3130682370
H             1.1511962300        4.9871021740        0.8837765742
O            -3.1773181440       -0.3632780755        2.0622809770
H            -2.4674009290       -0.6997632634        2.6517905370
H            -3.2500071670       -1.0035558280        1.3362569800
O            -1.8294388840        1.4778853660       -1.1755320810
H            -1.1855939340        2.1739692970       -1.4292980800
H            -2.2950326950        1.8049208800       -0.3810540345
O            -1.0765106990       -1.2651464050        3.4919118190
H            -0.4918369072       -0.4969145551        3.3650520670
H            -0.5693945385       -2.0149676950        3.1498562380
O             0.6628401280       -3.1139512680        2.2768661270
H             1.4639768670       -2.6301936340        1.9423583570
H             0.9807299091       -3.9498072870        2.6175922560
O            -0.6656227321       -2.6315621530       -0.0033501506
H            -1.6366995520       -2.6070198590        0.0689151886
H            -0.3055099570       -2.9159437420        0.8582773080
O             2.9023980460       -1.7557912160       -1.5067116010
H             2.1042128130       -2.2786896350       -1.8044713880
H             3.6656587540       -2.1999435950       -1.8749578660
O             1.8807256280        0.7279516662       -1.6491414760
H             2.4375271050       -0.0677655831       -1.7223186600
H             1.1859323510        0.4515498543       -0.9942140586
O            -0.9291072018       -1.5934104580       -3.7981650310
H            -1.0953670730       -1.8467460030       -4.7063009160
H            -0.5010108895       -0.6992013922       -3.8293637070
O            -3.3245491970       -2.1637702380       -0.0510229816
H            -3.2663711110       -1.6195799130       -0.8860843130
H            -4.0964790840       -2.7214047360       -0.1449065690
O             3.2783493240        0.6506513307        2.1733891970
H             4.0394744350        0.8729122661        2.7085150910
H             3.2556553550        1.3070865500        1.4234061310
O            -2.9088577870        2.0713579830        1.2119133560
H            -3.7610843590        2.4734240930        1.3782565030
H            -2.9783293110        1.1356377630        1.5678215360
O             2.7894053500       -1.9224711610        1.2747205360
H             2.9768189150       -1.0316207810        1.6148509860
H             2.7954087440       -1.8480776630        0.3049215393
O             0.0007020517       -0.0478927308        0.0082420609
H            -0.7627201790        0.4341630991       -0.3819293982
H            -0.2159855601       -1.0063698000       -0.0343921277
O             0.7862906688       -3.0984662710       -2.2415317340
H             0.2244450555       -2.6201943600       -2.8755948100
H             0.2708836774       -3.0931280060       -1.4147298040
O             3.0984631320        2.3590803110        0.1991709510
H             2.3969751210        3.0058826900        0.3983385645
H             2.7611264470        1.8202813580       -0.5402370062
O             0.5694997228        0.6831376480        2.5383282850
H             1.5377307460        0.6646993293        2.5960268260
H             0.3624014302        0.4180296512        1.6164394000
O            -3.0438480920       -0.7578238141       -2.2340066710
H            -2.6898684940        0.0995883685       -1.9431671230
H            -2.3403358000       -1.1631190830       -2.7709230980
    63
 Energy=    -106.840437874570
O             0.2002571869        0.7835960756       -3.7791453300
H             0.8965704382        0.7370291687       -3.0902992470
H            -0.3636020478        1.5207805650       -3.5300641820
O            -0.6238922927        3.0788967490        2.3833789610
H            -1.4710703440        2.8167330100        1.9831533620
H            -0.1869525034        2.2312087830        2.6096474620
O             0.2064361637        3.1234496630       -1.7930453200
H             0.9638331450        2.5460880520       -1.9379095560
H             0.4159374655        3.6040674340       -0.9709641568
O             0.9860854838        4.0798961420        0.6247630007
H             0.3568050663        3.7049115380        1.3135498260
H             1.1508409410        4.9866238460        0.8823165258
O            -3.1771962660       -0.3634448399        2.0623261630
H            -2.4675644930       -0.6999494319        2.6523278380
H            -3.2503623580       -1.0033950320        1.3361030040
O            -1.8306224210        1.4778466410       -1.1757064560
H            -1.1863789180        2.1738352940       -1.4284631780
H            -2.2957033580        1.8048244160       -0.3802422074
O            -1.0766689210       -1.2650263230        3.4918443370
H            -0.4915900698       -0.4969324530        3.3653149950
H            -0.5692795840       -2.0150169960        3.1498685530
O             0.6626903125       -3.1141901340        2.2768602190
H             1.4639477330       -2.6303030660        1.9426142470
H             0.9803475874       -3.9500041240        2.6177899870
O            -0.6656135755       -2.6313970630       -0.0031399794
H            -1.6369169200       -2.6073127110        0.0689203551
H            -0.3055793245       -2.9162109120        0.8585322363
O             2.9025791260       -1.7571783310       -1.5057929570
H             2.1041219260       -2.2792711790       -1.8043344900
H             3.6654633940       -2.2010168260       -1.8747929220
O             1.8820875820        0.7264699493       -1.6485349240
H             2.4387042860       -0.0695523669       -1.7217601630
H             1.1864724880        0.4513192153       -0.9944546977
O            -0.9291380195       -1.5920078500       -3.7979491850
H            -1.0946318190       -1.8455739850       -4.7060718770
H            -0.5006961316       -0.6978198425       -3.8291802050
O            -3.3247071430       -2.1635500750       -0.0511927761
H            -3.2661607390       -1.6193506850       -0.8864114302
H            -4.0963844030       -2.7215805350       -0.1448588932
O             3.2785333850        0.6506632832        2.1733356770
H             4.0394016840        0.8726627426        2.7085629680
H             3.2553982410        1.3071351520        1.4232789990
O            -2.9091403760        2.0710399140        1.2128371400
H            -3.7613914050        2.4734018500        1.3784512750
H            -2.9786624620        1.1350467220        1.5680557590
O             2.7895107170       -1.9226725310        1.2749823780
H             2.9772683440       -1.0317350650        1.6147909590
H             2.7955332510       -1.8485381390        0.3051809541
O             0.0012809847       -0.0480321728        0.0079629244
H            -0.7624706600        0.4345705258       -0.3816960256
H            -0.2158947382       -1.0060119920       -0.0346987290
O             0.7863461702       -3.0985154530       -2.2415746520
H             0.2248163057       -2.6202530880       -2.8755791710
H             0.2708780015       -3.0932021010       -1.4146033290
O             3.0987928880        2.3588117140        0.1992741924
H             2.3975207980        3.0055482700        0.3982194505
H             2.7614616380        1.8200416900       -0.5409332081
O             0.5696494182        0.6822989887        2.5379221350
H             1.5378591740        0.6648838894        2.5962113820
H             0.3623496561        0.4186109741        1.6157008980
O            -3.0443829130       -0.7580089863       -2.2336584710
H            -2.6903129530        0.0990386249       -1.9430783590
H            -2.3403027190       -1.1635189940       -2.7704326030
    63
 Energy=    -106.840388675780
O             0.1809698782        0.7794453839       -3.7751983620
H             0.8768224594        0.7440432824       -3.0849069530
H            -0.4011346277        1.4995900800       -3.5189576300
O            -0.6312860775        3.0768939260        2.3802377740
H            -1.4749576640        2.8063129900        1.9764836120
H            -0.1824073210        2.2356593560        2.6072820400
O             0.2123046993        3.1398541640       -1.7824684100
H             0.9729224919        2.5718305810       -1.9466348080
H             0.4253697261        3.6088332980       -0.9542897159
O             0.9933902897        4.0853778020        0.6399960403
H             0.3558873642        3.7061907090        1.3191176160
H             1.1474105560        4.9931947550        0.9009444637
O            -3.1770326370       -0.3653787267        2.0637268530
H            -2.4675496340       -0.7010136910        2.6545180350
H            -3.2536583000       -1.0092554300        1.3415539510
O            -1.8108815920        1.4887337420       -1.1880615000
H            -1.1638852750        2.1865416600       -1.4317855980
H            -2.2797863130        1.8111224510       -0.3941361877
O            -1.0770778470       -1.2646968130        3.4918156350
H            -0.4909700373       -0.4968528015        3.3692530540
H            -0.5686205298       -2.0148020390        3.1519361970
O             0.6622635109       -3.1130021680        2.2770929660
H             1.4642073520       -2.6309286710        1.9412387930
H             0.9785917602       -3.9507684140        2.6142174040
O            -0.6675787753       -2.6323820210       -0.0017124955
H            -1.6386973970       -2.6074111700        0.0713138077
H            -0.3052536612       -2.9155483310        0.8595188092
O             2.8989778530       -1.7524464210       -1.5054729520
H             2.1024157980       -2.2770669600       -1.8057913490
H             3.6649458600       -2.2035685980       -1.8587495740
O             1.8682224640        0.7288661157       -1.6514576850
H             2.4221294650       -0.0688328810       -1.7269801600
H             1.1753653120        0.4530464542       -0.9947052141
O            -0.9239987880       -1.6092763000       -3.8043916210
H            -1.0928431100       -1.8597255120       -4.7126470410
H            -0.5026262775       -0.7114214348       -3.8317209740
O            -3.3251951320       -2.1617891430       -0.0555083331
H            -3.2621693850       -1.6150270900       -0.8886522708
H            -4.0981561200       -2.7169612530       -0.1532355429
O             3.2784586950        0.6495262295        2.1633238190
H             4.0381436050        0.8758645806        2.6982609980
H             3.2541667650        1.3063600700        1.4137180380
O            -2.9043810540        2.0653700570        1.2051460040
H            -3.7554126670        2.4702939450        1.3722901600
H            -2.9743909960        1.1290906980        1.5596488300
O             2.7904238900       -1.9275672910        1.2740283170
H             2.9762741330       -1.0365472580        1.6145706180
H             2.7944683810       -1.8509491190        0.3041343105
O            -0.0031741266       -0.0500091908        0.0156259151
H            -0.7643052522        0.4343915724       -0.3760948213
H            -0.2210634946       -1.0082717870       -0.0249465621
O             0.7898864449       -3.0997323160       -2.2361673490
H             0.2288024808       -2.6310214160       -2.8774870180
H             0.2685547975       -3.0962673690       -1.4128921010
O             3.0919645650        2.3574211440        0.1892120349
H             2.3958271870        3.0079909810        0.3919991242
H             2.7496764150        1.8183550980       -0.5489358360
O             0.5736655868        0.6834062873        2.5483354860
H             1.5425998580        0.6653739309        2.5982460370
H             0.3582123679        0.4154077115        1.6293384570
O            -3.0236867690       -0.7521759464       -2.2318365750
H            -2.6703850540        0.1065883518       -1.9454954610
H            -2.3242449950       -1.1595222420       -2.7732956180
    63
 Energy=    -106.840317133210
O             0.1693634689        0.7777259105       -3.7666825760
H             0.8630813740        0.7506113343       -3.0729871880
H            -0.4356773723        1.4771582630       -3.5057402320
O            -0.6346906737        3.0742553720        2.3740491610
H            -1.4762066410        2.7954286580        1.9710059010
H            -0.1832807856        2.2360473630        2.6067440190
O             0.2080036903        3.1702132930       -1.7786373380
H             0.9754704564        2.6206477400       -1.9719464460
H             0.4243689902        3.6171894260       -0.9377322026
O             0.9949567774        4.0882983580        0.6425444843
H             0.3560634693        3.7034586850        1.3172498110
H             1.1433141640        4.9953325100        0.9084325897
O            -3.1802752640       -0.3699874765        2.0673354000
H            -2.4677510010       -0.7022401081        2.6561913310
H            -3.2561116670       -1.0164502770        1.3472842810
O            -1.7948641790        1.4954610550       -1.1938957670
H            -1.1515177170        2.1980078960       -1.4354833430
H            -2.2695846470        1.8141484170       -0.4025390995
O            -1.0764325590       -1.2644077010        3.4935414550
H            -0.4913257694       -0.4957547670        3.3708738530
H            -0.5681371411       -2.0142045590        3.1537902570
O             0.6616236173       -3.1125171120        2.2776904280
H             1.4647086270       -2.6327160930        1.9409291020
H             0.9761140778       -3.9522976020        2.6114055190
O            -0.6690560123       -2.6332056980       -0.0012297242
H            -1.6397078290       -2.6066391840        0.0738126861
H            -0.3052025309       -2.9135833300        0.8603038139
O             2.9001902010       -1.7559456780       -1.5042322760
H             2.1044113760       -2.2818188760       -1.8035364090
H             3.6677881140       -2.2173946040       -1.8412248570
O             1.8570515150        0.7258426879       -1.6527652540
H             2.4113864100       -0.0707311684       -1.7294974350
H             1.1692404010        0.4534307829       -0.9894380147
O            -0.9150924817       -1.6157704130       -3.8082077060
H            -1.0871528030       -1.8599131430       -4.7177991510
H            -0.4923723181       -0.7181609848       -3.8315157290
O            -3.3266013360       -2.1605258420       -0.0559890360
H            -3.2570071940       -1.6116656790       -0.8865154334
H            -4.0998576620       -2.7137354690       -0.1614159906
O             3.2782110880        0.6486267892        2.1534523560
H             4.0361569730        0.8786050008        2.6895414220
H             3.2540915550        1.3023140510        1.4008471180
O            -2.9018075120        2.0573134340        1.1938956130
H            -3.7489256970        2.4660086020        1.3712818590
H            -2.9726982790        1.1240465190        1.5550664470
O             2.7924336160       -1.9336811450        1.2757080820
H             2.9745529500       -1.0416926000        1.6153788280
H             2.7960247410       -1.8577086470        0.3056036581
O            -0.0080808674       -0.0510432405        0.0270656187
H            -0.7633479939        0.4338447632       -0.3742557710
H            -0.2266540401       -1.0090553130       -0.0191885310
O             0.7882290424       -3.1051214690       -2.2342872820
H             0.2302162590       -2.6330425630       -2.8761690390
H             0.2654597637       -3.0971822040       -1.4120988390
O             3.0899186450        2.3546430330        0.1775475464
H             2.3936706910        3.0044089340        0.3840684031
H             2.7416175760        1.8134858480       -0.5553037582
O             0.5763542244        0.6871506950        2.5544165070
H             1.5456277000        0.6653459530        2.5971991850
H             0.3560470658        0.4106391525        1.6391838140
O            -3.0077169880       -0.7441755485       -2.2317883150
H            -2.6530697180        0.1140394529       -1.9439475570
H            -2.3090308370       -1.1506038840       -2.7738807690
    63
 Energy=    -106.840265096940
O             0.1681015755        0.7774441743       -3.7668066420
H             0.8617087801        0.7510503850       -3.0728825730
H            -0.4388036107        1.4751064740       -3.5055896470
O            -0.6342334528        3.0746902590        2.3729377730
H            -1.4757958850        2.7943570990        1.9714773430
H            -0.1842510266        2.2362080520        2.6070912780
O             0.2098719823        3.1720712920       -1.7782752810
H             0.9770853829        2.6221169220       -1.9712980360
H             0.4251434534        3.6166069640       -0.9358683083
O             0.9952486740        4.0890012350        0.6434983592
H             0.3558918453        3.7037207020        1.3175294670
H             1.1429892260        4.9960931830        0.9102615470
O            -3.1806384910       -0.3707697745        2.0675275920
H            -2.4675035980       -0.7019470838        2.6560993080
H            -3.2561518140       -1.0170018660        1.3473852820
O            -1.7945537550        1.4960757240       -1.1950946650
H            -1.1501326480        2.1974406190       -1.4353998650
H            -2.2684749310        1.8149365620       -0.4027841646
O            -1.0764748830       -1.2640420140        3.4939070560
H            -0.4916920693       -0.4958056514        3.3710125870
H            -0.5679284438       -2.0146739490        3.1536691980
O             0.6616755282       -3.1122106310        2.2777204220
H             1.4646089230       -2.6327439210        1.9407164500
H             0.9762118763       -3.9524749090        2.6111984900
O            -0.6690397889       -2.6337319740       -0.0013699573
H            -1.6397237950       -2.6063886640        0.0740143956
H            -0.3052584129       -2.9133198910        0.8603315342
O             2.9002750550       -1.7549680150       -1.5046184630
H             2.1046275890       -2.2813587450       -1.8032612620
H             3.6678258210       -2.2173738100       -1.8402004120
O             1.8549710650        0.7255203354       -1.6536856850
H             2.4112104950       -0.0703111904       -1.7303710990
H             1.1678756040        0.4548545296       -0.9892066741
O            -0.9148212507       -1.6174994060       -3.8087404190
H            -1.0871551090       -1.8607973340       -4.7184460200
H            -0.4922868270       -0.7199712317       -3.8315827370
O            -3.3268467390       -2.1601465390       -0.0557775432
H            -3.2561870860       -1.6115479220       -0.8861285817
H            -4.1004459930       -2.7138816940       -0.1618846582
O             3.2781725750        0.6491349206        2.1527140500
H             4.0363994310        0.8787557325        2.6892891880
H             3.2537074150        1.3018883250        1.3995616270
O            -2.9020746070        2.0570782860        1.1920146000
H            -3.7479471100        2.4655054850        1.3710188720
H            -2.9721788430        1.1243125980        1.5548639710
O             2.7925897360       -1.9340950450        1.2756009540
H             2.9742987560       -1.0417815680        1.6154888560
H             2.7958319300       -1.8579588230        0.3054724641
O            -0.0087080222       -0.0512046416        0.0298472295
H            -0.7629845769        0.4332137701       -0.3743736020
H            -0.2271706992       -1.0088520460       -0.0192160034
O             0.7877020556       -3.1065476800       -2.2345167050
H             0.2301919675       -2.6330074920       -2.8757965640
H             0.2654427724       -3.0966674370       -1.4122140730
O             3.0897467860        2.3554395750        0.1774107806
H             2.3935048100        3.0039128810        0.3834040770
H             2.7406771060        1.8130536540       -0.5554393179
O             0.5766443561        0.6878979643        2.5545460700
H             1.5460129160        0.6651638289        2.5973571150
H             0.3557969763        0.4099482807        1.6398314950
O            -3.0073834960       -0.7425819249       -2.2321945570
H            -2.6514037100        0.1137434194       -1.9442174110
H            -2.3072806880       -1.1499227610       -2.7740490200
    63
 Energy=    -106.840019074760
O             0.1739081133        0.7819739325       -3.7608904290
H             0.8553638836        0.7566455433       -3.0537131930
H            -0.4595805034        1.4537577180       -3.4951096410
O            -0.6334877411        3.0681784080        2.3707897900
H            -1.4733665480        2.7931308640        1.9621611110
H            -0.1896496469        2.2277825390        2.6115034680
O             0.1920567992        3.2025196470       -1.7854984660
H             0.9723440198        2.6824127180       -2.0046646590
H             0.4111387305        3.6383864220       -0.9389330900
O             0.9927622835        4.0833637010        0.6353440189
H             0.3546580268        3.6981797060        1.3108011860
H             1.1403380270        4.9924349920        0.8954649467
O            -3.1828307020       -0.3735404944        2.0710498020
H            -2.4693164150       -0.7050143869        2.6593174510
H            -3.2586982170       -1.0192476340        1.3503458120
O            -1.7895626460        1.4961262560       -1.1920624280
H            -1.1533978730        2.2050010330       -1.4339711440
H            -2.2718762660        1.8094472500       -0.4025440925
O            -1.0754042130       -1.2626687300        3.4960030730
H            -0.4906770464       -0.4940916347        3.3716235740
H            -0.5667757936       -2.0119568270        3.1551138040
O             0.6606722983       -3.1140648420        2.2769783230
H             1.4657354840       -2.6352863260        1.9429894610
H             0.9724906610       -3.9547827300        2.6109883190
O            -0.6700005976       -2.6307894420        0.0002639834
H            -1.6406935240       -2.6080170080        0.0743919410
H            -0.3057717076       -2.9130405040        0.8611515983
O             2.9050692400       -1.7726267590       -1.4983378240
H             2.1091829540       -2.2969596560       -1.7996197120
H             3.6725697780       -2.2387461270       -1.8287694570
O             1.8548985860        0.7201572720       -1.6461241170
H             2.4089941500       -0.0758233808       -1.7265253300
H             1.1706459050        0.4484002013       -0.9783807335
O            -0.9042258360       -1.6055376380       -3.8089459310
H            -1.0785923460       -1.8434351510       -4.7196904090
H            -0.4682147901       -0.7132394849       -3.8300101430
O            -3.3271792860       -2.1591436560       -0.0547551288
H            -3.2527090760       -1.6069131100       -0.8825213978
H            -4.0999295920       -2.7118763830       -0.1679845967
O             3.2781625420        0.6459972137        2.1458297520
H             4.0329310760        0.8806536368        2.6838532480
H             3.2560258480        1.2959097830        1.3895357050
O            -2.9022269110        2.0487671070        1.1908066450
H            -3.7441279490        2.4637787930        1.3741448430
H            -2.9774761750        1.1146685010        1.5511032170
O             2.7947380910       -1.9379827640        1.2794547180
H             2.9748774210       -1.0441652160        1.6155151320
H             2.8001726790       -1.8656221970        0.3089152912
O            -0.0070327709       -0.0513531517        0.0296858990
H            -0.7591594025        0.4388349728       -0.3713973191
H            -0.2294395032       -1.0085618870       -0.0187218808
O             0.7848004941       -3.1061064480       -2.2349389410
H             0.2280849273       -2.6273903470       -2.8732623430
H             0.2644712394       -3.0989621510       -1.4113434470
O             3.0920460000        2.3485742790        0.1694391237
H             2.3949662330        2.9955576670        0.3794960488
H             2.7406521500        1.8068524320       -0.5621095729
O             0.5757222168        0.6835630917        2.5538898240
H             1.5451912780        0.6688208405        2.5945809740
H             0.3559749632        0.4120019448        1.6368339510
O            -3.0018898020       -0.7392870270       -2.2265276220
H            -2.6481336220        0.1184982837       -1.9369895160
H            -2.3037084940       -1.1433860550       -2.7715139920
    63
 Energy=    -106.839974780890
O             0.1729664185        0.7814377068       -3.7627875810
H             0.8525109099        0.7559279509       -3.0536863420
H            -0.4624169079        1.4515045660       -3.4972856630
O            -0.6332906229        3.0682153010        2.3714226740
H            -1.4726307780        2.7930294180        1.9619286100
H            -0.1908711321        2.2272237890        2.6123992250
O             0.1946797265        3.2002672510       -1.7835039560
H             0.9752827226        2.6774620150       -1.9998839570
H             0.4121887277        3.6402215290       -0.9383175236
O             0.9936699184        4.0842282420        0.6371589012
H             0.3544100897        3.6993552110        1.3117468700
H             1.1404901690        4.9929194710        0.8969637509
O            -3.1826733120       -0.3734302488        2.0709147720
H            -2.4690901210       -0.7049224325        2.6591664210
H            -3.2585723920       -1.0189952460        1.3500723540
O            -1.7887755280        1.4969743410       -1.1937902380
H            -1.1514153220        2.2054317500       -1.4332499620
H            -2.2707385580        1.8096494290       -0.4035021150
O            -1.0753583330       -1.2626264500        3.4961426790
H            -0.4907335940       -0.4940408467        3.3720023280
H            -0.5666768714       -2.0118458280        3.1550829330
O             0.6608115543       -3.1140051700        2.2768684450
H             1.4657843430       -2.6351542800        1.9426896120
H             0.9727268801       -3.9547163270        2.6107694930
O            -0.6700424067       -2.6311024920        0.0001489208
H            -1.6407538260       -2.6081416840        0.0743270540
H            -0.3058446618       -2.9130186730        0.8611355707
O             2.9045974730       -1.7712857120       -1.4987723890
H             2.1092679830       -2.2965391770       -1.7998318100
H             3.6725351170       -2.2371729230       -1.8287477200
O             1.8526549720        0.7213436254       -1.6464410570
H             2.4076430960       -0.0736729926       -1.7273190940
H             1.1692169380        0.4490561992       -0.9780199757
O            -0.9040920925       -1.6077865850       -3.8096242480
H            -1.0793942730       -1.8452469990       -4.7203802250
H            -0.4685235481       -0.7153874732       -3.8307535430
O            -3.3271600110       -2.1590397540       -0.0550043009
H            -3.2524380540       -1.6063779950       -0.8825011023
H            -4.0999849550       -2.7113904080       -0.1685737956
O             3.2781336320        0.6461748385        2.1456440100
H             4.0330821190        0.8808519027        2.6837171380
H             3.2558120050        1.2956097050        1.3888972940
O            -2.9014886390        2.0487182840        1.1898184360
H            -3.7436049000        2.4637740330        1.3735358920
H            -2.9775978240        1.1147650220        1.5498667830
O             2.7946959190       -1.9375669390        1.2788753340
H             2.9747845170       -1.0438764630        1.6152795450
H             2.7998065740       -1.8648645150        0.3083964161
O            -0.0068356514       -0.0513507212        0.0303735209
H            -0.7587784746        0.4388553141       -0.3705227648
H            -0.2294915878       -1.0085124820       -0.0184687315
O             0.7851790766       -3.1058760330       -2.2347979900
H             0.2276514165       -2.6279877500       -2.8732291670
H             0.2648923033       -3.0990393410       -1.4112425460
O             3.0915817820        2.3487673720        0.1694396750
H             2.3949189630        2.9957787290        0.3799121340
H             2.7395193220        1.8073353090       -0.5619973647
O             0.5755624604        0.6833691830        2.5541319830
H             1.5450406520        0.6691260037        2.5946814090
H             0.3559775313        0.4122719440        1.6369494160
O            -3.0013740730       -0.7390587734       -2.2260371850
H            -2.6471302930        0.1185442091       -1.9370387580
H            -2.3037854670       -1.1433993330       -2.7716390110
    63
 Energy=    -106.839928743350
O             0.1753251666        0.7837823305       -3.7616665700
H             0.8531259895        0.7553965098       -3.0516664470
H            -0.4603254332        1.4529629180       -3.4941681530
O            -0.6325015401        3.0680295290        2.3708572260
H            -1.4719865650        2.7924827060        1.9618546700
H            -0.1916484984        2.2266414550        2.6119328330
O             0.1900526874        3.2009074370       -1.7831474200
H             0.9713229131        2.6852128280       -2.0069120670
H             0.4101036849        3.6417065530       -0.9391940537
O             0.9932365695        4.0821930160        0.6346423131
H             0.3537659296        3.6993433710        1.3095938980
H             1.1398638960        4.9912360250        0.8945043848
O            -3.1832723030       -0.3739968014        2.0716436260
H            -2.4691168250       -0.7051948218        2.6596406260
H            -3.2587520800       -1.0190579460        1.3503302850
O            -1.7892877180        1.4977179720       -1.1949014560
H            -1.1539939100        2.2076956730       -1.4323895120
H            -2.2698252070        1.8092421510       -0.4032939406
O            -1.0753042710       -1.2625566410        3.4962199860
H            -0.4906310331       -0.4938035735        3.3718061580
H            -0.5666716650       -2.0118036590        3.1551147620
O             0.6606920484       -3.1140772560        2.2770824990
H             1.4657663370       -2.6355124760        1.9430148950
H             0.9723119868       -3.9550556840        2.6109335470
O            -0.6700244354       -2.6314113230        0.0000165427
H            -1.6408933430       -2.6079914140        0.0745253538
H            -0.3058537096       -2.9128447950        0.8612626103
O             2.9051398270       -1.7737266660       -1.4979673080
H             2.1097207750       -2.2985142400       -1.7992429360
H             3.6728553790       -2.2401986340       -1.8280043610
O             1.8536898280        0.7197270667       -1.6456342980
H             2.4088518390       -0.0748643518       -1.7266444290
H             1.1702344120        0.4479443444       -0.9772129834
O            -0.9024818185       -1.6064403710       -3.8090367820
H            -1.0783449020       -1.8424099150       -4.7198785050
H            -0.4672053279       -0.7136212754       -3.8294095470
O            -3.3271440240       -2.1591851210       -0.0549787338
H            -3.2523720940       -1.6064149350       -0.8823747279
H            -4.0999938260       -2.7116475730       -0.1686052798
O             3.2779382910        0.6461438436        2.1453207120
H             4.0331342120        0.8806461241        2.6840352750
H             3.2559390950        1.2948912010        1.3883394320
O            -2.9015700270        2.0481429610        1.1902295990
H            -3.7442654600        2.4633797590        1.3747072300
H            -2.9784207130        1.1145338270        1.5502190010
O             2.7949756210       -1.9382250260        1.2795198570
H             2.9748620440       -1.0442248910        1.6156302740
H             2.8003509450       -1.8660613540        0.3089469405
O            -0.0062062162       -0.0513398136        0.0305364721
H            -0.7576636660        0.4390751293       -0.3706261721
H            -0.2291916739       -1.0083617980       -0.0187650479
O             0.7847483974       -3.1056417590       -2.2349097970
H             0.2273617493       -2.6269054470       -2.8729523960
H             0.2645090623       -3.0989648760       -1.4115632020
O             3.0923536620        2.3487434770        0.1691441873
H             2.3948510710        2.9952446860        0.3790406858
H             2.7402486110        1.8062812030       -0.5625195481
O             0.5755261714        0.6832167157        2.5536164960
H             1.5450101260        0.6690808913        2.5941742000
H             0.3560697255        0.4122615371        1.6361744220
O            -3.0013671530       -0.7392440335       -2.2255129090
H            -2.6473363250        0.1186920320       -1.9365076960
H            -2.3037751850       -1.1424991990       -2.7714152390
    63
 Energy=    -106.839823126220
O             0.1806893752        0.7861767536       -3.7597139420
H             0.8528634363        0.7595491301       -3.0429126780
H            -0.4617358213        1.4482872110       -3.4921673850
O            -0.6340278764        3.0675673500        2.3708235680
H            -1.4718667330        2.7906291860        1.9596824350
H            -0.1915160032        2.2258351370        2.6095863470
O             0.1792894332        3.2009758240       -1.7841510860
H             0.9667133722        2.6958008490       -2.0155609570
H             0.4046953345        3.6512450390       -0.9468849226
O             0.9926383994        4.0782995810        0.6323780638
H             0.3567465303        3.6991278380        1.3133201710
H             1.1381247750        4.9878908260        0.8893734237
O            -3.1845989510       -0.3755876566        2.0726217080
H            -2.4694676920       -0.7054437585        2.6599820980
H            -3.2586395040       -1.0200379640        1.3506591470
O            -1.7893607120        1.4999252280       -1.1974946640
H            -1.1551623330        2.2141165050       -1.4276246950
H            -2.2674574780        1.8078480180       -0.4041407301
O            -1.0752900500       -1.2625594960        3.4962179430
H            -0.4908365047       -0.4936328023        3.3724849260
H            -0.5668480734       -2.0119942780        3.1553861960
O             0.6603768112       -3.1144993830        2.2778495970
H             1.4655731500       -2.6365366100        1.9429622950
H             0.9715812607       -3.9557219310        2.6110861650
O            -0.6704307191       -2.6324986540       -0.0003979388
H            -1.6410972480       -2.6084065150        0.0750219584
H            -0.3057234681       -2.9118461070        0.8612417380
O             2.9071711860       -1.7775878390       -1.4965161390
H             2.1106421770       -2.3007274670       -1.7984693350
H             3.6735308370       -2.2453452340       -1.8256328960
O             1.8560997330        0.7161808175       -1.6452875050
H             2.4109879560       -0.0792097862       -1.7248375910
H             1.1720437050        0.4473483650       -0.9772150362
O            -0.9011327228       -1.6018899330       -3.8089599680
H            -1.0760822360       -1.8380741760       -4.7197910740
H            -0.4652799938       -0.7092467698       -3.8295705590
O            -3.3272393190       -2.1584950010       -0.0548298158
H            -3.2517078480       -1.6052534430       -0.8819723161
H            -4.0997495070       -2.7114277570       -0.1698755967
O             3.2771200580        0.6464045426        2.1462904370
H             4.0321458440        0.8799617514        2.6834626660
H             3.2560648040        1.2932750940        1.3868995660
O            -2.9033547980        2.0469440230        1.1887088530
H            -3.7432511100        2.4630081300        1.3759827300
H            -2.9782722560        1.1138917780        1.5516846510
O             2.7952761010       -1.9388548860        1.2803237520
H             2.9757775910       -1.0448661500        1.6157357920
H             2.8013357330       -1.8680185900        0.3095507712
O            -0.0065761027       -0.0512194057        0.0328504920
H            -0.7562388535        0.4405049343       -0.3699321985
H            -0.2282963777       -1.0082050950       -0.0190241072
O             0.7839742353       -3.1070402020       -2.2348754220
H             0.2276822012       -2.6262497750       -2.8718653990
H             0.2640155773       -3.0989752210       -1.4109653280
O             3.0932289620        2.3481536970        0.1658699923
H             2.3964738870        2.9934595410        0.3795879577
H             2.7393392300        1.8053385030       -0.5645367357
O             0.5759426705        0.6850358784        2.5516671390
H             1.5452434140        0.6684047470        2.5933206300
H             0.3565089244        0.4116974792        1.6348945910
O            -3.0016190850       -0.7390751410       -2.2249511090
H            -2.6471880430        0.1183700760       -1.9340552830
H            -2.3033381850       -1.1419692060       -2.7697859030
    63
 Energy=    -106.839765662590
O             0.1910950208        0.7926359301       -3.7512569890
H             0.8615653445        0.7655332758       -3.0328815700
H            -0.4568312438        1.4487317970       -3.4828552690
O            -0.6352356667        3.0667373190        2.3681115430
H            -1.4733395700        2.7890996020        1.9576953880
H            -0.1885671796        2.2264653370        2.6045637430
O             0.1612820552        3.2133342500       -1.7939082950
H             0.9534720199        2.7250789800       -2.0438727920
H             0.3927800574        3.6557696760       -0.9539688296
O             0.9903879226        4.0720195170        0.6266854520
H             0.3587822873        3.6940013410        1.3127475040
H             1.1359742030        4.9832839260        0.8779334543
O            -3.1864747190       -0.3774062351        2.0743018250
H            -2.4706159700       -0.7064291824        2.6611790380
H            -3.2592092460       -1.0217838480        1.3520150930
O            -1.7924145100        1.4992472460       -1.1938253800
H            -1.1617327410        2.2174886240       -1.4262524660
H            -2.2710200260        1.8047136910       -0.4003387975
O            -1.0752423650       -1.2623068510        3.4961083070
H            -0.4907398362       -0.4935879446        3.3718741170
H            -0.5670941001       -2.0122776080        3.1557567420
O             0.6595259057       -3.1151767000        2.2786540000
H             1.4651550560       -2.6381176980        1.9441715450
H             0.9698770007       -3.9568790570        2.6119971160
O            -0.6704779862       -2.6323763970       -0.0002217609
H            -1.6413285920       -2.6085331020        0.0756762213
H            -0.3054523948       -2.9110561510        0.8614167036
O             2.9101338800       -1.7864634640       -1.4932967340
H             2.1115668000       -2.3055378690       -1.7967706370
H             3.6752047810       -2.2572098290       -1.8228677460
O             1.8659173820        0.7079179939       -1.6441744840
H             2.4169666230       -0.0903923842       -1.7198665750
H             1.1781677080        0.4443585778       -0.9770257873
O            -0.8992330523       -1.5901751020       -3.8067612970
H            -1.0709910560       -1.8270994500       -4.7179647320
H            -0.4614765149       -0.6978076096       -3.8266274040
O            -3.3273459230       -2.1584068890       -0.0540423666
H            -3.2519366980       -1.6053072200       -0.8814773526
H            -4.0989942250       -2.7122887930       -0.1696974579
O             3.2757634270        0.6460360945        2.1457826290
H             4.0316442460        0.8790549261        2.6839994810
H             3.2568807960        1.2922233150        1.3868910440
O            -2.9049702210        2.0446548440        1.1907909480
H            -3.7451972460        2.4628067620        1.3797328780
H            -2.9789624110        1.1128043290        1.5559326950
O             2.7961084130       -1.9411481070        1.2830629260
H             2.9769083020       -1.0464473490        1.6165246740
H             2.8037271830       -1.8727523010        0.3121357753
O            -0.0064801950       -0.0506296540        0.0319432640
H            -0.7555430345        0.4419489360       -0.3717583603
H            -0.2283408223       -1.0079592310       -0.0201366909
O             0.7821713448       -3.1085733710       -2.2348301890
H             0.2289562944       -2.6232599640       -2.8710302070
H             0.2622417901       -3.0991763030       -1.4108345880
O             3.0961163980        2.3460939160        0.1632659223
H             2.3981008720        2.9900082380        0.3778089577
H             2.7416847660        1.8029105050       -0.5672672220
O             0.5764134125        0.6863318103        2.5494226900
H             1.5457817920        0.6671908693        2.5917916610
H             0.3569987865        0.4108854189        1.6331090210
O            -3.0030681310       -0.7390399714       -2.2246612920
H            -2.6502081770        0.1179882755       -1.9312426540
H            -2.3023169140       -1.1409920860       -2.7678569520
    63
 Energy=    -106.839646377420
O             0.2037781723        0.8015564697       -3.7410175270
H             0.8752221851        0.7716280018       -3.0217631080
H            -0.4496564699        1.4520156990       -3.4699875400
O            -0.6356809870        3.0659799070        2.3639466650
H            -1.4756332920        2.7879048070        1.9557762790
H            -0.1844132839        2.2273915530        2.5987859730
O             0.1421508712        3.2327002370       -1.8072396890
H             0.9364604351        2.7625769110       -2.0823061090
H             0.3768056734        3.6570620930       -0.9596318847
O             0.9881396014        4.0643202820        0.6196298313
H             0.3595721208        3.6870777110        1.3094121530
H             1.1334780310        4.9783868200        0.8639954120
O            -3.1884751950       -0.3794324068        2.0763757770
H            -2.4721886440       -0.7077648618        2.6627175530
H            -3.2601369830       -1.0236534330        1.3539248680
O            -1.7957822860        1.4977797450       -1.1884983260
H            -1.1720094320        2.2172221160       -1.4261573840
H            -2.2779036900        1.8011166670       -0.3934526357
O            -1.0748921590       -1.2619965520        3.4959278070
H            -0.4905500424       -0.4936669185        3.3705900920
H            -0.5674641355       -2.0123505760        3.1562173590
O             0.6582687632       -3.1162134960        2.2795448350
H             1.4647855090       -2.6398031780        1.9459455950
H             0.9677032320       -3.9581103620        2.6132005250
O            -0.6706769783       -2.6316903030        0.0004322539
H            -1.6411667980       -2.6084667920        0.0763364284
H            -0.3052010285       -2.9103897390        0.8615727715
O             2.9135967420       -1.7979742400       -1.4896792590
H             2.1126454760       -2.3115388460       -1.7945128310
H             3.6769312950       -2.2717807490       -1.8198180460
O             1.8778911390        0.6974282974       -1.6421832900
H             2.4247350740       -0.1044031440       -1.7134121170
H             1.1868767430        0.4406584951       -0.9772425141
O            -0.8965395147       -1.5752067560       -3.8036507440
H            -1.0647752610       -1.8132086550       -4.7153894510
H            -0.4573695879       -0.6842513201       -3.8218094920
O            -3.3273639400       -2.1585923510       -0.0531850375
H            -3.2526510390       -1.6060471570       -0.8807722888
H            -4.0980289570       -2.7136572230       -0.1687911704
O             3.2750320920        0.6448489671        2.1457874820
H             4.0306760320        0.8779178414        2.6844945880
H             3.2581008390        1.2920830080        1.3868025970
O            -2.9076201160        2.0430690740        1.1951835880
H            -3.7472910880        2.4619699690        1.3842918650
H            -2.9802813130        1.1111290410        1.5611823540
O             2.7973665540       -1.9440191810        1.2865647080
H             2.9779892360       -1.0485531760        1.6175887210
H             2.8066953580       -1.8787400650        0.3157849335
O            -0.0064993568       -0.0502291332        0.0291155502
H            -0.7546544733        0.4433415189       -0.3745979798
H            -0.2287835359       -1.0071857880       -0.0216235259
O             0.7798999123       -3.1099275460       -2.2347761020
H             0.2304891331       -2.6190511340       -2.8704229680
H             0.2599626364       -3.0994854870       -1.4110282480
O             3.0986944690        2.3434236300        0.1604346927
H             2.4000277680        2.9856424200        0.3748491305
H             2.7462535370        1.8000033530       -0.5694924601
O             0.5769877946        0.6869209075        2.5469728530
H             1.5461180140        0.6658538055        2.5899183520
H             0.3575620821        0.4102073026        1.6313216040
O            -3.0046282680       -0.7393562279       -2.2246945130
H            -2.6546760040        0.1178999990       -1.9282412940
H            -2.3013915610       -1.1396122520       -2.7657381780
    63
 Energy=    -106.839533584450
O             0.2214822058        0.8169293790       -3.7193581310
H             0.9011340467        0.7730931303       -3.0085489490
H            -0.4234473892        1.4732226520       -3.4393632870
O            -0.6341085412        3.0660012860        2.3556188660
H            -1.4767566890        2.7844373610        1.9562879190
H            -0.1796877955        2.2290308330        2.5877290190
O             0.1006543641        3.2653249500       -1.8250760210
H             0.8969824425        2.8344235420       -2.1605124100
H             0.3525308246        3.6522616190       -0.9601461945
O             0.9803652488        4.0520063060        0.5977833031
H             0.3572575379        3.6742714940        1.2924946450
H             1.1303804120        4.9658273450        0.8383472805
O            -3.1919343910       -0.3825299438        2.0809651830
H            -2.4747199380       -0.7102524267        2.6668987420
H            -3.2626043090       -1.0263361180        1.3576730670
O            -1.8004959030        1.4938034720       -1.1761457100
H            -1.1967828370        2.2231228700       -1.4314712230
H            -2.2870031210        1.7958910690       -0.3845274743
O            -1.0746490030       -1.2609508260        3.4956112460
H            -0.4895646280       -0.4931855355        3.3668698160
H            -0.5677148635       -2.0126493110        3.1567169140
O             0.6564268743       -3.1177978930        2.2809248490
H             1.4648076490       -2.6423775260        1.9500441450
H             0.9632974379       -3.9601804990        2.6153904470
O            -0.6704395325       -2.6295822560        0.0016569703
H            -1.6412113450       -2.6072710020        0.0774463050
H            -0.3046931466       -2.9102147660        0.8626121253
O             2.9202231160       -1.8209089290       -1.4823678080
H             2.1142073530       -2.3248907420       -1.7901209960
H             3.6791881810       -2.2999385540       -1.8146509470
O             1.8999652870        0.6801792543       -1.6344379400
H             2.4392187100       -0.1274073885       -1.7036680720
H             1.2025352460        0.4295360082       -0.9747814573
O            -0.8894572920       -1.5488353830       -3.7954906190
H            -1.0529388960       -1.7856324760       -4.7084683250
H            -0.4477730131       -0.6580605281       -3.8105868750
O            -3.3273119340       -2.1607328590       -0.0517965496
H            -3.2542024890       -1.6091453760       -0.8803726360
H            -4.0969277670       -2.7174778800       -0.1653917528
O             3.2760372390        0.6429504690        2.1446752580
H             4.0290682080        0.8749787583        2.6870251180
H             3.2596820340        1.2921318750        1.3871199140
O            -2.9124330570        2.0407786910        1.2051036670
H            -3.7523362860        2.4587205980        1.3941389830
H            -2.9848295880        1.1085676600        1.5710459060
O             2.7992953540       -1.9506918680        1.2938440050
H             2.9788492760       -1.0531646700        1.6207198490
H             2.8126053880       -1.8902647820        0.3224343436
O            -0.0031907841       -0.0493176347        0.0204853285
H            -0.7528815543        0.4433179808       -0.3821660105
H            -0.2300857201       -1.0048516790       -0.0244454907
O             0.7760888644       -3.1098159940       -2.2355443170
H             0.2328779467       -2.6103233460       -2.8695875180
H             0.2543521918       -3.0998433940       -1.4127758990
O             3.1056869260        2.3389332270        0.1584894564
H             2.4009753050        2.9792213140        0.3661228815
H             2.7562156470        1.7937720520       -0.5731664437
O             0.5775840901        0.6858673515        2.5440438350
H             1.5471862860        0.6640371389        2.5864766480
H             0.3575665225        0.4090685396        1.6283136980
O            -3.0071066330       -0.7399514031       -2.2229285790
H            -2.6616919100        0.1182862452       -1.9261606130
H            -2.2992367540       -1.1346538810       -2.7635420050
    63
 Energy=    -106.839464148390
O             0.2314037369        0.8270460454       -3.7098170530
H             0.9151431598        0.7742180336       -3.0030065840
H            -0.4066940122        1.4855673460       -3.4209298990
O            -0.6318575475        3.0660282610        2.3508993210
H            -1.4767731730        2.7834788100        1.9573195560
H            -0.1782561045        2.2286829990        2.5835621630
O             0.0773674070        3.2790941810       -1.8342205840
H             0.8746926436        2.8805108610       -2.1994138510
H             0.3431236934        3.6471746240       -0.9650880417
O             0.9766613512        4.0443043980        0.5842560277
H             0.3542815917        3.6687046220        1.2808595020
H             1.1278692160        4.9587200110        0.8245506239
O            -3.1939561090       -0.3844987114        2.0837545250
H            -2.4758051340       -0.7116408150        2.6690525730
H            -3.2639405180       -1.0271767790        1.3596199260
O            -1.8058782160        1.4919213710       -1.1714511750
H            -1.2119822930        2.2257358250       -1.4332850830
H            -2.2909597220        1.7933969380       -0.3784826377
O            -1.0742516670       -1.2604667960        3.4953948750
H            -0.4891091328       -0.4929059248        3.3645399930
H            -0.5679854287       -2.0126376610        3.1569522450
O             0.6553739847       -3.1186296330        2.2817822790
H             1.4647527740       -2.6437427440        1.9524541260
H             0.9609655300       -3.9613184780        2.6167601260
O            -0.6703766856       -2.6289059840        0.0022085599
H            -1.6411068840       -2.6062901070        0.0781047862
H            -0.3045525725       -2.9100164680        0.8629669739
O             2.9237785260       -1.8341726370       -1.4783073200
H             2.1151666810       -2.3334049050       -1.7875514440
H             3.6800330860       -2.3152421320       -1.8124700220
O             1.9118134340        0.6708022367       -1.6302276940
H             2.4477741200       -0.1391851803       -1.6983210670
H             1.2111322760        0.4233397747       -0.9729605276
O            -0.8842912076       -1.5358676030       -3.7909725710
H            -1.0467360710       -1.7696241980       -4.7045210050
H            -0.4418292071       -0.6452068997       -3.8028804040
O            -3.3273242650       -2.1618937570       -0.0508044926
H            -3.2553128510       -1.6112602840       -0.8800657587
H            -4.0965163980       -2.7199940080       -0.1630488598
O             3.2767363680        0.6419127224        2.1443626040
H             4.0282530950        0.8736012739        2.6882666020
H             3.2607923140        1.2916979690        1.3869971000
O            -2.9156456850        2.0399669280        1.2113511170
H            -3.7556394220        2.4566385320        1.3999094830
H            -2.9879249930        1.1071595730        1.5762220290
O             2.8005961940       -1.9541093380        1.2981949240
H             2.9791930730       -1.0555348990        1.6225277180
H             2.8157490730       -1.8969359190        0.3265449160
O            -0.0010238263       -0.0490707032        0.0168018973
H            -0.7511176490        0.4433932501       -0.3855659299
H            -0.2298732217       -1.0041293330       -0.0264223271
O             0.7737058685       -3.1090469450       -2.2367213950
H             0.2333403804       -2.6043859470       -2.8689223010
H             0.2514277753       -3.0995697870       -1.4142029790
O             3.1089283640        2.3376482420        0.1582732823
H             2.4013904140        2.9753334010        0.3604891356
H             2.7637778170        1.7895560090       -0.5739790616
O             0.5778003336        0.6847014189        2.5418685370
H             1.5473207820        0.6631843787        2.5844614080
H             0.3578704386        0.4086479900        1.6257560170
O            -3.0091328710       -0.7415015362       -2.2225651580
H            -2.6668266410        0.1183747145       -1.9247106540
H            -2.2990248910       -1.1314190300       -2.7626395850
    63
 Energy=    -106.839454195130
O             0.2397502643        0.8360279740       -3.7019301820
H             0.9269269011        0.7749238717       -2.9978823940
H            -0.3920152100        1.4959098850       -3.4049455410
O            -0.6298173820        3.0663189820        2.3464844790
H            -1.4766576050        2.7824862010        1.9583166670
H            -0.1770479603        2.2284054140        2.5798352570
O             0.0554925852        3.2929918960       -1.8426905780
H             0.8565061297        2.9189592200       -2.2313150950
H             0.3360283896        3.6412266390       -0.9700878966
O             0.9744847800        4.0381086620        0.5731855618
H             0.3512527267        3.6644569970        1.2710898890
H             1.1254082860        4.9521083900        0.8130979791
O            -3.1955687610       -0.3861035112        2.0861164890
H            -2.4767747320       -0.7128214719        2.6709951430
H            -3.2651573970       -1.0279011380        1.3612873090
O            -1.8112990180        1.4893611270       -1.1670276440
H            -1.2241090690        2.2280249630       -1.4351297840
H            -2.2942710410        1.7913947520       -0.3735668209
O            -1.0737961720       -1.2599052150        3.4952107420
H            -0.4887764052       -0.4927591237        3.3625404740
H            -0.5681906724       -2.0126137540        3.1571421070
O             0.6544753628       -3.1193463600        2.2824482290
H             1.4647043610       -2.6448527200        1.9545223100
H             0.9589618182       -3.9622879000        2.6179047320
O            -0.6702157399       -2.6283145840        0.0028408925
H            -1.6410062330       -2.6054543060        0.0786473736
H            -0.3044817455       -2.9099003620        0.8632535554
O             2.9266968750       -1.8450484090       -1.4748486410
H             2.1159208210       -2.3406175710       -1.7853842150
H             3.6808690440       -2.3284096480       -1.8106293290
O             1.9222130760        0.6626028053       -1.6272461510
H             2.4548322640       -0.1489988854       -1.6936284840
H             1.2181866030        0.4180984699       -0.9711326598
O            -0.8799574049       -1.5249875350       -3.7869522430
H            -1.0414885600       -1.7561716510       -4.7013231510
H            -0.4372297453       -0.6342043791       -3.7962570010
O            -3.3273930620       -2.1630815390       -0.0499947314
H            -3.2562270390       -1.6129868070       -0.8799110896
H            -4.0960996310       -2.7220645870       -0.1610300469
O             3.2772173890        0.6410976683        2.1436576000
H             4.0278018450        0.8724402476        2.6895766890
H             3.2617277950        1.2914385400        1.3869815590
O            -2.9177876420        2.0390670410        1.2167718430
H            -3.7587980930        2.4550007960        1.4048615550
H            -2.9906483350        1.1060329380        1.5804425060
O             2.8017813970       -1.9570114610        1.3017945250
H             2.9793950840       -1.0576603650        1.6240513650
H             2.8184027560       -1.9025495130        0.3300354663
O             0.0010273292       -0.0486172576        0.0135284343
H            -0.7495301360        0.4433712027       -0.3887557982
H            -0.2301529741       -1.0035662560       -0.0281396159
O             0.7718388571       -3.1084043660       -2.2377287470
H             0.2337942771       -2.5994600050       -2.8683443090
H             0.2488135939       -3.0993788210       -1.4154150330
O             3.1113068140        2.3363612800        0.1582567282
H             2.4017799250        2.9721049960        0.3555251207
H             2.7701143110        1.7861604390       -0.5746905213
O             0.5779217910        0.6835008011        2.5401693890
H             1.5475330000        0.6624879500        2.5827849910
H             0.3580167406        0.4083675196        1.6237667240
O            -3.0107624970       -0.7424326426       -2.2219471840
H            -2.6708443180        0.1184461194       -1.9237461060
H            -2.2985675100       -1.1286140390       -2.7619332090
    63
 Energy=    -106.839286546490
O             0.2678860877        0.8638770823       -3.6842301750
H             0.9578973116        0.7787145364       -2.9849374240
H            -0.3575653445        1.5207621510       -3.3634548840
O            -0.6233259459        3.0643187660        2.3345237240
H            -1.4773577300        2.7833267070        1.9600857970
H            -0.1731485487        2.2263399700        2.5739481210
O             0.0101475603        3.3249677830       -1.8654630400
H             0.8095236220        3.0261109670       -2.3168002990
H             0.3132121245        3.6274171190       -0.9837870277
O             0.9716031982        4.0193174950        0.5459402065
H             0.3424587927        3.6571957570        1.2435750060
H             1.1165599780        4.9345853030        0.7837017295
O            -3.2002986790       -0.3905012169        2.0929017680
H            -2.4789548810       -0.7161284929        2.6752106000
H            -3.2679239300       -1.0293913100        1.3652246950
O            -1.8307999760        1.4833422720       -1.1597956910
H            -1.2583106670        2.2280723470       -1.4349818510
H            -2.3018743870        1.7865009250       -0.3583960451
O            -1.0726045360       -1.2586095330        3.4950617240
H            -0.4879706494       -0.4923388942        3.3572421900
H            -0.5687344047       -2.0126388180        3.1574201150
O             0.6518653242       -3.1213968880        2.2846351540
H             1.4640958760       -2.6479863820        1.9598763980
H             0.9540083557       -3.9646901940        2.6210530410
O            -0.6700473439       -2.6275624880        0.0036007919
H            -1.6405500700       -2.6031380980        0.0803275654
H            -0.3044562630       -2.9091960110        0.8638793554
O             2.9336427650       -1.8738975620       -1.4663440610
H             2.1184665140       -2.3601192670       -1.7791706180
H             3.6830881860       -2.3622972920       -1.8066627570
O             1.9470742330        0.6406194813       -1.6211815800
H             2.4744994230       -0.1744002275       -1.6802160090
H             1.2381806950        0.4063760184       -0.9677883147
O            -0.8672686020       -1.4992409110       -3.7766769220
H            -1.0285346030       -1.7205757990       -4.6940156150
H            -0.4259822573       -0.6088656194       -3.7769432300
O            -3.3279207770       -2.1657413750       -0.0474868648
H            -3.2590044980       -1.6178130810       -0.8788216276
H            -4.0947600070       -2.7274433950       -0.1556043940
O             3.2775786260        0.6382587905        2.1431462020
H             4.0263084010        0.8703458424        2.6914986000
H             3.2655064600        1.2898586040        1.3871119910
O            -2.9246465030        2.0375972190        1.2324164490
H            -3.7675105350        2.4513464030        1.4176431800
H            -2.9974965860        1.1021320430        1.5907776220
O             2.8055695490       -1.9641147820        1.3114598830
H             2.9801432800       -1.0622070130        1.6280185530
H             2.8249160380       -1.9176541490        0.3396392618
O             0.0040741643       -0.0486933010        0.0078723780
H            -0.7433843970        0.4456387350       -0.3954155070
H            -0.2285080666       -1.0036531880       -0.0330763329
O             0.7656531700       -3.1067173490       -2.2409967580
H             0.2338565696       -2.5848428000       -2.8669022100
H             0.2430937353       -3.0982696590       -1.4187289480
O             3.1168981930        2.3334481580        0.1563557294
H             2.4011120070        2.9659666980        0.3446132949
H             2.7902056160        1.7745640560       -0.5752632233
O             0.5777737449        0.6804455392        2.5343222410
H             1.5474428760        0.6605925799        2.5781102050
H             0.3594150653        0.4078783352        1.6169889440
O            -3.0155866710       -0.7444332058       -2.2212971970
H            -2.6844164930        0.1179516553       -1.9193095840
H            -2.2983030900       -1.1225534350       -2.7609248460
    63
 Energy=    -106.839063183960
O             0.3155449130        0.9080642293       -3.6503096940
H             1.0169363710        0.7998259820       -2.9660122050
H            -0.2985220801        1.5565375030       -3.2931863420
O            -0.6149478417        3.0612290370        2.3177251640
H            -1.4781861930        2.7851166580        1.9627109500
H            -0.1682293109        2.2227214200        2.5629318250
O            -0.0628612121        3.3566417800       -1.9106954920
H             0.7170400475        3.2445972710       -2.4589176960
H             0.2768936610        3.6171353900       -1.0285588260
O             0.9550277281        3.9904223410        0.4958660887
H             0.3317631242        3.6293880900        1.2009579250
H             1.1049789010        4.9083612610        0.7218893548
O            -3.2095589660       -0.3990528724        2.1044952170
H            -2.4825718750       -0.7222056881        2.6816571930
H            -3.2723467610       -1.0326028540        1.3718319370
O            -1.8645791270        1.4799779930       -1.1395242680
H            -1.3194375500        2.2318312240       -1.4376636420
H            -2.3223921140        1.7713792880       -0.3256244178
O            -1.0713706200       -1.2567404030        3.4944363230
H            -0.4867166542       -0.4916910707        3.3480483450
H            -0.5699888951       -2.0131599030        3.1582462400
O             0.6470570648       -3.1253928240        2.2887895410
H             1.4628228180       -2.6542644630        1.9696857210
H             0.9450304646       -3.9693258500        2.6275717380
O            -0.6702129432       -2.6262438220        0.0042431441
H            -1.6406423240       -2.5993889170        0.0832721715
H            -0.3037099338       -2.9070580340        0.8644568050
O             2.9469187220       -1.9304933960       -1.4488334910
H             2.1227627450       -2.3967819940       -1.7689127550
H             3.6874027390       -2.4235070810       -1.8004849440
O             1.9983552400        0.5994908507       -1.6043727950
H             2.5117560710       -0.2248844707       -1.6563213920
H             1.2747606500        0.3844252119       -0.9628218390
O            -0.8451981935       -1.4466612290       -3.7595931310
H            -1.0041180700       -1.6529085620       -4.6804775700
H            -0.3962988973       -0.5593962108       -3.7439666600
O            -3.3291844230       -2.1685763480       -0.0414278773
H            -3.2648403680       -1.6260355180       -0.8764913011
H            -4.0916966270       -2.7372120580       -0.1458737124
O             3.2778893240        0.6343836968        2.1428729080
H             4.0236887510        0.8667494433        2.6948771180
H             3.2708555970        1.2852665250        1.3859162640
O            -2.9386415570        2.0335171620        1.2575588270
H            -3.7833281490        2.4441861390        1.4415988240
H            -3.0099696160        1.0965374910        1.6129162880
O             2.8112851810       -1.9764832250        1.3307292890
H             2.9832341320       -1.0695665900        1.6344411230
H             2.8374798540       -1.9460678690        0.3584644817
O             0.0104486867       -0.0482203375       -0.0020091428
H            -0.7364829366        0.4477561352       -0.4023823075
H            -0.2229931501       -1.0030938090       -0.0424366405
O             0.7539417550       -3.1032977530       -2.2477665940
H             0.2339074370       -2.5574447470       -2.8630688900
H             0.2334570966       -3.0960551490       -1.4241867000
O             3.1345095780        2.3281853390        0.1553720348
H             2.4022125350        2.9468491200        0.3225037166
H             2.8259941630        1.7563345270       -0.5751179707
O             0.5775124800        0.6769581813        2.5216872600
H             1.5469723210        0.6566685368        2.5692786440
H             0.3635282626        0.4062892930        1.6022530960
O            -3.0297993440       -0.7527328550       -2.2222062520
H            -2.7164423580        0.1125999040       -1.9088188400
H            -2.3001892170       -1.1121235210       -2.7577126870
    63
 Energy=    -106.838982446280
O             0.3304843224        0.9200555115       -3.6369015060
H             1.0392036430        0.8110637693       -2.9607058000
H            -0.2797970777        1.5668838550       -3.2704230130
O            -0.6135440289        3.0608546980        2.3141469770
H            -1.4783297330        2.7846851900        1.9632072850
H            -0.1674214265        2.2216717990        2.5577547100
O            -0.0838015282        3.3639477330       -1.9289777990
H             0.6819125428        3.3255778740       -2.5055741890
H             0.2644829814        3.6172776750       -1.0472522940
O             0.9466337171        3.9798919080        0.4748900142
H             0.3325879998        3.6204740360        1.1880749700
H             1.0998243890        4.8975210930        0.7001711139
O            -3.2125268120       -0.4020230169        2.1081524280
H            -2.4839474740       -0.7242464034        2.6839069500
H            -3.2740300530       -1.0340597630        1.3739721350
O            -1.8739023610        1.4765297280       -1.1307736640
H            -1.3435140210        2.2336600670       -1.4363790250
H            -2.3296269390        1.7671688220       -0.3152705271
O            -1.0711241880       -1.2560989940        3.4939630640
H            -0.4863570587       -0.4915043773        3.3449914260
H            -0.5705211866       -2.0135133390        3.1587276480
O             0.6454013203       -3.1270283910        2.2900703870
H             1.4624662040       -2.6564768840        1.9732088090
H             0.9417428317       -3.9709759800        2.6300575360
O            -0.6703744885       -2.6253458290        0.0045166661
H            -1.6407530610       -2.5983690230        0.0842542244
H            -0.3033137601       -2.9062028490        0.8644871635
O             2.9512668060       -1.9512173620       -1.4418717220
H             2.1244423980       -2.4096480510       -1.7658462390
H             3.6891554550       -2.4451192300       -1.7985944730
O             2.0187320050        0.5855544934       -1.5961636130
H             2.5239650540       -0.2438969674       -1.6477204450
H             1.2882538100        0.3755228483       -0.9615954958
O            -0.8381978439       -1.4254747450       -3.7531197250
H            -0.9948644434       -1.6280274430       -4.6755982440
H            -0.3834927851       -0.5408668090       -3.7345068280
O            -3.3298196190       -2.1691826210       -0.0393110433
H            -3.2670264970       -1.6284392300       -0.8757827570
H            -4.0902903600       -2.7405538000       -0.1423671696
O             3.2779936550        0.6329515164        2.1428431810
H             4.0227786670        0.8654661931        2.6961932430
H             3.2722578150        1.2835710890        1.3854275700
O            -2.9439123190        2.0316613980        1.2660147740
H            -3.7887677520        2.4416898930        1.4499334550
H            -3.0143030970        1.0945555050        1.6219057690
O             2.8128162760       -1.9805565050        1.3376641400
H             2.9848230160       -1.0720233920        1.6366278090
H             2.8421964050       -1.9563231140        0.3653415562
O             0.0130590158       -0.0475318014       -0.0074388231
H            -0.7362756884        0.4478428166       -0.4035484001
H            -0.2211416444       -1.0020441400       -0.0454735296
O             0.7501996920       -3.1018794810       -2.2497972200
H             0.2341812561       -2.5481485800       -2.8615514300
H             0.2300731423       -3.0955623990       -1.4260058350
O             3.1409847470        2.3260774500        0.1542250804
H             2.4032571980        2.9397297320        0.3160728836
H             2.8390998080        1.7496032080       -0.5759244785
O             0.5776062921        0.6761299904        2.5170764800
H             1.5470156800        0.6552797699        2.5663539950
H             0.3649755606        0.4056137588        1.5971270100
O            -3.0359255740       -0.7566062631       -2.2222262670
H            -2.7292100370        0.1095522859       -1.9050622950
H            -2.3012497450       -1.1083613190       -2.7560871260
    63
 Energy=    -106.838974278140
O             0.3365893080        0.9244939962       -3.6333784450
H             1.0462194650        0.8159265899       -2.9581363970
H            -0.2759647461        1.5677224150       -3.2639395800
O            -0.6130927963        3.0607211670        2.3124898890
H            -1.4785576250        2.7847757080        1.9630474620
H            -0.1668967662        2.2215510370        2.5560911340
O            -0.0898836745        3.3697279200       -1.9373923360
H             0.6732197541        3.3500764950       -2.5182866880
H             0.2601909421        3.6161802740       -1.0546169110
O             0.9458892327        3.9762501200        0.4706199889
H             0.3326451047        3.6183930420        1.1853446710
H             1.0975220920        4.8946138060        0.6939460019
O            -3.2133198900       -0.4028595183        2.1091043880
H            -2.4844455360       -0.7249392217        2.6845627340
H            -3.2745898470       -1.0345854200        1.3745951860
O            -1.8780707730        1.4746463210       -1.1275343040
H            -1.3498254620        2.2315407800       -1.4355446050
H            -2.3329212250        1.7657162430       -0.3113213236
O            -1.0710153010       -1.2559170310        3.4938992450
H            -0.4862402544       -0.4914867257        3.3440901880
H            -0.5706644100       -2.0136051650        3.1588772850
O             0.6447987307       -3.1276131280        2.2903537560
H             1.4621989100       -2.6571474200        1.9742828360
H             0.9407689034       -3.9715078800        2.6308639640
O            -0.6703818150       -2.6249996780        0.0046450779
H            -1.6407399900       -2.5981878950        0.0845345221
H            -0.3032035283       -2.9059623020        0.8645433607
O             2.9527182140       -1.9571917590       -1.4400178460
H             2.1249205100       -2.4132945350       -1.7649600990
H             3.6895987330       -2.4514924900       -1.7979627360
O             2.0250166240        0.5808239284       -1.5946436150
H             2.5277422580       -0.2504233901       -1.6444440250
H             1.2925896840        0.3736288723       -0.9616360802
O            -0.8365398255       -1.4191941760       -3.7515445130
H            -0.9920806491       -1.6206463570       -4.6743204040
H            -0.3803388905       -0.5352286454       -3.7316222380
O            -3.3298950250       -2.1692179430       -0.0386713501
H            -3.2677669250       -1.6289108600       -0.8755131988
H            -4.0898037470       -2.7414680170       -0.1413948180
O             3.2780272870        0.6325891327        2.1426895660
H             4.0224600890        0.8651536290        2.6964488720
H             3.2727833410        1.2832951370        1.3852905670
O            -2.9452042230        2.0312091660        1.2689948410
H            -3.7903574330        2.4410588500        1.4522300280
H            -3.0155952720        1.0938547390        1.6244121210
O             2.8134863010       -1.9817211690        1.3397382600
H             2.9853718770       -1.0726320850        1.6371407180
H             2.8435543550       -1.9593655020        0.3674250806
O             0.0137109030       -0.0472358436       -0.0091480991
H            -0.7362847160        0.4481043294       -0.4039005850
H            -0.2211658156       -1.0016560400       -0.0464991671
O             0.7490880074       -3.1016528140       -2.2503401530
H             0.2344051879       -2.5454684910       -2.8610366420
H             0.2291500815       -3.0955228530       -1.4264587900
O             3.1426016550        2.3249635570        0.1539748937
H             2.4036057650        2.9376411260        0.3143784967
H             2.8430709530        1.7476281640       -0.5763606768
O             0.5775957472        0.6757340782        2.5157806280
H             1.5470163420        0.6548364485        2.5654943850
H             0.3654428910        0.4055570523        1.5956106610
O            -3.0378517290       -0.7576831299       -2.2223001460
H            -2.7332657170        0.1085953986       -1.9036892740
H            -2.3015245410       -1.1074344310       -2.7553762790
    63
 Energy=    -106.838973873710
O             0.3366899557        0.9246032403       -3.6333287840
H             1.0463354470        0.8159517335       -2.9580929880
H            -0.2759754824        1.5677159200       -3.2638915180
O            -0.6130829067        3.0607256950        2.3124627920
H            -1.4785568370        2.7847824970        1.9630396030
H            -0.1668876608        2.2215499860        2.5560724850
O            -0.0895615595        3.3699698690       -1.9374419770
H             0.6731333350        3.3502255660       -2.5189086810
H             0.2597905840        3.6161784530       -1.0542688060
O             0.9459127880        3.9762143510        0.4705866932
H             0.3326299473        3.6183541910        1.1852931620
H             1.0974975910        4.8945943150        0.6938745787
O            -3.2133347300       -0.4028733808        2.1091184970
H            -2.4844487410       -0.7249481602        2.6845687090
H            -3.2745946430       -1.0345903880        1.3746007540
O            -1.8781583560        1.4745861580       -1.1274912990
H            -1.3499062940        2.2314599450       -1.4355183060
H            -2.3329667960        1.7657004840       -0.3112653696
O            -1.0710110050       -1.2559162000        3.4939035140
H            -0.4862398672       -0.4914863153        3.3440786360
H            -0.5706658064       -2.0136054860        3.1588772070
O             0.6447888422       -3.1276204280        2.2903578060
H             1.4621922880       -2.6571558520        1.9742945360
H             0.9407597056       -3.9715147330        2.6308732050
O            -0.6703808476       -2.6250022040        0.0046441136
H            -1.6407386540       -2.5981845030        0.0845381829
H            -0.3032033976       -2.9059583110        0.8645448042
O             2.9527375240       -1.9572501990       -1.4400043090
H             2.1249235510       -2.4133319860       -1.7649470310
H             3.6896035730       -2.4515615100       -1.7979542940
O             2.0250784910        0.5807609348       -1.5946419140
H             2.5277876970       -0.2504958193       -1.6444015580
H             1.2926358390        0.3736226719       -0.9616387556
O            -0.8365216068       -1.4191453480       -3.7515322120
H            -0.9920540203       -1.6205696800       -4.6743118900
H            -0.3803260266       -0.5351736784       -3.7315793690
O            -3.3298942160       -2.1692191300       -0.0386653212
H            -3.2677734950       -1.6289109530       -0.8755095841
H            -4.0898002720       -2.7414789370       -0.1413843759
O             3.2780313160        0.6325829710        2.1426882760
H             4.0224591910        0.8651502728        2.6964549020
H             3.2727860040        1.2832924120        1.3852881610
O            -2.9452118410        2.0312123960        1.2690381870
H            -3.7903782070        2.4410541100        1.4522535370
H            -3.0156094280        1.0938451240        1.6244313200
O             2.8135024660       -1.9817321500        1.3397599460
H             2.9853762230       -1.0726356450        1.6371477920
H             2.8435659410       -1.9594010650        0.3674456236
O             0.0137188706       -0.0472288614       -0.0091689129
H            -0.7362777256        0.4481138150       -0.4039053459
H            -0.2211740897       -1.0016499400       -0.0465125508
O             0.7490665438       -3.1016517320       -2.2503486130
H             0.2344103483       -2.5454356970       -2.8610364950
H             0.2291439306       -3.0955248930       -1.4264560970
O             3.1426211810        2.3249660420        0.1539606554
H             2.4036040630        2.9376116210        0.3143689928
H             2.8431114780        1.7475983500       -0.5763589813
O             0.5775945791        0.6757226406        2.5157683550
H             1.5470175120        0.6548319579        2.5654854240
H             0.3654451826        0.4055597180        1.5955917390
O            -3.0378707220       -0.7576918310       -2.2223012680
H            -2.7333076480        0.1085878138       -1.9036711670
H            -2.3015280050       -1.1074226410       -2.7553649350
    63
 Energy=    -106.838967215390
O             0.3367231002        0.9245753779       -3.6333813210
H             1.0463911020        0.8159519198       -2.9580541000
H            -0.2760266922        1.5677656510       -3.2638552880
O            -0.6130748975        3.0607280630        2.3124647730
H            -1.4785645300        2.7847813190        1.9630348070
H            -0.1668859808        2.2215503640        2.5560684730
O            -0.0904038793        3.3700002140       -1.9369178400
H             0.6739758664        3.3502292680       -2.5196987790
H             0.2597596254        3.6162151170       -1.0540576570
O             0.9459215017        3.9762111760        0.4705709465
H             0.3326251424        3.6183468490        1.1852858290
H             1.0974928310        4.8945889010        0.6938634834
O            -3.2133366330       -0.4028754925        2.1091227980
H            -2.4844498210       -0.7249493965        2.6845693300
H            -3.2745955990       -1.0345923570        1.3746007030
O            -1.8781873100        1.4745550310       -1.1274821870
H            -1.3499083870        2.2314663150       -1.4355199470
H            -2.3329760980        1.7657012490       -0.3112495145
O            -1.0710122080       -1.2559176320        3.4939046240
H            -0.4862382741       -0.4914842717        3.3440760840
H            -0.5706657453       -2.0136056450        3.1588770470
O             0.6447863881       -3.1276240410        2.2903595740
H             1.4621918060       -2.6571568670        1.9742963590
H             0.9407575935       -3.9715143860        2.6308742720
O            -0.6703796330       -2.6250026970        0.0046434114
H            -1.6407390450       -2.5981839880        0.0845392567
H            -0.3032033970       -2.9059574870        0.8645452122
O             2.9527461880       -1.9572560470       -1.4399984850
H             2.1249187130       -2.4133423890       -1.7649468940
H             3.6896061320       -2.4515757830       -1.7979536110
O             2.0250963230        0.5807558431       -1.5946490080
H             2.5277990190       -0.2505133188       -1.6443932230
H             1.2926373710        0.3736192627       -0.9616318978
O            -0.8365170079       -1.4191335560       -3.7515259140
H            -0.9920498441       -1.6205566400       -4.6743148320
H            -0.3803250849       -0.5351652120       -3.7315710900
O            -3.3298955330       -2.1692209760       -0.0386627661
H            -3.2677746550       -1.6289103010       -0.8755101437
H            -4.0897987330       -2.7414803010       -0.1413822653
O             3.2780315370        0.6325812893        2.1426871380
H             4.0224598880        0.8651500661        2.6964567670
H             3.2727858650        1.2832917290        1.3852879880
O            -2.9452145530        2.0312098420        1.2690444790
H            -3.7903814860        2.4410532360        1.4522579010
H            -3.0156115460        1.0938455970        1.6244340950
O             2.8135047410       -1.9817386290        1.3397696400
H             2.9853777390       -1.0726318820        1.6371504400
H             2.8435681820       -1.9594072810        0.3674424950
O             0.0137204803       -0.0472301698       -0.0091713139
H            -0.7362767520        0.4481158437       -0.4039062925
H            -0.2211755812       -1.0016485510       -0.0465148875
O             0.7490703691       -3.1016602520       -2.2503431500
H             0.2344038781       -2.5454215680       -2.8610459000
H             0.2291416272       -3.0955254140       -1.4264533150
O             3.1426395140        2.3249643030        0.1539634849
H             2.4035919830        2.9376155380        0.3143703926
H             2.8431155040        1.7475864860       -0.5763665361
O             0.5775960487        0.6757190754        2.5157669870
H             1.5470162350        0.6548316217        2.5654835560
H             0.3654456897        0.4055607485        1.5955880560
O            -3.0378829530       -0.7576946763       -2.2222982020
H            -2.7333133970        0.1085911172       -1.9036666910
H            -2.3015216230       -1.1074236030       -2.7553678710
    63
 Energy=    -106.838967187260
O             0.3477870871        0.9338708248       -3.6232230630
H             1.0621545780        0.8173991876       -2.9546977900
H            -0.2521642983        1.5849490470       -3.2462710830
O            -0.6111463674        3.0604258960        2.3074102850
H            -1.4786218510        2.7847042020        1.9629553280
H            -0.1652056468        2.2212564910        2.5517352930
O            -0.1049563800        3.3717886050       -1.9498705950
H             0.6432637269        3.4111450190       -2.5485613070
H             0.2530537267        3.6059700800       -1.0668118590
O             0.9419400536        3.9676786580        0.4565287533
H             0.3306955153        3.6119947140        1.1741267850
H             1.0952887720        4.8862154710        0.6781032801
O            -3.2150287020       -0.4046555734        2.1116239010
H            -2.4851802790       -0.7262304179        2.6861971970
H            -3.2753053160       -1.0352225600        1.3760025420
O            -1.8882304820        1.4716565590       -1.1219605830
H            -1.3689076800        2.2301603470       -1.4376328500
H            -2.3392219540        1.7627022400       -0.3034202656
O            -1.0705663920       -1.2552795200        3.4940040810
H            -0.4859070044       -0.4911394688        3.3420815130
H            -0.5707741012       -2.0135434370        3.1594388480
O             0.6438682621       -3.1283828100        2.2912950040
H             1.4620749600       -2.6585207890        1.9763405250
H             0.9386981286       -3.9727898760        2.6315241990
O            -0.6701614381       -2.6241271710        0.0050058024
H            -1.6405189340       -2.5970888370        0.0850506627
H            -0.3029661510       -2.9050020720        0.8649063538
O             2.9561643880       -1.9704189350       -1.4358841030
H             2.1262115540       -2.4212158380       -1.7628091910
H             3.6908230970       -2.4665684480       -1.7957775370
O             2.0383339590        0.5707500972       -1.5896212600
H             2.5370975440       -0.2629229317       -1.6374215590
H             1.3016010160        0.3678806571       -0.9606381676
O            -0.8326532749       -1.4059662580       -3.7458194100
H            -0.9860900559       -1.6040562930       -4.6696751000
H            -0.3766313603       -0.5218723174       -3.7218628120
O            -3.3297909830       -2.1696343130       -0.0374311006
H            -3.2685400260       -1.6302970470       -0.8751027050
H            -4.0887364580       -2.7432862440       -0.1394752791
O             3.2778221410        0.6312517129        2.1426926820
H             4.0214094130        0.8636414562        2.6976563880
H             3.2737438250        1.2822809610        1.3854200730
O            -2.9484766650        2.0305973860        1.2757852430
H            -3.7940685790        2.4395340230        1.4590477240
H            -3.0182718620        1.0926171090        1.6300571580
O             2.8147674520       -1.9847430970        1.3435800160
H             2.9860435520       -1.0746544930        1.6382746460
H             2.8464654810       -1.9658702300        0.3712608968
O             0.0147422640       -0.0463110361       -0.0128786737
H            -0.7356679724        0.4487061508       -0.4067869839
H            -0.2206364977       -1.0006419250       -0.0490366740
O             0.7469532766       -3.1001139160       -2.2515302080
H             0.2350385775       -2.5386232860       -2.8597680760
H             0.2272259161       -3.0945255610       -1.4275157500
O             3.1462682320        2.3233293270        0.1538979820
H             2.4039563920        2.9331845210        0.3094537781
H             2.8515529690        1.7428913220       -0.5761068470
O             0.5773439366        0.6750461881        2.5125624200
H             1.5467548160        0.6536829331        2.5629781290
H             0.3657315484        0.4053793897        1.5920472930
O            -3.0413259370       -0.7598493033       -2.2221945650
H            -2.7404425050        0.1070301482       -1.9015782340
H            -2.3021699050       -1.1054091180       -2.7541716660
    63
 Energy=    -106.838960579400
O             0.3477870871        0.9338708248       -3.6232230630
H             1.0621545780        0.8173991876       -2.9546977900
H            -0.2521642983        1.5849490470       -3.2462710830
O            -0.6111463674        3.0604258960        2.3074102850
H            -1.4786218510        2.7847042020        1.9629553280
H            -0.1652056468        2.2212564910        2.5517352930
O            -0.1049563800        3.3717886050       -1.9498705950
H             0.6432637269        3.4111450190       -2.5485613070
H             0.2530537267        3.6059700800       -1.0668118590
O             0.9419400536        3.9676786580        0.4565287533
H             0.3306955153        3.6119947140        1.1741267850
H             1.0952887720        4.8862154710        0.6781032801
O            -3.2150287020       -0.4046555734        2.1116239010
H            -2.4851802790       -0.7262304179        2.6861971970
H            -3.2753053160       -1.0352225600        1.3760025420
O            -1.8882304820        1.4716565590       -1.1219605830
H            -1.3689076800        2.2301603470       -1.4376328500
H            -2.3392219540        1.7627022400       -0.3034202656
O            -1.0705663920       -1.2552795200        3.4940040810
H            -0.4859070044       -0.4911394688        3.3420815130
H            -0.5707741012       -2.0135434370        3.1594388480
O             0.6438682621       -3.1283828100        2.2912950040
H             1.4620749600       -2.6585207890        1.9763405250
H             0.9386981286       -3.9727898760        2.6315241990
O            -0.6701614381       -2.6241271710        0.0050058024
H            -1.6405189340       -2.5970888370        0.0850506627
H            -0.3029661510       -2.9050020720        0.8649063538
O             2.9561643880       -1.9704189350       -1.4358841030
H             2.1262115540       -2.4212158380       -1.7628091910
H             3.6908230970       -2.4665684480       -1.7957775370
O             2.0383339590        0.5707500972       -1.5896212600
H             2.5370975440       -0.2629229317       -1.6374215590
H             1.3016010160        0.3678806571       -0.9606381676
O            -0.8326532749       -1.4059662580       -3.7458194100
H            -0.9860900559       -1.6040562930       -4.6696751000
H            -0.3766313603       -0.5218723174       -3.7218628120
O            -3.3297909830       -2.1696343130       -0.0374311006
H            -3.2685400260       -1.6302970470       -0.8751027050
H            -4.0887364580       -2.7432862440       -0.1394752791
O             3.2778221410        0.6312517129        2.1426926820
H             4.0214094130        0.8636414562        2.6976563880
H             3.2737438250        1.2822809610        1.3854200730
O            -2.9484766650        2.0305973860        1.2757852430
H            -3.7940685790        2.4395340230        1.4590477240
H            -3.0182718620        1.0926171090        1.6300571580
O             2.8147674520       -1.9847430970        1.3435800160
H             2.9860435520       -1.0746544930        1.6382746460
H             2.8464654810       -1.9658702300        0.3712608968
O             0.0147422640       -0.0463110361       -0.0128786737
H            -0.7356679724        0.4487061508       -0.4067869839
H            -0.2206364977       -1.0006419250       -0.0490366740
O             0.7469532766       -3.1001139160       -2.2515302080
H             0.2350385775       -2.5386232860       -2.8597680760
H             0.2272259161       -3.0945255610       -1.4275157500
O             3.1462682320        2.3233293270        0.1538979820
H             2.4039563920        2.9331845210        0.3094537781
H             2.8515529690        1.7428913220       -0.5761068470
O             0.5773439366        0.6750461881        2.5125624200
H             1.5467548160        0.6536829331        2.5629781290
H             0.3657315484        0.4053793897        1.5920472930
O            -3.0413259370       -0.7598493033       -2.2221945650
H            -2.7404425050        0.1070301482       -1.9015782340
H            -2.3021699050       -1.1054091180       -2.7541716660
    63
 Energy=    -106.838968717480
O             0.3366899557        0.9246032403       -3.6333287840
H             1.0463354470        0.8159517335       -2.9580929880
H            -0.2759754824        1.5677159200       -3.2638915180
O            -0.6130829067        3.0607256950        2.3124627920
H            -1.4785568370        2.7847824970        1.9630396030
H            -0.1668876608        2.2215499860        2.5560724850
O            -0.0895615595        3.3699698690       -1.9374419770
H             0.6731333350        3.3502255660       -2.5189086810
H             0.2597905840        3.6161784530       -1.0542688060
O             0.9459127880        3.9762143510        0.4705866932
H             0.3326299473        3.6183541910        1.1852931620
H             1.0974975910        4.8945943150        0.6938745787
O            -3.2133347300       -0.4028733808        2.1091184970
H            -2.4844487410       -0.7249481602        2.6845687090
H            -3.2745946430       -1.0345903880        1.3746007540
O            -1.8781583560        1.4745861580       -1.1274912990
H            -1.3499062940        2.2314599450       -1.4355183060
H            -2.3329667960        1.7657004840       -0.3112653696
O            -1.0710110050       -1.2559162000        3.4939035140
H            -0.4862398672       -0.4914863153        3.3440786360
H            -0.5706658064       -2.0136054860        3.1588772070
O             0.6447888422       -3.1276204280        2.2903578060
H             1.4621922880       -2.6571558520        1.9742945360
H             0.9407597056       -3.9715147330        2.6308732050
O            -0.6703808476       -2.6250022040        0.0046441136
H            -1.6407386540       -2.5981845030        0.0845381829
H            -0.3032033976       -2.9059583110        0.8645448042
O             2.9527375240       -1.9572501990       -1.4400043090
H             2.1249235510       -2.4133319860       -1.7649470310
H             3.6896035730       -2.4515615100       -1.7979542940
O             2.0250784910        0.5807609348       -1.5946419140
H             2.5277876970       -0.2504958193       -1.6444015580
H             1.2926358390        0.3736226719       -0.9616387556
O            -0.8365216068       -1.4191453480       -3.7515322120
H            -0.9920540203       -1.6205696800       -4.6743118900
H            -0.3803260266       -0.5351736784       -3.7315793690
O            -3.3298942160       -2.1692191300       -0.0386653212
H            -3.2677734950       -1.6289109530       -0.8755095841
H            -4.0898002720       -2.7414789370       -0.1413843759
O             3.2780313160        0.6325829710        2.1426882760
H             4.0224591910        0.8651502728        2.6964549020
H             3.2727860040        1.2832924120        1.3852881610
O            -2.9452118410        2.0312123960        1.2690381870
H            -3.7903782070        2.4410541100        1.4522535370
H            -3.0156094280        1.0938451240        1.6244313200
O             2.8135024660       -1.9817321500        1.3397599460
H             2.9853762230       -1.0726356450        1.6371477920
H             2.8435659410       -1.9594010650        0.3674456236
O             0.0137188706       -0.0472288614       -0.0091689129
H            -0.7362777256        0.4481138150       -0.4039053459
H            -0.2211740897       -1.0016499400       -0.0465125508
O             0.7490665438       -3.1016517320       -2.2503486130
H             0.2344103483       -2.5454356970       -2.8610364950
H             0.2291439306       -3.0955248930       -1.4264560970
O             3.1426211810        2.3249660420        0.1539606554
H             2.4036040630        2.9376116210        0.3143689928
H             2.8431114780        1.7475983500       -0.5763589813
O             0.5775945791        0.6757226406        2.5157683550
H             1.5470175120        0.6548319579        2.5654854240
H             0.3654451826        0.4055597180        1.5955917390
O            -3.0378707220       -0.7576918310       -2.2223012680
H            -2.7333076480        0.1085878138       -1.9036711670
H            -2.3015280050       -1.1074226410       -2.7553649350
    63
 Energy=    -106.838968849250
O             0.3366800592        0.9245937955       -3.6333306240
H             1.0463218390        0.8159504919       -2.9580990230
H            -0.2759713953        1.5677143780       -3.2638967480
O            -0.6130841034        3.0607247420        2.3124645860
H            -1.4785562810        2.7847820740        1.9630407280
H            -0.1668886235        2.2215503570        2.5560742010
O            -0.0895897311        3.3699502020       -1.9374187270
H             0.6731393420        3.3502142830       -2.5188383080
H             0.2598273767        3.6161722060       -1.0543318460
O             0.9459084750        3.9762183360        0.4705921558
H             0.3326323286        3.6183581250        1.1852972040
H             1.0974997690        4.8945948590        0.6938804000
O            -3.2133335900       -0.4028717723        2.1091167490
H            -2.4844481580       -0.7249475140        2.6845684410
H            -3.2745942160       -1.0345899480        1.3746003020
O            -1.8781492930        1.4745949680       -1.1274942630
H            -1.3498987620        2.2314667810       -1.4355212260
H            -2.3329622110        1.7657010270       -0.3112716838
O            -1.0710112930       -1.2559164520        3.4939029550
H            -0.4862398931       -0.4914864014        3.3440797600
H            -0.5706658075       -2.0136052700        3.1588773360
O             0.6447898874       -3.1276195400        2.2903573210
H             1.4621928460       -2.6571551130        1.9742934780
H             0.9407605736       -3.9715141990        2.6308723860
O            -0.6703809369       -2.6250018370        0.0046443315
H            -1.6407388240       -2.5981848540        0.0845378015
H            -0.3032033948       -2.9059587090        0.8645446194
O             2.9527358530       -1.9572457450       -1.4400061230
H             2.1249237630       -2.4133281730       -1.7649480730
H             3.6896023850       -2.4515545190       -1.7979547090
O             2.0250727030        0.5807651861       -1.5946411330
H             2.5277827940       -0.2504879140       -1.6444055930
H             1.2926323440        0.3736235147       -0.9616393118
O            -0.8365236359       -1.4191501200       -3.7515338760
H            -0.9920563745       -1.6205766880       -4.6743120860
H            -0.3803267006       -0.5351781514       -3.7315834310
O            -3.3298941180       -2.1692185450       -0.0386663210
H            -3.2677729340       -1.6289113030       -0.8755094789
H            -4.0898006890       -2.7414779980       -0.1413853751
O             3.2780307000        0.6325834774        2.1426884870
H             4.0224593540        0.8651506176        2.6964543390
H             3.2727858720        1.2832928560        1.3852881500
O            -2.9452105520        2.0312121610        1.2690337770
H            -3.7903766280        2.4410546600        1.4522514550
H            -3.0156082090        1.0938457470        1.6244297590
O             2.8135008360       -1.9817310450        1.3397579110
H             2.9853758300       -1.0726355120        1.6371470100
H             2.8435649140       -1.9593976890        0.3674438659
O             0.0137169049       -0.0472292279       -0.0091673255
H            -0.7362773780        0.4481121820       -0.4039044739
H            -0.2211730902       -1.0016502160       -0.0465113035
O             0.7490681729       -3.1016513760       -2.2503479750
H             0.2344102455       -2.5454392360       -2.8610359040
H             0.2291446221       -3.0955246570       -1.4264567740
O             3.1426189380        2.3249653070        0.1539621694
H             2.4036048190        2.9376139870        0.3143693247
H             2.8431077850        1.7476017880       -0.5763588781
O             0.5775946655        0.6757240384        2.5157694590
H             1.5470173640        0.6548323237        2.5654862340
H             0.3654450507        0.4055593577        1.5955934780
O            -3.0378681540       -0.7576911051       -2.2223015550
H            -2.7333039550        0.1085880701       -1.9036730240
H            -2.3015283790       -1.1074234690       -2.7553655200
    63
 Energy=    -106.838970115150
O             0.3355680828        0.9236938143       -3.6338150910
H             1.0451711350        0.8150968919       -2.9586416970
H            -0.2764818709        1.5677936190       -3.2649141340
O            -0.6131912019        3.0607420030        2.3128376910
H            -1.4785173700        2.7847279010        1.9630769110
H            -0.1670029932        2.2215513500        2.5563291750
O            -0.0887074566        3.3686396470       -1.9357980550
H             0.6743619719        3.3463531300       -2.5167095610
H             0.2606807976        3.6164855740       -1.0532228490
O             0.9458541091        3.9767744230        0.4709571586
H             0.3327779175        3.6188130650        1.1856552000
H             1.0978463120        4.8949087950        0.6949173488
O            -3.2132005910       -0.4027329111        2.1089702630
H            -2.4843667370       -0.7248270446        2.6844690760
H            -3.2745067230       -1.0345069050        1.3744978180
O            -1.8772707590        1.4748663840       -1.1280911200
H            -1.3490959860        2.2320362680       -1.4355631620
H            -2.3322662180        1.7660432910       -0.3120682295
O            -1.0710366680       -1.2559403840        3.4938991290
H            -0.4862595554       -0.4914859113        3.3442265840
H            -0.5706443748       -2.0135979600        3.1588565340
O             0.6448983553       -3.1275216900        2.2903148330
H             1.4622531150       -2.6570456800        1.9741226010
H             0.9409114849       -3.9714246980        2.6307401890
O            -0.6703853216       -2.6250456800        0.0046191166
H            -1.6407426750       -2.5982109860        0.0844952758
H            -0.3032200005       -2.9059974880        0.8645304854
O             2.9524877590       -1.9563259130       -1.4402685270
H             2.1248578020       -2.4127627550       -1.7650991940
H             3.6895339220       -2.4505430570       -1.7980633500
O             2.0240854460        0.5816127979       -1.5947600760
H             2.5271295520       -0.2493869597       -1.6449782710
H             1.2919457610        0.3738138844       -0.9616126996
O            -0.8367701908       -1.4201059220       -3.7517368060
H            -0.9924806560       -1.6217188110       -4.6744804190
H            -0.3807357887       -0.5360741307       -3.7321108400
O            -3.3298944860       -2.1692203220       -0.0387740363
H            -3.2676500520       -1.6288503030       -0.8755619403
H            -4.0898790630       -2.7413387850       -0.1415305036
O             3.2780205930        0.6326205781        2.1427330400
H             4.0225049570        0.8651973650        2.6964142950
H             3.2726994040        1.2833162550        1.3853275720
O            -2.9450412080        2.0312662690        1.2685302530
H            -3.7901271800        2.4411569000        1.4518947340
H            -3.0153956640        1.0939478960        1.6240685770
O             2.8133634050       -1.9815451140        1.3394234710
H             2.9852905840       -1.0725452930        1.6370819010
H             2.8433585680       -1.9589190740        0.3671104066
O             0.0136144088       -0.0472790349       -0.0089430914
H            -0.7363165871        0.4480571921       -0.4038315138
H            -0.2211158501       -1.0017112680       -0.0463240558
O             0.7492569674       -3.1016660440       -2.2502461140
H             0.2343635640       -2.5458662200       -2.8611269780
H             0.2292842301       -3.0955290820       -1.4263989920
O             3.1423470190        2.3251597600        0.1539260622
H             2.4035334400        2.9380237780        0.3147039147
H             2.8425222410        1.7478627560       -0.5763103778
O             0.5776018047        0.6758095619        2.5159703210
H             1.5470266730        0.6549072820        2.5656284170
H             0.3653643558        0.4055532946        1.5958443130
O            -3.0375572350       -0.7575158076       -2.2222574950
H            -2.7326590630        0.1087278199       -1.9039199680
H            -2.3014851090       -1.1075607130       -2.7555040370
    63
 Energy=    -106.838973405380
O             0.3304843224        0.9200555115       -3.6369015060
H             1.0392036430        0.8110637693       -2.9607058000
H            -0.2797970777        1.5668838550       -3.2704230130
O            -0.6135440289        3.0608546980        2.3141469770
H            -1.4783297330        2.7846851900        1.9632072850
H            -0.1674214265        2.2216717990        2.5577547100
O            -0.0838015282        3.3639477330       -1.9289777990
H             0.6819125428        3.3255778740       -2.5055741890
H             0.2644829814        3.6172776750       -1.0472522940
O             0.9466337171        3.9798919080        0.4748900142
H             0.3325879998        3.6204740360        1.1880749700
H             1.0998243890        4.8975210930        0.7001711139
O            -3.2125268120       -0.4020230169        2.1081524280
H            -2.4839474740       -0.7242464034        2.6839069500
H            -3.2740300530       -1.0340597630        1.3739721350
O            -1.8739023610        1.4765297280       -1.1307736640
H            -1.3435140210        2.2336600670       -1.4363790250
H            -2.3296269390        1.7671688220       -0.3152705271
O            -1.0711241880       -1.2560989940        3.4939630640
H            -0.4863570587       -0.4915043773        3.3449914260
H            -0.5705211866       -2.0135133390        3.1587276480
O             0.6454013203       -3.1270283910        2.2900703870
H             1.4624662040       -2.6564768840        1.9732088090
H             0.9417428317       -3.9709759800        2.6300575360
O            -0.6703744885       -2.6253458290        0.0045166661
H            -1.6407530610       -2.5983690230        0.0842542244
H            -0.3033137601       -2.9062028490        0.8644871635
O             2.9512668060       -1.9512173620       -1.4418717220
H             2.1244423980       -2.4096480510       -1.7658462390
H             3.6891554550       -2.4451192300       -1.7985944730
O             2.0187320050        0.5855544934       -1.5961636130
H             2.5239650540       -0.2438969674       -1.6477204450
H             1.2882538100        0.3755228483       -0.9615954958
O            -0.8381978439       -1.4254747450       -3.7531197250
H            -0.9948644434       -1.6280274430       -4.6755982440
H            -0.3834927851       -0.5408668090       -3.7345068280
O            -3.3298196190       -2.1691826210       -0.0393110433
H            -3.2670264970       -1.6284392300       -0.8757827570
H            -4.0902903600       -2.7405538000       -0.1423671696
O             3.2779936550        0.6329515164        2.1428431810
H             4.0227786670        0.8654661931        2.6961932430
H             3.2722578150        1.2835710890        1.3854275700
O            -2.9439123190        2.0316613980        1.2660147740
H            -3.7887677520        2.4416898930        1.4499334550
H            -3.0143030970        1.0945555050        1.6219057690
O             2.8128162760       -1.9805565050        1.3376641400
H             2.9848230160       -1.0720233920        1.6366278090
H             2.8421964050       -1.9563231140        0.3653415562
O             0.0130590158       -0.0475318014       -0.0074388231
H            -0.7362756884        0.4478428166       -0.4035484001
H            -0.2211416444       -1.0020441400       -0.0454735296
O             0.7501996920       -3.1018794810       -2.2497972200
H             0.2341812561       -2.5481485800       -2.8615514300
H             0.2300731423       -3.0955623990       -1.4260058350
O             3.1409847470        2.3260774500        0.1542250804
H             2.4032571980        2.9397297320        0.3160728836
H             2.8390998080        1.7496032080       -0.5759244785
O             0.5776062921        0.6761299904        2.5170764800
H             1.5470156800        0.6552797699        2.5663539950
H             0.3649755606        0.4056137588        1.5971270100
O            -3.0359255740       -0.7566062631       -2.2222262670
H            -2.7292100370        0.1095522859       -1.9050622950
H            -2.3012497450       -1.1083613190       -2.7560871260
    63
 Energy=    -106.838977950900
O             0.3292187140        0.9191358226       -3.6380123030
H             1.0373610600        0.8100366482       -2.9611360380
H            -0.2811319025        1.5661851500       -3.2721834940
O            -0.6136221193        3.0608857090        2.3143950620
H            -1.4783072270        2.7847360060        1.9632006760
H            -0.1674805811        2.2217375230        2.5582103750
O            -0.0823262427        3.3631863360       -1.9273502980
H             0.6846526803        3.3190661520       -2.5017697310
H             0.2656107187        3.6172271100       -1.0458056800
O             0.9472466840        3.9808187020        0.4766191354
H             0.3323776628        3.6210119400        1.1890383390
H             1.1003564710        4.8984856890        0.7018417781
O            -3.2123024270       -0.4017966938        2.1078724650
H            -2.4838315270       -0.7240804548        2.6837219970
H            -3.2738856580       -1.0339264140        1.3738105350
O            -1.8731806480        1.4769601710       -1.1315027940
H            -1.3414719430        2.2336883870       -1.4366504620
H            -2.3290539390        1.7674274190       -0.3160505740
O            -1.0711338450       -1.2561495410        3.4939996060
H            -0.4863901298       -0.4915240783        3.3452332620
H            -0.5704812928       -2.0134759780        3.1586867080
O             0.6455393284       -3.1268860510        2.2899784990
H             1.4624989920       -2.6563010600        1.9729232430
H             0.9420094631       -3.9708421910        2.6298517890
O            -0.6703619859       -2.6254395570        0.0045000095
H            -1.6407459000       -2.5984367520        0.0841751918
H            -0.3033481422       -2.9062687280        0.8644783142
O             2.9509255760       -1.9495493660       -1.4424316430
H             2.1242947130       -2.4086338330       -1.7660800040
H             3.6890179340       -2.4433911720       -1.7987450470
O             2.0170706420        0.5866718779       -1.5968470300
H             2.5230195540       -0.2423125928       -1.6484561290
H             1.2871070300        0.3762334951       -0.9616377166
O            -0.8387170926       -1.4272209830       -3.7536441170
H            -0.9956275822       -1.6300496420       -4.6759893900
H            -0.3845235896       -0.5423716099       -3.7352021270
O            -3.3297687920       -2.1691472670       -0.0394709547
H            -3.2668454500       -1.6282709520       -0.8758400271
H            -4.0904144990       -2.7402923350       -0.1426492724
O             3.2779879940        0.6330843034        2.1428415550
H             4.0228562190        0.8655631250        2.6960963430
H             3.2721428080        1.2836906180        1.3854592600
O            -2.9434963870        2.0318082070        1.2653052970
H            -3.7883311190        2.4418740210        1.4492823030
H            -3.0139606880        1.0947391700        1.6211675760
O             2.8126940590       -1.9802346390        1.3371080700
H             2.9846809950       -1.0718429420        1.6364534540
H             2.8418148610       -1.9554952630        0.3647919754
O             0.0128722707       -0.0475931630       -0.0069219603
H            -0.7362440242        0.4478287663       -0.4034839108
H            -0.2212620564       -1.0021656440       -0.0452380598
O             0.7504910429       -3.1019895800       -2.2496585660
H             0.2341468907       -2.5488798520       -2.8616708970
H             0.2303377016       -3.0955859190       -1.4258629110
O             3.1404890260        2.3262903420        0.1543769413
H             2.4031977830        2.9402238230        0.3164857143
H             2.8380068350        1.7501983990       -0.5758035960
O             0.5775976975        0.6761969954        2.5174386510
H             1.5470017820        0.6553900751        2.5665798480
H             0.3648641358        0.4056619882        1.5975289950
O            -3.0354195090       -0.7563056104       -2.2222495780
H            -2.7281460260        0.1098254572       -1.9053685970
H            -2.3011658970       -1.1086519660       -2.7562305800
    63
 Energy=    -106.839036437230
O             0.2946718883        0.8904426247       -3.6662578950
H             0.9891473060        0.7868062426       -2.9739676240
H            -0.3236344827        1.5424767980       -3.3238916750
O            -0.6177152508        3.0619983010        2.3240592060
H            -1.4779058670        2.7849013520        1.9618002190
H            -0.1699049048        2.2242185040        2.5687582000
O            -0.0312182803        3.3449365640       -1.8880084200
H             0.7600741399        3.1413618930       -2.3984123720
H             0.2920640722        3.6196471320       -1.0035254940
O             0.9642328905        4.0032640030        0.5196633193
H             0.3341675574        3.6428843730        1.2181825130
H             1.1104759760        4.9204089900        0.7506039332
O            -3.2055011570       -0.3951219041        2.0996012770
H            -2.4808574700       -0.7194774347        2.6788033580
H            -3.2702896300       -1.0309465260        1.3689067200
O            -1.8500034990        1.4825755230       -1.1506246260
H            -1.2913643270        2.2296791810       -1.4369338570
H            -2.3120847710        1.7783481790       -0.3406007469
O            -1.0718984890       -1.2576040360        3.4949059510
H            -0.4871562823       -0.4918452851        3.3520837000
H            -0.5693226374       -2.0128602530        3.1577198690
O             0.6492660516       -3.1234372570        2.2870316910
H             1.4633881710       -2.6513811600        1.9651830420
H             0.9491741775       -3.9671549830        2.6244353150
O            -0.6700863021       -2.6270531120        0.0037876087
H            -1.6405285280       -2.6008730400        0.0819962926
H            -0.3041302831       -2.9081635460        0.8644253933
O             2.9408056830       -1.9040960040       -1.4572486850
H             2.1208141760       -2.3801130170       -1.7731918220
H             3.6854298630       -2.3957620210       -1.8031700720
O             1.9730257710        0.6183631498       -1.6132038430
H             2.4952630120       -0.2009303760       -1.6674102910
H             1.2579331390        0.3948780791       -0.9648041475
O            -0.8546026764       -1.4724363310       -3.7671703230
H            -1.0156510910       -1.6843836970       -4.6868435160
H            -0.4114628763       -0.5828119099       -3.7577288320
O            -3.3285690030       -2.1677008110       -0.0442506160
H            -3.2620493820       -1.6226406790       -0.8775442890
H            -4.0932800580       -2.7328243590       -0.1502946286
O             3.2777605590        0.6360553313        2.1429954840
H             4.0248313700        0.8683905395        2.6932360920
H             3.2688093330        1.2873656250        1.3866957720
O            -2.9321699220        2.0357009880        1.2465529350
H            -3.7762172100        2.4474746260        1.4307397550
H            -3.0042956990        1.0989375520        1.6020408190
O             2.8089603650       -1.9711148680        1.3218167440
H             2.9814574480       -1.0662712050        1.6316987070
H             2.8315718900       -1.9329864350        0.3496115161
O             0.0072391278       -0.0488711380        0.0034937488
H            -0.7381558313        0.4473546762       -0.4001805201
H            -0.2253502125       -1.0038711140       -0.0382412188
O             0.7590222180       -3.1049402220       -2.2447589310
H             0.2336675394       -2.5696701640       -2.8650566990
H             0.2378314367       -3.0968936710       -1.4218601670
O             3.1261873580        2.3306093960        0.1557402618
H             2.4007666060        2.9568291700        0.3323119097
H             2.8096924320        1.7642904230       -0.5748350084
O             0.5775165710        0.6782717529        2.5276330090
H             1.5471201210        0.6584978057        2.5732153020
H             0.3615545050        0.4070708278        1.6089989930
O            -3.0223676350       -0.7479934251       -2.2217057580
H            -2.7006922430        0.1158586875       -1.9138157110
H            -2.2989456520       -1.1169107050       -2.7596813880
    63
 Energy=    -106.839431154010
O             0.2139708452        0.8099458757       -3.7311944270
H             0.8870524722        0.7744253445       -3.0150813100
H            -0.4406696241        1.4581730040       -3.4576993360
O            -0.6355206394        3.0650068040        2.3600573830
H            -1.4766348760        2.7873103030        1.9552812400
H            -0.1815359596        2.2282728860        2.5943079590
O             0.1278134106        3.2475480950       -1.8173309400
H             0.9199601813        2.7957733580       -2.1185972510
H             0.3630282292        3.6569852460       -0.9599872823
O             0.9855819592        4.0587580990        0.6121196231
H             0.3589435925        3.6810082680        1.3033247490
H             1.1316721660        4.9733240770        0.8519718372
O            -3.1902487410       -0.3807824753        2.0784101550
H            -2.4732856340       -0.7090093731        2.6642902950
H            -3.2610653890       -1.0250720620        1.3554474960
O            -1.7997250770        1.4964179800       -1.1823964790
H            -1.1823188600        2.2175054900       -1.4274993380
H            -2.2828066730        1.7979025080       -0.3886877832
O            -1.0750604940       -1.2616264100        3.4959903820
H            -0.4900362834       -0.4933802345        3.3690539150
H            -0.5674886785       -2.0126713160        3.1563715370
O             0.6573640927       -3.1170668150        2.2802733500
H             1.4645331400       -2.6411296560        1.9477009750
H             0.9657920654       -3.9590088080        2.6142274680
O            -0.6705298435       -2.6308251090        0.0005245907
H            -1.6413782050       -2.6081041460        0.0769209339
H            -0.3048862115       -2.9101865050        0.8622024436
O             2.9166970160       -1.8080516170       -1.4864722380
H             2.1132608700       -2.3173793670       -1.7925670200
H             3.6781551540       -2.2842804040       -1.8175529890
O             1.8877379470        0.6893088606       -1.6397529610
H             2.4316913410       -0.1157789189       -1.7083799430
H             1.1942300130        0.4366783683       -0.9767946128
O            -0.8938395837       -1.5637799740       -3.8001323200
H            -1.0596045150       -1.8009970230       -4.7130664230
H            -0.4531907481       -0.6723962663       -3.8168209150
O            -3.3273961800       -2.1592847050       -0.0522208836
H            -3.2534291330       -1.6071121120       -0.8804927969
H            -4.0973449910       -2.7151525880       -0.1675121384
O             3.2752473130        0.6442188743        2.1454476730
H             4.0296521470        0.8767955269        2.6850110510
H             3.2590827120        1.2917290620        1.3872239990
O            -2.9100607640        2.0421212410        1.1997194890
H            -3.7493334360        2.4608209710        1.3884375290
H            -2.9819402050        1.1097523470        1.5655610320
O             2.7983877340       -1.9469770540        1.2900122480
H             2.9786608480       -1.0501706070        1.6188350280
H             2.8092543170       -1.8839368440        0.3186803297
O            -0.0056783663       -0.0499462632        0.0261568542
H            -0.7539178849        0.4441897584       -0.3775224864
H            -0.2290925958       -1.0066327510       -0.0229882557
O             0.7778253143       -3.1102717690       -2.2352464990
H             0.2316262492       -2.6150452310       -2.8699777520
H             0.2577866383       -3.0996440900       -1.4114537790
O             3.1027242300        2.3409818150        0.1592219166
H             2.3999151270        2.9831935580        0.3718418858
H             2.7506676810        1.7966850350       -0.5715273985
O             0.5770712685        0.6868767428        2.5454249070
H             1.5466175430        0.6648857481        2.5882964060
H             0.3578883625        0.4096580228        1.6294842250
O            -3.0061713490       -0.7392895956       -2.2241841090
H            -2.6587928660        0.1176757448       -1.9264490310
H            -2.3003970700       -1.1381813200       -2.7647327270
    63
 Energy=    -106.839522938110
O             0.1970750502        0.7967474126       -3.7462831560
H             0.8677474523        0.7685640992       -3.0276167690
H            -0.4533077418        1.4501062450       -3.4767740380
O            -0.6356743399        3.0663908870        2.3661445460
H            -1.4742203610        2.7884656570        1.9568461360
H            -0.1866736651        2.2268721260        2.6017486150
O             0.1514275370        3.2222145470       -1.8001635900
H             0.9454285387        2.7430141060       -2.0614657200
H             0.3856706293        3.6565227810       -0.9573483287
O             0.9893227960        4.0688257950        0.6233299608
H             0.3592673526        3.6907277960        1.3113847240
H             1.1347060760        4.9804336990        0.8711645843
O            -3.1874239530       -0.3783519937        2.0753344680
H            -2.4713645890       -0.7070498877        2.6619135760
H            -3.2596483640       -1.0227301640        1.3528695630
O            -1.7945262080        1.4984067330       -1.1908527210
H            -1.1662061670        2.2181061680       -1.4262329940
H            -2.2738733330        1.8028627160       -0.3975987921
O            -1.0751563640       -1.2620814090        3.4960508390
H            -0.4906479145       -0.4936124321        3.3712946700
H            -0.5672160455       -2.0124038680        3.1559456300
O             0.6589904209       -3.1157277660        2.2791075500
H             1.4649666500       -2.6389359880        1.9450036200
H             0.9688114560       -3.9574084110        2.6125382240
O            -0.6705784101       -2.6320700920        0.0000369356
H            -1.6412815290       -2.6085154700        0.0759992124
H            -0.3053129562       -2.9107316310        0.8615257985
O             2.9119540010       -1.7919823540       -1.4915710390
H             2.1120574400       -2.3084283370       -1.7957239990
H             3.6759232770       -2.2640965840       -1.8213408100
O             1.8716663410        0.7030511010       -1.6432450890
H             2.4206795060       -0.0971318020       -1.7168384410
H             1.1821858160        0.4425338317       -0.9770346984
O            -0.8979617551       -1.5830500400       -3.8052188120
H            -1.0680202430       -1.8204942260       -4.7168102050
H            -0.4594165779       -0.6912495923       -3.8244389590
O            -3.3274169740       -2.1585166110       -0.0536314757
H            -3.2522416650       -1.6056115350       -0.8811672521
H            -4.0984919500       -2.7128943820       -0.1692965319
O             3.2756339620        0.6456327198        2.1458929770
H             4.0309666320        0.8784184312        2.6841023470
H             3.2574122520        1.2920731360        1.3868385810
O            -2.9064566010        2.0440018720        1.1927602630
H            -3.7459435530        2.4622966130        1.3818565030
H            -2.9795755330        1.1119743000        1.5584787200
O             2.7966752010       -1.9425411080        1.2847767450
H             2.9774451770       -1.0474383470        1.6170293920
H             2.8051489410       -1.8755920110        0.3137971182
O            -0.0063862290       -0.0503975188        0.0307105139
H            -0.7551747355        0.4426033579       -0.3730898572
H            -0.2285535752       -1.0076169410       -0.0208427847
O             0.7810798343       -3.1091833990       -2.2349406850
H             0.2297518639       -2.6213549940       -2.8706213460
H             0.2611122853       -3.0993187100       -1.4108654770
O             3.0976490070        2.3445548220        0.1618200836
H             2.3988139260        2.9881007330        0.3764576244
H             2.7437510530        1.8016091860       -0.5683526056
O             0.5766071437        0.6866713259        2.5482369390
H             1.5460449600        0.6665443242        2.5909033950
H             0.3572627785        0.4105389215        1.6322348850
O            -3.0039275240       -0.7389298122       -2.2244506290
H            -2.6523334810        0.1177295446       -1.9298789540
H            -2.3017119180       -1.1403899670       -2.7669294970
    63
 Energy=    -106.839560007890
O             0.1910950208        0.7926359301       -3.7512569890
H             0.8615653445        0.7655332758       -3.0328815700
H            -0.4568312438        1.4487317970       -3.4828552690
O            -0.6352356667        3.0667373190        2.3681115430
H            -1.4733395700        2.7890996020        1.9576953880
H            -0.1885671796        2.2264653370        2.6045637430
O             0.1612820552        3.2133342500       -1.7939082950
H             0.9534720199        2.7250789800       -2.0438727920
H             0.3927800574        3.6557696760       -0.9539688296
O             0.9903879226        4.0720195170        0.6266854520
H             0.3587822873        3.6940013410        1.3127475040
H             1.1359742030        4.9832839260        0.8779334543
O            -3.1864747190       -0.3774062351        2.0743018250
H            -2.4706159700       -0.7064291824        2.6611790380
H            -3.2592092460       -1.0217838480        1.3520150930
O            -1.7924145100        1.4992472460       -1.1938253800
H            -1.1617327410        2.2174886240       -1.4262524660
H            -2.2710200260        1.8047136910       -0.4003387975
O            -1.0752423650       -1.2623068510        3.4961083070
H            -0.4907398362       -0.4935879446        3.3718741170
H            -0.5670941001       -2.0122776080        3.1557567420
O             0.6595259057       -3.1151767000        2.2786540000
H             1.4651550560       -2.6381176980        1.9441715450
H             0.9698770007       -3.9568790570        2.6119971160
O            -0.6704779862       -2.6323763970       -0.0002217609
H            -1.6413285920       -2.6085331020        0.0756762213
H            -0.3054523948       -2.9110561510        0.8614167036
O             2.9101338800       -1.7864634640       -1.4932967340
H             2.1115668000       -2.3055378690       -1.7967706370
H             3.6752047810       -2.2572098290       -1.8228677460
O             1.8659173820        0.7079179939       -1.6441744840
H             2.4169666230       -0.0903923842       -1.7198665750
H             1.1781677080        0.4443585778       -0.9770257873
O            -0.8992330523       -1.5901751020       -3.8067612970
H            -1.0709910560       -1.8270994500       -4.7179647320
H            -0.4614765149       -0.6978076096       -3.8266274040
O            -3.3273459230       -2.1584068890       -0.0540423666
H            -3.2519366980       -1.6053072200       -0.8814773526
H            -4.0989942250       -2.7122887930       -0.1696974579
O             3.2757634270        0.6460360945        2.1457826290
H             4.0316442460        0.8790549261        2.6839994810
H             3.2568807960        1.2922233150        1.3868910440
O            -2.9049702210        2.0446548440        1.1907909480
H            -3.7451972460        2.4628067620        1.3797328780
H            -2.9789624110        1.1128043290        1.5559326950
O             2.7961084130       -1.9411481070        1.2830629260
H             2.9769083020       -1.0464473490        1.6165246740
H             2.8037271830       -1.8727523010        0.3121357753
O            -0.0064801950       -0.0506296540        0.0319432640
H            -0.7555430345        0.4419489360       -0.3717583603
H            -0.2283408223       -1.0079592310       -0.0201366909
O             0.7821713448       -3.1085733710       -2.2348301890
H             0.2289562944       -2.6232599640       -2.8710302070
H             0.2622417901       -3.0991763030       -1.4108345880
O             3.0961163980        2.3460939160        0.1632659223
H             2.3981008720        2.9900082380        0.3778089577
H             2.7416847660        1.8029105050       -0.5672672220
O             0.5764134125        0.6863318103        2.5494226900
H             1.5457817920        0.6671908693        2.5917916610
H             0.3569987865        0.4108854189        1.6331090210
O            -3.0030681310       -0.7390399714       -2.2246612920
H            -2.6502081770        0.1179882755       -1.9312426540
H            -2.3023169140       -1.1409920860       -2.7678569520
    63
 Energy=    -106.839664288190
O             0.1657079482        0.7745155998       -3.7645580990
H             0.8523755337        0.7553958193       -3.0632717710
H            -0.4584044391        1.4562777590       -3.5031483810
O            -0.6349637978        3.0689141650        2.3731411470
H            -1.4751245120        2.7944811890        1.9643471720
H            -0.1877196193        2.2300892170        2.6128894380
O             0.2049690320        3.1889318350       -1.7793583700
H             0.9802775514        2.6553236900       -1.9818490860
H             0.4208357269        3.6328842550       -0.9363934252
O             0.9920977513        4.0883850550        0.6388628892
H             0.3572123068        3.7010109700        1.3152161830
H             1.1421608070        4.9956979190        0.9046011539
O            -3.1815816060       -0.3721028545        2.0690365150
H            -2.4684964030       -0.7036205545        2.6576976240
H            -3.2576859790       -1.0186956680        1.3490867130
O            -1.7879161220        1.4956403480       -1.1934229630
H            -1.1489611200        2.2025671690       -1.4345151280
H            -2.2693367810        1.8127624540       -0.4050844531
O            -1.0758229500       -1.2632856610        3.4954119100
H            -0.4911635492       -0.4946827224        3.3720873500
H            -0.5670563316       -2.0126416840        3.1547718760
O             0.6613328846       -3.1131189900        2.2768222480
H             1.4656639780       -2.6341326940        1.9417009320
H             0.9742177520       -3.9537465280        2.6105523270
O            -0.6697370195       -2.6311040930       -0.0002065881
H            -1.6405226880       -2.6078247580        0.0740690182
H            -0.3056856985       -2.9132997420        0.8607357316
O             2.9027883210       -1.7639606290       -1.5009986190
H             2.1077345270       -2.2900124810       -1.8013352900
H             3.6711144810       -2.2281968560       -1.8324050270
O             1.8514699310        0.7251199918       -1.6487264000
H             2.4061361500       -0.0697641664       -1.7299248190
H             1.1670878790        0.4517081994       -0.9816327975
O            -0.9090796475       -1.6121769600       -3.8102658290
H            -1.0824592620       -1.8527574190       -4.7201964460
H            -0.4741669525       -0.7193816120       -3.8334185030
O            -3.3275343740       -2.1589063890       -0.0547992852
H            -3.2528986460       -1.6079515380       -0.8832909498
H            -4.1004220380       -2.7119599410       -0.1668851734
O             3.2775986310        0.6466283917        2.1474642570
H             4.0339707020        0.8810767921        2.6842113060
H             3.2554565270        1.2974501090        1.3925823780
O            -2.9018628240        2.0503041470        1.1885938570
H            -3.7444276510        2.4657181070        1.3713839040
H            -2.9741374460        1.1169774910        1.5510870880
O             2.7934865070       -1.9358638420        1.2772316250
H             2.9745009290       -1.0429729920        1.6150197520
H             2.7981024750       -1.8617429250        0.3069565460
O            -0.0095699626       -0.0515715299        0.0316010051
H            -0.7614259141        0.4374809937       -0.3714382472
H            -0.2282577555       -1.0097673400       -0.0181141228
O             0.7857957592       -3.1072150520       -2.2348667510
H             0.2285822497       -2.6302833000       -2.8741973930
H             0.2656250020       -3.0981313500       -1.4110753450
O             3.0901965830        2.3512996950        0.1710719725
H             2.3943243330        2.9991990080        0.3826025520
H             2.7390819400        1.8088081980       -0.5601663966
O             0.5761753537        0.6854569718        2.5546737480
H             1.5455808750        0.6682708209        2.5963433780
H             0.3556203974        0.4111144776        1.6385969100
O            -3.0025813150       -0.7392768286       -2.2292897220
H            -2.6474396220        0.1174846641       -1.9394212540
H            -2.3043276960       -1.1460688010       -2.7726843870
    63
 Energy=    -106.839728753090
O             0.1693634689        0.7777259105       -3.7666825760
H             0.8630813740        0.7506113343       -3.0729871880
H            -0.4356773723        1.4771582630       -3.5057402320
O            -0.6346906737        3.0742553720        2.3740491610
H            -1.4762066410        2.7954286580        1.9710059010
H            -0.1832807856        2.2360473630        2.6067440190
O             0.2080036903        3.1702132930       -1.7786373380
H             0.9754704564        2.6206477400       -1.9719464460
H             0.4243689902        3.6171894260       -0.9377322026
O             0.9949567774        4.0882983580        0.6425444843
H             0.3560634693        3.7034586850        1.3172498110
H             1.1433141640        4.9953325100        0.9084325897
O            -3.1802752640       -0.3699874765        2.0673354000
H            -2.4677510010       -0.7022401081        2.6561913310
H            -3.2561116670       -1.0164502770        1.3472842810
O            -1.7948641790        1.4954610550       -1.1938957670
H            -1.1515177170        2.1980078960       -1.4354833430
H            -2.2695846470        1.8141484170       -0.4025390995
O            -1.0764325590       -1.2644077010        3.4935414550
H            -0.4913257694       -0.4957547670        3.3708738530
H            -0.5681371411       -2.0142045590        3.1537902570
O             0.6616236173       -3.1125171120        2.2776904280
H             1.4647086270       -2.6327160930        1.9409291020
H             0.9761140778       -3.9522976020        2.6114055190
O            -0.6690560123       -2.6332056980       -0.0012297242
H            -1.6397078290       -2.6066391840        0.0738126861
H            -0.3052025309       -2.9135833300        0.8603038139
O             2.9001902010       -1.7559456780       -1.5042322760
H             2.1044113760       -2.2818188760       -1.8035364090
H             3.6677881140       -2.2173946040       -1.8412248570
O             1.8570515150        0.7258426879       -1.6527652540
H             2.4113864100       -0.0707311684       -1.7294974350
H             1.1692404010        0.4534307829       -0.9894380147
O            -0.9150924817       -1.6157704130       -3.8082077060
H            -1.0871528030       -1.8599131430       -4.7177991510
H            -0.4923723181       -0.7181609848       -3.8315157290
O            -3.3266013360       -2.1605258420       -0.0559890360
H            -3.2570071940       -1.6116656790       -0.8865154334
H            -4.0998576620       -2.7137354690       -0.1614159906
O             3.2782110880        0.6486267892        2.1534523560
H             4.0361569730        0.8786050008        2.6895414220
H             3.2540915550        1.3023140510        1.4008471180
O            -2.9018075120        2.0573134340        1.1938956130
H            -3.7489256970        2.4660086020        1.3712818590
H            -2.9726982790        1.1240465190        1.5550664470
O             2.7924336160       -1.9336811450        1.2757080820
H             2.9745529500       -1.0416926000        1.6153788280
H             2.7960247410       -1.8577086470        0.3056036581
O            -0.0080808674       -0.0510432405        0.0270656187
H            -0.7633479939        0.4338447632       -0.3742557710
H            -0.2266540401       -1.0090553130       -0.0191885310
O             0.7882290424       -3.1051214690       -2.2342872820
H             0.2302162590       -2.6330425630       -2.8761690390
H             0.2654597637       -3.0971822040       -1.4120988390
O             3.0899186450        2.3546430330        0.1775475464
H             2.3936706910        3.0044089340        0.3840684031
H             2.7416175760        1.8134858480       -0.5553037582
O             0.5763542244        0.6871506950        2.5544165070
H             1.5456277000        0.6653459530        2.5971991850
H             0.3560470658        0.4106391525        1.6391838140
O            -3.0077169880       -0.7441755485       -2.2317883150
H            -2.6530697180        0.1140394529       -1.9439475570
H            -2.3090308370       -1.1506038840       -2.7738807690
    63
 Energy=    -106.839878452550
O             0.2033844137        0.7844927328       -3.7779771300
H             0.8993143083        0.7352979689       -3.0889746410
H            -0.3585645416        1.5235567560       -3.5299579360
O            -0.6233203441        3.0787223300        2.3834149480
H            -1.4717365160        2.8165709520        1.9838392440
H            -0.1865848013        2.2307293760        2.6093697470
O             0.2013961991        3.1247181490       -1.7933094700
H             0.9602257483        2.5490785230       -1.9424980730
H             0.4122568309        3.6029830110       -0.9692917674
O             0.9849783698        4.0792146660        0.6196322284
H             0.3568973172        3.7034785490        1.3090987560
H             1.1508354850        4.9849032660        0.8789267989
O            -3.1784411270       -0.3637958000        2.0632547700
H            -2.4676401840       -0.6999850633        2.6515902410
H            -3.2496530020       -1.0039835640        1.3369282220
O            -1.8305064580        1.4768844600       -1.1731808130
H            -1.1903491200        2.1749794560       -1.4300441220
H            -2.2963997230        1.8029751980       -0.3794451355
O            -1.0761374580       -1.2648995050        3.4920978000
H            -0.4921968522       -0.4967521778        3.3637241890
H            -0.5695766958       -2.0149876400        3.1498009720
O             0.6626879574       -3.1141180220        2.2772517500
H             1.4639429400       -2.6306963530        1.9427910570
H             0.9805324271       -3.9499327560        2.6179353880
O            -0.6655128792       -2.6316413480       -0.0036830069
H            -1.6362952210       -2.6063818770        0.0690171575
H            -0.3052744806       -2.9152111330        0.8579017817
O             2.9039414730       -1.7590577280       -1.5066980500
H             2.1051761980       -2.2814264570       -1.8036371950
H             3.6667946160       -2.2045431170       -1.8748411760
O             1.8833862650        0.7265490919       -1.6485568570
H             2.4397485660       -0.0697645052       -1.7205335100
H             1.1890284960        0.4498422598       -0.9929633915
O            -0.9272695309       -1.5892621240       -3.7968032830
H            -1.0941990730       -1.8413984680       -4.7051517780
H            -0.4987907062       -0.6953533354       -3.8270071940
O            -3.3241808840       -2.1645386240       -0.0501444732
H            -3.2672229210       -1.6203229030       -0.8850619550
H            -4.0962045410       -2.7219724230       -0.1441523113
O             3.2780831930        0.6503172087        2.1740734440
H             4.0389968730        0.8726150284        2.7092327440
H             3.2567768890        1.3064780080        1.4237458860
O            -2.9096136940        2.0714630300        1.2127461930
H            -3.7619373520        2.4732215570        1.3805170040
H            -2.9791335680        1.1361585680        1.5695453870
O             2.7897474910       -1.9231391960        1.2758798350
H             2.9764271470       -1.0318798940        1.6155359430
H             2.7966514140       -1.8497421910        0.3060232632
O             0.0007917187       -0.0475927342        0.0071775545
H            -0.7621228040        0.4342532516       -0.3836055008
H            -0.2158142034       -1.0064831830       -0.0351328864
O             0.7850574728       -3.0980792870       -2.2419784760
H             0.2236406200       -2.6172084060       -2.8750570110
H             0.2700287125       -3.0929992270       -1.4153008300
O             3.0995150420        2.3588470980        0.1989631952
H             2.3967506150        3.0043836620        0.3973391362
H             2.7632674260        1.8190720790       -0.5397082225
O             0.5690073898        0.6842422548        2.5372428640
H             1.5372800010        0.6640965749        2.5946653490
H             0.3628470432        0.4171367367        1.6156067760
O            -3.0448813740       -0.7578454614       -2.2337920750
H            -2.6921893390        0.1000463695       -1.9418117510
H            -2.3411361610       -1.1615560650       -2.7710601200
    63
 Energy=    -106.839941461120
O             0.2349566449        0.7871756363       -3.7885661410
H             0.9237005819        0.7315776000       -3.0928522860
H            -0.3075381577        1.5443626340       -3.5531961130
O            -0.6196397194        3.0829517360        2.3848830410
H            -1.4725904220        2.8260458270        1.9939779440
H            -0.1831030282        2.2336616930        2.6069553260
O             0.1901498149        3.0957858850       -1.8005830100
H             0.9501797474        2.5143419870       -1.9230792300
H             0.3913137121        3.5874288410       -0.9830994788
O             0.9823065031        4.0724445820        0.6024083895
H             0.3565536423        3.6986755240        1.2939981740
H             1.1518857620        4.9792973940        0.8578545212
O            -3.1784940550       -0.3620676551        2.0621514030
H            -2.4667153610       -0.6968151941        2.6503129860
H            -3.2467825260       -1.0014517080        1.3348646310
O            -1.8492224220        1.4620373040       -1.1624419700
H            -1.2158736830        2.1619656810       -1.4303419680
H            -2.3075593270        1.7907864060       -0.3636162943
O            -1.0765189400       -1.2638622940        3.4891669470
H            -0.4944550474       -0.4953336908        3.3530726950
H            -0.5707979620       -2.0162509800        3.1486741980
O             0.6634998678       -3.1143771200        2.2783647300
H             1.4633842020       -2.6297560790        1.9425840160
H             0.9843642876       -3.9477653770        2.6212482640
O            -0.6626011463       -2.6312287270       -0.0074359958
H            -1.6336928580       -2.6018886850        0.0665672973
H            -0.3009647956       -2.9114144660        0.8547268701
O             2.9109823630       -1.7630618900       -1.5143229110
H             2.1097313170       -2.2846333220       -1.8072030270
H             3.6699285250       -2.2067037970       -1.8906613350
O             1.8990196680        0.7279486410       -1.6438457550
H             2.4552643040       -0.0683964068       -1.7167426170
H             1.2008700080        0.4515717580       -0.9929742464
O            -0.9306286561       -1.5733740810       -3.7891248280
H            -1.0992980400       -1.8212899630       -4.6977813250
H            -0.4987341334       -0.6806844809       -3.8158976410
O            -3.3225846270       -2.1703932390       -0.0457766510
H            -3.2755989970       -1.6247682670       -0.8810337680
H            -4.0936111020       -2.7286606890       -0.1293362169
O             3.2774115850        0.6506895453        2.1854582110
H             4.0381899890        0.8696087702        2.7230338360
H             3.2625547070        1.3078332460        1.4364554110
O            -2.9169869250        2.0821488960        1.2258651690
H            -3.7706613530        2.4806325660        1.3910205440
H            -2.9794061040        1.1453630660        1.5796883170
O             2.7891190490       -1.9188667760        1.2780070000
H             2.9727897450       -1.0272910380        1.6182566390
H             2.8021689120       -1.8484404150        0.3081282114
O             0.0038487276       -0.0486764436       -0.0037727702
H            -0.7621843376        0.4320666241       -0.3927717725
H            -0.2118438366       -1.0073829770       -0.0428908937
O             0.7812511754       -3.0866717380       -2.2465735930
H             0.2172691935       -2.5998611030       -2.8723724750
H             0.2673291339       -3.0925024580       -1.4189431590
O             3.1034770200        2.3609789530        0.2123579551
H             2.3939719700        3.0022209830        0.4003438913
H             2.7793319760        1.8170637870       -0.5303957705
O             0.5662981104        0.6850964523        2.5262716280
H             1.5339572790        0.6619775020        2.5913213210
H             0.3605043340        0.4134354943        1.6057664930
O            -3.0649271740       -0.7628519404       -2.2323659240
H            -2.7202373520        0.0958904894       -1.9353033550
H            -2.3578006690       -1.1555849020       -2.7749740550
    63
 Energy=    -106.840021946640
O             0.2785798666        0.7813639436       -3.8041059000
H             0.9577372053        0.7356200995       -3.0982492130
H            -0.2567429838        1.5521055310       -3.5985897170
O            -0.6150413787        3.0897068980        2.3754182160
H            -1.4739895690        2.8301392910        1.9974551860
H            -0.1755679565        2.2416180450        2.5948170900
O             0.1736474007        3.0658665950       -1.7971908160
H             0.9367874509        2.4838660950       -1.8979793220
H             0.3619990563        3.5716177120       -0.9847703330
O             0.9715578624        4.0682608740        0.5847580901
H             0.3470165433        3.6987705510        1.2811407340
H             1.1449252740        4.9745314090        0.8377393753
O            -3.1794918030       -0.3574875513        2.0646316900
H            -2.4677750600       -0.6918233833        2.6534012760
H            -3.2497815800       -0.9986831592        1.3390219670
O            -1.8679515650        1.4486326510       -1.1528703160
H            -1.2288883520        2.1372860390       -1.4370632890
H            -2.3101443720        1.7889458860       -0.3509182709
O            -1.0758158550       -1.2602055190        3.4846079620
H            -0.4931587481       -0.4933624422        3.3412537560
H            -0.5722464388       -2.0150579600        3.1490167510
O             0.6651773591       -3.1114071490        2.2771147700
H             1.4652876730       -2.6276047400        1.9413199310
H             0.9853139139       -3.9450063480        2.6214681840
O            -0.6606696538       -2.6311335730       -0.0054090949
H            -1.6319513740       -2.5997818970        0.0704399616
H            -0.2992856644       -2.9109848080        0.8566741587
O             2.9228998200       -1.7667009420       -1.5187224500
H             2.1153438370       -2.2747913890       -1.8167114880
H             3.6761940510       -2.2215714560       -1.8928175540
O             1.9065151090        0.7234152225       -1.6351816770
H             2.4614448770       -0.0735347996       -1.7134823450
H             1.2057503950        0.4434400739       -0.9873266672
O            -0.9425890361       -1.5464723020       -3.7800517920
H            -1.1055377670       -1.7944377540       -4.6912185320
H            -0.4854191772       -0.6668791816       -3.8078951120
O            -3.3210467260       -2.1709947770       -0.0399706207
H            -3.2814346530       -1.6342776750       -0.8812004355
H            -4.0889096310       -2.7373679340       -0.1135682372
O             3.2760660080        0.6467060260        2.1921032060
H             4.0280783360        0.8669745649        2.7407026720
H             3.2631789540        1.3097554160        1.4479058570
O            -2.9189017440        2.0884965410        1.2423701850
H            -3.7732152620        2.4872823600        1.4087957280
H            -2.9859083840        1.1488518790        1.5876764470
O             2.7910093580       -1.9193044260        1.2740428040
H             2.9720003660       -1.0283886910        1.6176877980
H             2.8127548110       -1.8475718510        0.3049111717
O             0.0059793523       -0.0527050840       -0.0104229614
H            -0.7639500975        0.4224848777       -0.3977796820
H            -0.2049850841       -1.0130802950       -0.0496990109
O             0.7795993237       -3.0719405830       -2.2559700030
H             0.2131998028       -2.5777943600       -2.8738538170
H             0.2698817298       -3.0851670980       -1.4258866670
O             3.1074031740        2.3600320620        0.2200860156
H             2.3930771970        2.9995624820        0.3965887122
H             2.7936424720        1.8124145930       -0.5228228183
O             0.5636122943        0.6850196073        2.5194145750
H             1.5316161840        0.6599320585        2.5816627010
H             0.3547217259        0.4129758226        1.5996779170
O            -3.0855152650       -0.7595426553       -2.2270548980
H            -2.7466934030        0.0989353362       -1.9204801990
H            -2.3728790960       -1.1387911580       -2.7711321660
    63
 Energy=    -106.840076287780
O             0.3206727449        0.7806218975       -3.8311188980
H             0.9874003852        0.7277824066       -3.1143195760
H            -0.2042145765        1.5622148920       -3.6398400090
O            -0.6170184283        3.0912276230        2.3704158720
H            -1.4748541960        2.8285365410        1.9926736580
H            -0.1764543195        2.2436967700        2.5903514200
O             0.1696648532        3.0480950470       -1.7960713140
H             0.9257251391        2.4546546810       -1.8806933980
H             0.3547270407        3.5583471850       -0.9856647633
O             0.9664177926        4.0741158020        0.5772772682
H             0.3455918013        3.7051735400        1.2769307250
H             1.1329633640        4.9834938290        0.8233414585
O            -3.1876124940       -0.3567258038        2.0715483700
H            -2.4746361120       -0.6916310411        2.6583519610
H            -3.2548018640       -0.9951624093        1.3432332320
O            -1.8718720980        1.4386507370       -1.1435083210
H            -1.2306699400        2.1228285400       -1.4338966930
H            -2.3142576880        1.7874138860       -0.3458493677
O            -1.0752598040       -1.2546914820        3.4822476950
H            -0.4904484853       -0.4883996192        3.3427050390
H            -0.5705131249       -2.0092105500        3.1482819430
O             0.6700680231       -3.1072779900        2.2791953440
H             1.4705342180       -2.6277065780        1.9380814850
H             0.9872698753       -3.9438147880        2.6183468920
O            -0.6588530532       -2.6427372360       -0.0064844152
H            -1.6296820650       -2.6028443060        0.0693248072
H            -0.2979979242       -2.9169290830        0.8582517502
O             2.9301624990       -1.7677698700       -1.5186776030
H             2.1199422510       -2.2679650060       -1.8231088660
H             3.6833383180       -2.2340746690       -1.8807771240
O             1.9084879790        0.7175038720       -1.6293192160
H             2.4674270430       -0.0764860161       -1.7064096130
H             1.2030708180        0.4315500846       -0.9887836841
O            -0.9467789854       -1.5244076320       -3.7751435770
H            -1.1202564750       -1.7794777980       -4.6813561830
H            -0.4767046708       -0.6523703928       -3.8152201520
O            -3.3172262340       -2.1711677430       -0.0335704940
H            -3.2865384440       -1.6290839150       -0.8719275105
H            -4.0817953790       -2.7418489580       -0.1077730090
O             3.2707620980        0.6431702038        2.1915495970
H             4.0101521570        0.8709960739        2.7540060350
H             3.2607290780        1.3080619600        1.4490952920
O            -2.9201651360        2.0886429990        1.2472544940
H            -3.7679717430        2.4937884010        1.4284609610
H            -2.9877125870        1.1508173950        1.5974214560
O             2.7981876380       -1.9248697430        1.2650774660
H             2.9817728580       -1.0352223610        1.6092269170
H             2.8154327390       -1.8504184550        0.2955925308
O             0.0005125668       -0.0650211045       -0.0091175751
H            -0.7738208811        0.4095620450       -0.3881110525
H            -0.2117572000       -1.0250695800       -0.0437267198
O             0.7800859564       -3.0510160170       -2.2626220830
H             0.2098794183       -2.5586095050       -2.8784380650
H             0.2720181571       -3.0701039810       -1.4319449510
O             3.1028653120        2.3605789840        0.2227295360
H             2.3902603070        3.0031388100        0.3942132692
H             2.7894807910        1.8111831850       -0.5192406046
O             0.5605431708        0.6885289851        2.5132528690
H             1.5281504100        0.6604035727        2.5770634610
H             0.3543877131        0.4169618225        1.5925642060
O            -3.1017214910       -0.7579636895       -2.2214196390
H            -2.7663244640        0.0988979937       -1.9064670570
H            -2.3842535510       -1.1298048430       -2.7639559900
    63
 Energy=    -106.840080549480
O             0.3265573440        0.7806232655       -3.8344326060
H             0.9911372143        0.7267072538       -3.1153155630
H            -0.1989621577        1.5625913400       -3.6442102430
O            -0.6179121850        3.0914027370        2.3693428800
H            -1.4751212080        2.8274506820        1.9908333090
H            -0.1769610680        2.2436798360        2.5900409250
O             0.1686457282        3.0494274240       -1.7969873270
H             0.9244276503        2.4552828370       -1.8824780380
H             0.3540403721        3.5590612170       -0.9860032772
O             0.9665420592        4.0748383400        0.5770073180
H             0.3463089049        3.7059145910        1.2769822600
H             1.1301419140        4.9853532720        0.8209825832
O            -3.1886861550       -0.3574872999        2.0730041570
H            -2.4759870260       -0.6916755031        2.6598618720
H            -3.2562443390       -0.9955710737        1.3446259800
O            -1.8712300930        1.4378506540       -1.1430702230
H            -1.2302865870        2.1226301900       -1.4327415980
H            -2.3147939630        1.7857856410       -0.3455962961
O            -1.0752588040       -1.2539326150        3.4828006550
H            -0.4907130851       -0.4867893711        3.3429343490
H            -0.5698229525       -2.0081689090        3.1482427450
O             0.6708892916       -3.1065993010        2.2787549250
H             1.4716974940       -2.6278023980        1.9377706560
H             0.9876338227       -3.9441524560        2.6178458040
O            -0.6591835187       -2.6446989680       -0.0061018753
H            -1.6294452670       -2.6047534910        0.0689640889
H            -0.2976404127       -2.9182347060        0.8581116410
O             2.9315631440       -1.7690199190       -1.5185128190
H             2.1212650400       -2.2682449060       -1.8233742860
H             3.6849860230       -2.2375946310       -1.8769104050
O             1.9070332390        0.7155038249       -1.6287230710
H             2.4677278630       -0.0768553883       -1.7046227780
H             1.2023752330        0.4293776100       -0.9884807846
O            -0.9470891371       -1.5207395380       -3.7745167650
H            -1.1220494440       -1.7768900480       -4.6802641040
H            -0.4743469054       -0.6497260807       -3.8175051860
O            -3.3173836790       -2.1702637630       -0.0324481335
H            -3.2862843400       -1.6273978660       -0.8703395546
H            -4.0803434920       -2.7421878060       -0.1077707215
O             3.2703693050        0.6426318526        2.1900859880
H             4.0071164580        0.8723904146        2.7552072430
H             3.2598466940        1.3071236370        1.4472401340
O            -2.9200565360        2.0880723300        1.2480943670
H            -3.7668551400        2.4945204610        1.4315398910
H            -2.9883845660        1.1500497210        1.5978577920
O             2.7994892850       -1.9271180460        1.2642768680
H             2.9832218930       -1.0365908850        1.6080235040
H             2.8157939070       -1.8522304020        0.2944099012
O            -0.0002536436       -0.0670514916       -0.0079081474
H            -0.7750257761        0.4082174899       -0.3866093225
H            -0.2137555910       -1.0273212050       -0.0421761669
O             0.7797678159       -3.0491862150       -2.2635410990
H             0.2098584220       -2.5548457670       -2.8784936960
H             0.2715759440       -3.0680501610       -1.4325646740
O             3.1013895190        2.3603134340        0.2216496795
H             2.3895366980        3.0034966870        0.3939087843
H             2.7870627280        1.8107991040       -0.5196883641
O             0.5599017958        0.6894623927        2.5126758630
H             1.5286142300        0.6606811900        2.5764914250
H             0.3539969910        0.4164451698        1.5926915200
O            -3.1022125080       -0.7576913854       -2.2193839490
H            -2.7671897150        0.1000561459       -1.9049321600
H            -2.3845236270       -1.1281115470       -2.7630463950
    63
 Energy=    -106.840084318380
O             0.3259276367        0.7806173836       -3.8342002340
H             0.9903823222        0.7269415033       -3.1149653530
H            -0.2007407473        1.5617262310       -3.6436867850
O            -0.6181478184        3.0911884710        2.3695242370
H            -1.4750489470        2.8272576290        1.9903955110
H            -0.1770907936        2.2437111630        2.5900851070
O             0.1690374451        3.0503070660       -1.7969198800
H             0.9250737644        2.4566377380       -1.8829848330
H             0.3547736248        3.5600306000       -0.9861538098
O             0.9669215678        4.0749326240        0.5776829634
H             0.3464304282        3.7059612440        1.2774938920
H             1.1299041720        4.9856475570        0.8214664611
O            -3.1888028810       -0.3575710368        2.0731009890
H            -2.4758191120       -0.6917004693        2.6599886240
H            -3.2563727230       -0.9958823764        1.3448407540
O            -1.8707115990        1.4383437790       -1.1434446590
H            -1.2296035170        2.1231651780       -1.4326702090
H            -2.3145489410        1.7857351370       -0.3459527978
O            -1.0750169730       -1.2540867040        3.4831592120
H            -0.4910841244       -0.4867360924        3.3429683070
H            -0.5698241772       -2.0080557100        3.1483003750
O             0.6709475141       -3.1069417190        2.2786818700
H             1.4717988030       -2.6277671990        1.9377317020
H             0.9875082678       -3.9439442140        2.6176606700
O            -0.6593315481       -2.6446522240       -0.0061560177
H            -1.6298174600       -2.6052616610        0.0691529979
H            -0.2976329166       -2.9184489720        0.8582639465
O             2.9315233420       -1.7689383000       -1.5185232480
H             2.1212337770       -2.2685167440       -1.8232101870
H             3.6850011930       -2.2377113130       -1.8762954620
O             1.9062815350        0.7155399494       -1.6290807840
H             2.4672250100       -0.0768275406       -1.7045888990
H             1.2018165430        0.4292570836       -0.9882599769
O            -0.9468929114       -1.5211258460       -3.7748587300
H            -1.1219539180       -1.7773243820       -4.6805280460
H            -0.4744592067       -0.6501848864       -3.8178987450
O            -3.3174172360       -2.1698375870       -0.0324833430
H            -3.2859003880       -1.6272327130       -0.8705780763
H            -4.0804171300       -2.7420559250       -0.1081938451
O             3.2703970110        0.6426619695        2.1896227780
H             4.0071706260        0.8726798441        2.7547463190
H             3.2596378640        1.3069326260        1.4466161450
O            -2.9198898670        2.0878230280        1.2479633890
H            -3.7666079730        2.4943047100        1.4312673380
H            -2.9885050050        1.1496869310        1.5972932880
O             2.7995699020       -1.9271444170        1.2643210130
H             2.9831245600       -1.0369055100        1.6080044090
H             2.8156995480       -1.8525777570        0.2946155259
O            -0.0005116854       -0.0670598440       -0.0074174885
H            -0.7747328691        0.4083865853       -0.3865716710
H            -0.2137078080       -1.0271571910       -0.0420115754
O             0.7796937091       -3.0495474830       -2.2632951100
H             0.2100728862       -2.5550136510       -2.8783616330
H             0.2716357256       -3.0682896620       -1.4326053720
O             3.1011597610        2.3603041890        0.2211996315
H             2.3894949300        3.0035426530        0.3939823605
H             2.7863423960        1.8107698400       -0.5201242011
O             0.5604700870        0.6897715418        2.5131520460
H             1.5284905950        0.6606759904        2.5764699440
H             0.3538754478        0.4160309403        1.5931896560
O            -3.1011382480       -0.7574606478       -2.2189760500
H            -2.7663395200        0.1003335791       -1.9053367160
H            -2.3840428460       -1.1281873840       -2.7630982420
    63
 Energy=    -106.840095757610
O             0.3351388252        0.7809828296       -3.8418177630
H             0.9980779567        0.7241814105       -3.1218387020
H            -0.1854566833        1.5666549130       -3.6542217330
O            -0.6187282536        3.0928270880        2.3701212320
H            -1.4747126420        2.8287544690        1.9891540060
H            -0.1772348784        2.2456737890        2.5890769890
O             0.1724046044        3.0437525200       -1.7971240340
H             0.9258882456        2.4465508880       -1.8766871080
H             0.3596806690        3.5594832440       -0.9911125499
O             0.9668547246        4.0770691790        0.5779989757
H             0.3469156721        3.7073798290        1.2781774570
H             1.1252780790        4.9894390680        0.8187941396
O            -3.1905044990       -0.3570248363        2.0754466840
H            -2.4764044340       -0.6906968654        2.6613692610
H            -3.2579346090       -0.9966219537        1.3478409510
O            -1.8729110770        1.4365872440       -1.1413733510
H            -1.2316277540        2.1203341870       -1.4316254880
H            -2.3164906750        1.7833885920       -0.3435722002
O            -1.0739203900       -1.2535384090        3.4856899840
H            -0.4944123624       -0.4846252840        3.3409286730
H            -0.5686954886       -2.0062187490        3.1478916810
O             0.6723137926       -3.1058691260        2.2766981640
H             1.4735646690       -2.6274040800        1.9367830900
H             0.9894139592       -3.9433781330        2.6172482600
O            -0.6601862315       -2.6477837190       -0.0062653192
H            -1.6315016000       -2.6110241230        0.0706484103
H            -0.2975650280       -2.9220503880        0.8578026227
O             2.9331408890       -1.7683675450       -1.5196062680
H             2.1229388850       -2.2682343900       -1.8244448040
H             3.6869839890       -2.2395577230       -1.8736237910
O             1.9035268710        0.7142484388       -1.6281754600
H             2.4680637050       -0.0758526464       -1.7023838970
H             1.1981538550        0.4253038816       -0.9883913882
O            -0.9497118279       -1.5154698220       -3.7747864750
H            -1.1273365750       -1.7754520800       -4.6787838560
H            -0.4754357757       -0.6462455976       -3.8214333080
O            -3.3172346310       -2.1680920450       -0.0298278947
H            -3.2852387440       -1.6272910320       -0.8696216797
H            -4.0775657050       -2.7430614700       -0.1062363228
O             3.2699923730        0.6414704407        2.1886722820
H             4.0026684750        0.8765319832        2.7562737730
H             3.2580768130        1.3062862760        1.4461234650
O            -2.9205553540        2.0881922730        1.2511714820
H            -3.7663926410        2.4957176530        1.4361744360
H            -2.9908850760        1.1492974620        1.5979337680
O             2.8013528530       -1.9288411880        1.2633249280
H             2.9841548890       -1.0389638760        1.6068060900
H             2.8162731460       -1.8554953850        0.2938592808
O            -0.0019649603       -0.0693747627       -0.0055246845
H            -0.7747133844        0.4054703180       -0.3874789374
H            -0.2136445364       -1.0293922030       -0.0419455638
O             0.7792318364       -3.0451055130       -2.2650692430
H             0.2107577533       -2.5476585450       -2.8778890540
H             0.2716870174       -3.0669773870       -1.4343221480
O             3.0983218110        2.3610361490        0.2216599342
H             2.3878622280        3.0052024750        0.3955604659
H             2.7818888950        1.8120453890       -0.5194927852
O             0.5611462384        0.6917962946        2.5132049990
H             1.5286264790        0.6603172685        2.5747198650
H             0.3524787728        0.4128034557        1.5950767870
O            -3.1017138500       -0.7573510781       -2.2157212190
H            -2.7690438280        0.1022260153       -1.9060184650
H            -2.3866243740       -1.1272274660       -2.7623071580
    63
 Energy=    -106.840097667140
O             0.3382638641        0.7810972571       -3.8438247300
H             1.0008082990        0.7233747768       -3.1234474650
H            -0.1800895935        1.5684728310       -3.6571893070
O            -0.6186117050        3.0933979820        2.3699141110
H            -1.4747841390        2.8291040450        1.9891442510
H            -0.1771557578        2.2460799700        2.5887149260
O             0.1723379292        3.0419777320       -1.7973637320
H             0.9251210954        2.4438064360       -1.8755369050
H             0.3596546628        3.5585836140       -0.9919419202
O             0.9663642988        4.0774060120        0.5771265345
H             0.3469592627        3.7076358740        1.2776374830
H             1.1242362270        4.9899570260        0.8173996852
O            -3.1909116730       -0.3570019079        2.0759512320
H            -2.4767725220       -0.6904820198        2.6617509300
H            -3.2582804610       -0.9965085028        1.3484985380
O            -1.8737601450        1.4355496120       -1.1404436210
H            -1.2328170700        2.1193756470       -1.4314276840
H            -2.3171400120        1.7828581960       -0.3426722694
O            -1.0739717510       -1.2533022730        3.4858420420
H            -0.4946821297       -0.4840269918        3.3404621710
H            -0.5684210933       -2.0057875610        3.1478122160
O             0.6727383726       -3.1061864960        2.2767660140
H             1.4740648660       -2.6272909860        1.9365118210
H             0.9896087329       -3.9427166900        2.6169948770
O            -0.6603858450       -2.6486620530       -0.0062713942
H            -1.6313994580       -2.6118230130        0.0708000961
H            -0.2974931918       -2.9226728020        0.8575824012
O             2.9338172240       -1.7687203900       -1.5197580970
H             2.1234744520       -2.2680719530       -1.8248931120
H             3.6875136460       -2.2403941140       -1.8732016660
O             1.9036350330        0.7137159845       -1.6274159070
H             2.4687354590       -0.0758862183       -1.7017881510
H             1.1979831220        0.4243392431       -0.9885437836
O            -0.9503926757       -1.5134136840       -3.7743185910
H            -1.1285913900       -1.7741306610       -4.6781031750
H            -0.4751350619       -0.6445699777       -3.8219027850
O            -3.3168075640       -2.1678991390       -0.0291655362
H            -3.2854286420       -1.6273680400       -0.8688976742
H            -4.0771085970       -2.7436602380       -0.1054519703
O             3.2696651890        0.6410872028        2.1885829100
H             4.0015653940        0.8772326458        2.7572644690
H             3.2579087760        1.3062046610        1.4463996210
O            -2.9209380140        2.0883566150        1.2519460240
H            -3.7664654870        2.4962486720        1.4378198530
H            -2.9913456640        1.1494831060        1.5987541750
O             2.8017993840       -1.9294042620        1.2631623170
H             2.9845568200       -1.0392746470        1.6064945880
H             2.8166398060       -1.8559975350        0.2934121567
O            -0.0020909516       -0.0700386866       -0.0055854770
H            -0.7750754128        0.4045850789       -0.3876403455
H            -0.2138714328       -1.0301864640       -0.0419813160
O             0.7792382624       -3.0436829630       -2.2656423190
H             0.2105769454       -2.5454740840       -2.8779794040
H             0.2715415241       -3.0663627430       -1.4347300100
O             3.0978770870        2.3611055060        0.2220474665
H             2.3874932700        3.0054371900        0.3957119499
H             2.7814762480        1.8122086710       -0.5190491521
O             0.5607331998        0.6919173860        2.5127160580
H             1.5287694880        0.6602737911        2.5742653650
H             0.3522298544        0.4124922569        1.5950343750
O            -3.1030342760       -0.7574157846       -2.2152585900
H            -2.7704611730        0.1025023419       -1.9055291180
H            -2.3874538030       -1.1266968840       -2.7620559640
    63
 Energy=    -106.840099731350
O             0.3399721014        0.7813295476       -3.8447956480
H             1.0022129270        0.7230246056       -3.1240961910
H            -0.1771824925        1.5693570270       -3.6583309340
O            -0.6185242396        3.0937234130        2.3695907330
H            -1.4748104610        2.8292008170        1.9890919010
H            -0.1770780204        2.2463144640        2.5884559180
O             0.1719959084        3.0418780990       -1.7976838910
H             0.9244225628        2.4434277290       -1.8760646040
H             0.3595290952        3.5583002330       -0.9921249832
O             0.9659485961        4.0775720380        0.5764391942
H             0.3469743047        3.7077319460        1.2771963610
H             1.1235077260        4.9901712170        0.8165383812
O            -3.1912272280       -0.3571261228        2.0764105000
H            -2.4770242680       -0.6904303827        2.6621100950
H            -3.2585461520       -0.9965290357        1.3489892040
O            -1.8739551410        1.4349980100       -1.1398246240
H            -1.2335936750        2.1191849280       -1.4312718370
H            -2.3173566350        1.7827478420       -0.3422480912
O            -1.0740883650       -1.2531243360        3.4857895130
H            -0.4947131701       -0.4836832106        3.3403700850
H            -0.5681913241       -2.0054519400        3.1478593390
O             0.6728845772       -3.1061784340        2.2768006740
H             1.4742817510       -2.6273627180        1.9363433270
H             0.9897075888       -3.9425467090        2.6169143180
O            -0.6605811569       -2.6493754760       -0.0063219985
H            -1.6313522400       -2.6122007790        0.0710062398
H            -0.2974924836       -2.9230411730        0.8574339279
O             2.9342088330       -1.7692996820       -1.5195410840
H             2.1238180150       -2.2681720400       -1.8251227710
H             3.6878788420       -2.2413085380       -1.8726747860
O             1.9038299010        0.7132059681       -1.6267522850
H             2.4689917480       -0.0762151099       -1.7014345400
H             1.1978803730        0.4236440496       -0.9885926509
O            -0.9505115565       -1.5120762470       -3.7741353590
H            -1.1291492610       -1.7731900180       -4.6777476350
H            -0.4748213770       -0.6433515957       -3.8221502010
O            -3.3164975420       -2.1680819940       -0.0287932009
H            -3.2854062750       -1.6273165830       -0.8682323821
H            -4.0768563040       -2.7438731490       -0.1051661055
O             3.2695027280        0.6408188794        2.1883428710
H             4.0008020600        0.8777296601        2.7575729360
H             3.2578239860        1.3061073300        1.4463206460
O            -2.9212893640        2.0881367960        1.2520005190
H            -3.7664242910        2.4964547450        1.4388500200
H            -2.9915955010        1.1494639440        1.5994113640
O             2.8021371190       -1.9299315670        1.2631652120
H             2.9848461500       -1.0395604090        1.6063154700
H             2.8169575920       -1.8564347790        0.2932710624
O            -0.0021430995       -0.0704823070       -0.0057102936
H            -0.7753131625        0.4040972194       -0.3877175554
H            -0.2141974545       -1.0306425860       -0.0419180136
O             0.7792650292       -3.0427958060       -2.2658324070
H             0.2104894305       -2.5442305650       -2.8780475440
H             0.2713544412       -3.0661388200       -1.4349639850
O             3.0976153060        2.3610100780        0.2220812991
H             2.3872862310        3.0054578970        0.3956403835
H             2.7810046100        1.8122707590       -0.5189669515
O             0.5605722364        0.6917315928        2.5126544620
H             1.5288595620        0.6603054973        2.5740043000
H             0.3520261583        0.4124063274        1.5950602010
O            -3.1036736240       -0.7572389551       -2.2153004710
H            -2.7709163250        0.1026465114       -1.9051752210
H            -2.3875641980       -1.1263005040       -2.7617827330
    63
 Energy=    -106.840112037650
O             0.3474471913        0.7841136492       -3.8495420600
H             1.0063068680        0.7229053344       -3.1259574320
H            -0.1671199171        1.5748656420       -3.6660188890
O            -0.6171671883        3.0944560470        2.3682965150
H            -1.4744728590        2.8309371210        1.9893580180
H            -0.1755507141        2.2476728350        2.5877017410
O             0.1746387268        3.0427815450       -1.8006321810
H             0.9263056122        2.4431133980       -1.8779388330
H             0.3634868011        3.5611910430       -0.9967833691
O             0.9634562292        4.0807515670        0.5738964707
H             0.3440688431        3.7096556250        1.2737103270
H             1.1179566450        4.9938900750        0.8140455272
O            -3.1936713270       -0.3585519486        2.0822112000
H            -2.4769380310       -0.6906805080        2.6664302780
H            -3.2598559780       -0.9975395720        1.3545998240
O            -1.8728872120        1.4377343910       -1.1375460780
H            -1.2340813160        2.1223500970       -1.4307780590
H            -2.3158440600        1.7843252960       -0.3391946040
O            -1.0741612060       -1.2523571380        3.4843444400
H            -0.4945267846       -0.4827698714        3.3431911140
H            -0.5666262122       -2.0043953010        3.1491289620
O             0.6725577153       -3.1059425870        2.2766242650
H             1.4736176500       -2.6281423440        1.9339614760
H             0.9895743175       -3.9416943270        2.6183415180
O            -0.6625923399       -2.6558945040       -0.0069857976
H            -1.6328725530       -2.6155714120        0.0749445400
H            -0.2968332768       -2.9276680250        0.8568987267
O             2.9372088100       -1.7735986740       -1.5157096020
H             2.1255013910       -2.2687901830       -1.8241897720
H             3.6898302370       -2.2464921470       -1.8701422700
O             1.9017387820        0.7086412152       -1.6263330690
H             2.4668705290       -0.0812031121       -1.6991176710
H             1.1958147830        0.4199653412       -0.9873007580
O            -0.9500817962       -1.5058651610       -3.7760025070
H            -1.1314071580       -1.7673079050       -4.6789532000
H            -0.4753762248       -0.6369309036       -3.8263534540
O            -3.3155558280       -2.1697406530       -0.0272872796
H            -3.2820594040       -1.6276994480       -0.8657221517
H            -4.0772456670       -2.7434627730       -0.1052014711
O             3.2683872470        0.6414807273        2.1850224970
H             3.9972226650        0.8833025709        2.7553569430
H             3.2553825590        1.3045078570        1.4408097220
O            -2.9233738770        2.0858579030        1.2544109260
H            -3.7674071480        2.4956197420        1.4428860380
H            -2.9946489720        1.1471917710        1.6017083880
O             2.8046191590       -1.9327350600        1.2653120660
H             2.9861098840       -1.0421146550        1.6078136420
H             2.8219339340       -1.8606152800        0.2955150473
O            -0.0040929668       -0.0748464890       -0.0060631183
H            -0.7752746887        0.4021612078       -0.3889595792
H            -0.2162589842       -1.0347750600       -0.0446965579
O             0.7785013667       -3.0388428340       -2.2678178820
H             0.2099079819       -2.5365366540       -2.8764992230
H             0.2703296840       -3.0692333890       -1.4376011800
O             3.0933877210        2.3610870080        0.2200114615
H             2.3849986900        3.0066123190        0.3965170653
H             2.7737887830        1.8117069280       -0.5195337631
O             0.5604783813        0.6912611952        2.5140464560
H             1.5293486610        0.6590122244        2.5727225820
H             0.3491151505        0.4111417069        1.5978192270
O            -3.1014403800       -0.7561979061       -2.2145224960
H            -2.7691285890        0.1035171377       -1.9040188430
H            -2.3848292390       -1.1248570920       -2.7607243770
    63
 Energy=    -106.840116149720
O             0.3545309583        0.7858905805       -3.8540879880
H             1.0113644710        0.7226900355       -3.1290451380
H            -0.1539208118        1.5811019170       -3.6737841050
O            -0.6165166525        3.0958366020        2.3672889310
H            -1.4744214690        2.8314171160        1.9910999080
H            -0.1748086441        2.2485279360        2.5865022660
O             0.1762146704        3.0400666680       -1.8036397610
H             0.9260921993        2.4372495960       -1.8764930990
H             0.3636564492        3.5600550890       -1.0001832570
O             0.9608432345        4.0828942610        0.5699709997
H             0.3428588688        3.7112063960        1.2704126810
H             1.1147229690        4.9959810470        0.8107120811
O            -3.1950585850       -0.3591701170        2.0853301450
H            -2.4779722840       -0.6904228331        2.6687691580
H            -3.2607633650       -0.9978025347        1.3571600280
O            -1.8738948020        1.4373671040       -1.1347259370
H            -1.2361497720        2.1219372360       -1.4297321770
H            -2.3155106700        1.7854040670       -0.3363540569
O            -1.0738401430       -1.2522769970        3.4850226670
H            -0.4936488360       -0.4824948348        3.3441604710
H            -0.5659880225       -2.0039676060        3.1487658530
O             0.6724851708       -3.1057657800        2.2766924280
H             1.4736306590       -2.6285131530        1.9334004660
H             0.9897012345       -3.9408288030        2.6197658320
O            -0.6626066056       -2.6596528340       -0.0071890010
H            -1.6326679860       -2.6173399780        0.0760807275
H            -0.2965032630       -2.9302515380        0.8561690823
O             2.9392968400       -1.7760685950       -1.5141899770
H             2.1265978460       -2.2688561590       -1.8233048530
H             3.6908330340       -2.2491894750       -1.8703855470
O             1.9032703380        0.7055603707       -1.6246702870
H             2.4676411160       -0.0845640932       -1.6973579980
H             1.1955620840        0.4171924817       -0.9877068515
O            -0.9510192248       -1.4991163690       -3.7766331520
H            -1.1334232380       -1.7621898170       -4.6789012870
H            -0.4743534548       -0.6312492423       -3.8280884420
O            -3.3154131770       -2.1700275500       -0.0253605188
H            -3.2818478590       -1.6286616850       -0.8640768910
H            -4.0771129160       -2.7436500740       -0.1040648603
O             3.2674453520        0.6412995226        2.1840867120
H             3.9944846670        0.8863674188        2.7553214250
H             3.2541726770        1.3044275140        1.4400323620
O            -2.9246755540        2.0858548540        1.2578481870
H            -3.7688127820        2.4953947060        1.4463016010
H            -2.9961555110        1.1472282740        1.6053873470
O             2.8060675590       -1.9343002540        1.2667849390
H             2.9873980010       -1.0431597020        1.6086230860
H             2.8254742620       -1.8624596770        0.2968049640
O            -0.0051511079       -0.0778771081       -0.0073198922
H            -0.7766427129        0.3994067201       -0.3892935687
H            -0.2182867891       -1.0376265220       -0.0468000526
O             0.7781318600       -3.0349337680       -2.2695839010
H             0.2088782309       -2.5305682550       -2.8765513200
H             0.2698245394       -3.0700383730       -1.4396314080
O             3.0911769480        2.3612746590        0.2201431141
H             2.3828977540        3.0071855000        0.3959721313
H             2.7709822540        1.8117435960       -0.5188473702
O             0.5599449928        0.6915318972        2.5132036810
H             1.5286069750        0.6581468920        2.5715623730
H             0.3478735040        0.4105321839        1.5971755860
O            -3.1023291220       -0.7569635851       -2.2129524090
H            -2.7713505090        0.1033177089       -1.9020638330
H            -2.3853047460       -1.1233450360       -2.7600228110
    63
 Energy=    -106.840122570970
O             0.3584129089        0.7903615811       -3.8574461710
H             1.0116049420        0.7241478311       -3.1293853170
H            -0.1472102331        1.5879686880       -3.6796513360
O            -0.6159884232        3.0957425760        2.3656100820
H            -1.4758477850        2.8305844880        1.9940801180
H            -0.1729128497        2.2495123680        2.5852812990
O             0.1797262128        3.0389758200       -1.8076511900
H             0.9291494609        2.4350689660       -1.8757593310
H             0.3651335258        3.5620069060       -1.0058900920
O             0.9573062513        4.0865868020        0.5660862427
H             0.3401322189        3.7137497000        1.2664737560
H             1.1117750090        4.9992057220        0.8082639458
O            -3.1965001010       -0.3607958399        2.0886726530
H            -2.4791763150       -0.6908339013        2.6724666900
H            -3.2623872610       -0.9992547343        1.3602007330
O            -1.8731415820        1.4415939180       -1.1330561370
H            -1.2329461370        2.1237318440       -1.4288260430
H            -2.3119853260        1.7894990890       -0.3330954166
O            -1.0709051410       -1.2540630380        3.4906918610
H            -0.4922644578       -0.4840157896        3.3460976120
H            -0.5663703394       -2.0046883170        3.1469596340
O             0.6716562451       -3.1065731620        2.2760929530
H             1.4736870050       -2.6289590880        1.9355644300
H             0.9885779703       -3.9399154010        2.6237684240
O            -0.6632275695       -2.6640632810       -0.0080650750
H            -1.6331971300       -2.6203508010        0.0762665950
H            -0.2961040889       -2.9329626780        0.8556427311
O             2.9405709160       -1.7796421700       -1.5112980910
H             2.1267508760       -2.2711971780       -1.8192837500
H             3.6906240630       -2.2516750490       -1.8721637130
O             1.9025508170        0.7014482032       -1.6239601110
H             2.4671241870       -0.0888696422       -1.6953516420
H             1.1943439040        0.4120729125       -0.9881634300
O            -0.9502978586       -1.4935857660       -3.7791807370
H            -1.1322699700       -1.7555569170       -4.6818686850
H            -0.4719304560       -0.6267605550       -3.8309465680
O            -3.3170083480       -2.1696808070       -0.0232257812
H            -3.2803595590       -1.6292113900       -0.8624255419
H            -4.0790668800       -2.7426430360       -0.1035565618
O             3.2674027430        0.6417865926        2.1815900820
H             3.9934259040        0.8898381846        2.7528210680
H             3.2503276290        1.3050333140        1.4376418650
O            -2.9255885200        2.0846084790        1.2617937660
H            -3.7711022440        2.4928057450        1.4471297810
H            -2.9963321100        1.1465918530        1.6105385160
O             2.8084086150       -1.9358715810        1.2711891510
H             2.9884973070       -1.0442172600        1.6119176280
H             2.8304168260       -1.8653244550        0.3012817063
O            -0.0076473588       -0.0814048734       -0.0084897413
H            -0.7787896706        0.3976204160       -0.3889520305
H            -0.2203509755       -1.0411604530       -0.0485297358
O             0.7775376682       -3.0320929210       -2.2720335190
H             0.2077729252       -2.5259673250       -2.8772187670
H             0.2690626904       -3.0718491490       -1.4425147350
O             3.0864945420        2.3620844800        0.2178758376
H             2.3781372010        3.0083316660        0.3918382157
H             2.7673670530        1.8105451510       -0.5202410427
O             0.5590478165        0.6907614928        2.5112971270
H             1.5274267960        0.6576935454        2.5697036270
H             0.3467952792        0.4087362553        1.5956355770
O            -3.0985765050       -0.7571104978       -2.2100915120
H            -2.7690885580        0.1033914236       -1.8989111150
H            -2.3821626510       -1.1210313540       -2.7597313020
    63
 Energy=    -106.840134582660
O             0.3687085016        0.8010906983       -3.8640678770
H             1.0210435180        0.7276212331       -3.1359659500
H            -0.1329105386        1.6004912560       -3.6823691450
O            -0.6132049130        3.0952035920        2.3622400220
H            -1.4754481750        2.8320481960        1.9950480800
H            -0.1707805924        2.2470684950        2.5774593090
O             0.1812141400        3.0334808440       -1.8141478400
H             0.9289971909        2.4261799440       -1.8711176540
H             0.3630236503        3.5639645230       -1.0165885220
O             0.9493895304        4.0905487180        0.5566967253
H             0.3360714833        3.7164574620        1.2598788510
H             1.1072131780        5.0021726080        0.8003852942
O            -3.1930531480       -0.3633134202        2.0949563710
H            -2.4764916420       -0.6950971957        2.6790725300
H            -3.2592265980       -1.0019179210        1.3666608680
O            -1.8711610960        1.4430892640       -1.1256761950
H            -1.2307692100        2.1232788180       -1.4255350500
H            -2.3080088150        1.7929334040       -0.3253730277
O            -1.0697131970       -1.2563975170        3.4943081870
H            -0.4921905969       -0.4861461104        3.3466234100
H            -0.5653408634       -2.0073205070        3.1507679880
O             0.6699266984       -3.1071736810        2.2767463060
H             1.4743708670       -2.6311512340        1.9396918310
H             0.9842678505       -3.9374764090        2.6338056460
O            -0.6668770371       -2.6705880720       -0.0104104012
H            -1.6366714490       -2.6286974710        0.0762300470
H            -0.2974605932       -2.9388654670        0.8523034528
O             2.9389929860       -1.7862705760       -1.5040576650
H             2.1251412900       -2.2747782490       -1.8163728530
H             3.6888735080       -2.2531484950       -1.8720558750
O             1.9000478400        0.6934932812       -1.6235537440
H             2.4665663620       -0.0956166599       -1.6925902520
H             1.1899761060        0.4031152575       -0.9901393572
O            -0.9433023148       -1.4802077390       -3.7827846300
H            -1.1261453480       -1.7428694970       -4.6852011240
H            -0.4656404307       -0.6129747459       -3.8351484480
O            -3.3177431080       -2.1696159220       -0.0183807697
H            -3.2782455860       -1.6267212760       -0.8556425544
H            -4.0840539800       -2.7367067470       -0.0992298182
O             3.2645605050        0.6472942721        2.1790985910
H             3.9927037180        0.8943218783        2.7480881670
H             3.2460848670        1.3105400640        1.4354645770
O            -2.9252572510        2.0825156120        1.2670682370
H            -3.7737742560        2.4862843050        1.4480123860
H            -2.9930891150        1.1440807460        1.6153805780
O             2.8123697080       -1.9378510900        1.2807526000
H             2.9901282850       -1.0438618330        1.6168640640
H             2.8324720520       -1.8718913780        0.3105635807
O            -0.0106941903       -0.0885022227       -0.0103522339
H            -0.7814256932        0.3932990021       -0.3884739101
H            -0.2258129573       -1.0476528200       -0.0500021326
O             0.7746680773       -3.0290210260       -2.2771304000
H             0.2095110590       -2.5188893640       -2.8832296780
H             0.2632502155       -3.0688141640       -1.4494391840
O             3.0769597680        2.3645908380        0.2123038830
H             2.3666516330        3.0100464840        0.3818440126
H             2.7605922100        1.8078138440       -0.5230804913
O             0.5558734532        0.6870827807        2.5055023270
H             1.5243692310        0.6574471723        2.5636753550
H             0.3440484345        0.4014120510        1.5906257570
O            -3.0905126770       -0.7529142412       -2.2025619990
H            -2.7624360850        0.1079044727       -1.8898514260
H            -2.3741153560       -1.1136604620       -2.7540793440
    63
 Energy=    -106.840134795010
O             0.3690165576        0.8013197778       -3.8642475290
H             1.0212745590        0.7277266225       -3.1361165350
H            -0.1323518567        1.6008042680       -3.6824457120
O            -0.6131268862        3.0951298800        2.3622565660
H            -1.4753934080        2.8321144030        1.9950592070
H            -0.1707514322        2.2471004620        2.5772626560
O             0.1811721426        3.0332446250       -1.8142465850
H             0.9288443489        2.4258611670       -1.8710186170
H             0.3629792408        3.5639578340       -1.0168148740
O             0.9492455949        4.0906244050        0.5563983264
H             0.3359553274        3.7165278900        1.2597155890
H             1.1071161990        5.0021922420        0.8002008600
O            -3.1928401790       -0.3633669179        2.0950331180
H            -2.4764461540       -0.6951211682        2.6791926300
H            -3.2592131090       -1.0018328720        1.3667749830
O            -1.8711579370        1.4430188500       -1.1254577830
H            -1.2308654300        2.1232045550       -1.4255005830
H            -2.3080157030        1.7930223980       -0.3252047071
O            -1.0697031500       -1.2564628330        3.4944616730
H            -0.4921310350       -0.4861483081        3.3466645010
H            -0.5653355701       -2.0073671570        3.1507885480
O             0.6698639456       -3.1072098680        2.2766960900
H             1.4743735770       -2.6311654140        1.9397760660
H             0.9842516387       -3.9374188740        2.6339903470
O            -0.6668971671       -2.6708293160       -0.0104699066
H            -1.6366799070       -2.6287944660        0.0762281097
H            -0.2974858998       -2.9389643570        0.8522712683
O             2.9390773420       -1.7863600550       -1.5039580820
H             2.1250492500       -2.2748280380       -1.8162974710
H             3.6888247330       -2.2532167460       -1.8720358520
O             1.9000627940        0.6933967368       -1.6236814880
H             2.4666559120       -0.0957348142       -1.6924376150
H             1.1900225660        0.4029671306       -0.9902426054
O            -0.9432228291       -1.4798593160       -3.7828265870
H            -1.1260384760       -1.7425130810       -4.6851391980
H            -0.4655190084       -0.6126548476       -3.8352598510
O            -3.3176908160       -2.1696950570       -0.0182691072
H            -3.2782398290       -1.6266691520       -0.8556142759
H            -4.0842254610       -2.7365885560       -0.0990939216
O             3.2645015150        0.6473703395        2.1790772270
H             3.9926624490        0.8944153554        2.7480462220
H             3.2459443990        1.3106765390        1.4354174220
O            -2.9252496620        2.0824851180        1.2672828530
H            -3.7738823070        2.4861939210        1.4480700850
H            -2.9931334630        1.1440057470        1.6155545660
O             2.8123266410       -1.9378430430        1.2809147680
H             2.9901110070       -1.0438560980        1.6169487640
H             2.8324754850       -1.8719465670        0.3107243263
O            -0.0107772139       -0.0886439265       -0.0103415589
H            -0.7814987901        0.3931372887       -0.3885432785
H            -0.2259482292       -1.0478521970       -0.0501224609
O             0.7745741490       -3.0290266850       -2.2772496830
H             0.2095128693       -2.5186278320       -2.8832688510
H             0.2631582271       -3.0688103910       -1.4495563720
O             3.0768245490        2.3645560440        0.2122992812
H             2.3665566480        3.0100891350        0.3816897438
H             2.7605355630        1.8078175700       -0.5231153047
O             0.5558454852        0.6869401751        2.5053978830
H             1.5243440660        0.6574304327        2.5635439350
H             0.3440437516        0.4013828030        1.5905323530
O            -3.0903699920       -0.7528872892       -2.2024305610
H            -2.7624443700        0.1078688512       -1.8897781400
H            -2.3740561590       -1.1135297220       -2.7539753870
    63
 Energy=    -106.840134987820
O             0.3694385940        0.8016425024       -3.8645305080
H             1.0216965630        0.7278602703       -3.1364406360
H            -0.1318373025        1.6010936730       -3.6824062250
O            -0.6130570272        3.0950939310        2.3621738800
H            -1.4753435240        2.8320954570        1.9949915460
H            -0.1706600324        2.2470754040        2.5770211820
O             0.1809966909        3.0329536330       -1.8142712200
H             0.9284780325        2.4253270090       -1.8707408750
H             0.3628912292        3.5639167230       -1.0170238700
O             0.9491260020        4.0906552780        0.5560980760
H             0.3358912167        3.7165289920        1.2594731050
H             1.1070236080        5.0021922980        0.7999835080
O            -3.1925031090       -0.3633386983        2.0950687630
H            -2.4762141330       -0.6952000355        2.6792721740
H            -3.2590443170       -1.0017544320        1.3668100510
O            -1.8712587430        1.4428877530       -1.1251920940
H            -1.2310260870        2.1230234720       -1.4254453990
H            -2.3080452660        1.7930377570       -0.3249476056
O            -1.0696238120       -1.2564928080        3.4946606090
H            -0.4920012634       -0.4861923375        3.3468099980
H            -0.5653627892       -2.0074103350        3.1508459860
O             0.6697646310       -3.1072624210        2.2767103220
H             1.4742687980       -2.6311610110        1.9398360630
H             0.9842700706       -3.9373446700        2.6342037320
O            -0.6669345199       -2.6711313510       -0.0105642014
H            -1.6366933740       -2.6288867270        0.0762381753
H            -0.2974899650       -2.9390996010        0.8522088137
O             2.9390000640       -1.7863952110       -1.5038398490
H             2.1249332110       -2.2748736010       -1.8161734580
H             3.6887372140       -2.2533047840       -1.8718089540
O             1.9000616600        0.6933541217       -1.6237873550
H             2.4667364420       -0.0957511653       -1.6922989240
H             1.1900090410        0.4028510544       -0.9904014323
O            -0.9430538679       -1.4793617250       -3.7827699470
H            -1.1258794410       -1.7421059490       -4.6850172880
H            -0.4652556721       -0.6122273381       -3.8353767340
O            -3.3176890760       -2.1697077030       -0.0182005237
H            -3.2781819310       -1.6266189850       -0.8555561129
H            -4.0845151220       -2.7362484320       -0.0989089105
O             3.2644111470        0.6474456613        2.1790253700
H             3.9925835600        0.8945689360        2.7479438740
H             3.2456960890        1.3107630940        1.4353588420
O            -2.9252431980        2.0824557370        1.2674534200
H            -3.7739490020        2.4860883420        1.4481094720
H            -2.9930659700        1.1439575050        1.6157457180
O             2.8121013210       -1.9377272730        1.2810359570
H             2.9899277590       -1.0437460670        1.6170368980
H             2.8323192340       -1.8718948960        0.3108458178
O            -0.0108278168       -0.0889117203       -0.0104034409
H            -0.7815509179        0.3928490916       -0.3886396437
H            -0.2260425034       -1.0481285800       -0.0502561150
O             0.7744491143       -3.0290014440       -2.2774078670
H             0.2094795020       -2.5182549460       -2.8832416830
H             0.2630313994       -3.0689605000       -1.4497186180
O             3.0767105800        2.3645273690        0.2122882530
H             2.3665206320        3.0101871340        0.3815200583
H             2.7604826170        1.8078625800       -0.5231970663
O             0.5558517013        0.6867681507        2.5052952680
H             1.5243580920        0.6573873383        2.5634049100
H             0.3440597759        0.4012579840        1.5904224020
O            -3.0901758520       -0.7529315891       -2.2022672530
H            -2.7624173590        0.1078662760       -1.8896575690
H            -2.3738514930       -1.1133905910       -2.7538913850
    63
 Energy=    -106.840135484800
O             0.3711592698        0.8031648211       -3.8657885360
H             1.0234173880        0.7288768895       -3.1377034920
H            -0.1311627085        1.6016693540       -3.6823269180
O            -0.6123560712        3.0946415420        2.3611712060
H            -1.4748323770        2.8318922180        1.9943377210
H            -0.1702442800        2.2464796840        2.5763362240
O             0.1797307505        3.0318517050       -1.8139330090
H             0.9264837911        2.4231829570       -1.8692629940
H             0.3621861968        3.5638075000       -1.0175141910
O             0.9492269552        4.0907521820        0.5554704243
H             0.3358126414        3.7164094650        1.2586856360
H             1.1067359030        5.0023244230        0.7994387836
O            -3.1907223910       -0.3632597431        2.0952973570
H            -2.4741202510       -0.6955028776        2.6790857650
H            -3.2574136180       -1.0012915870        1.3666235140
O            -1.8717678820        1.4418754510       -1.1243323700
H            -1.2317857990        2.1219784730       -1.4250713350
H            -2.3084979360        1.7922890870       -0.3241031568
O            -1.0690005610       -1.2566422740        3.4962065740
H            -0.4913515641       -0.4864400736        3.3480909800
H            -0.5656018060       -2.0076340210        3.1511562540
O             0.6690466454       -3.1077594370        2.2767673590
H             1.4730596490       -2.6307492020        1.9399649580
H             0.9846208108       -3.9371480330        2.6349065170
O            -0.6669501167       -2.6724808080       -0.0108708220
H            -1.6366463660       -2.6296976050        0.0758361083
H            -0.2975807482       -2.9400081720        0.8521106033
O             2.9381228280       -1.7862256590       -1.5033547270
H             2.1242405040       -2.2747203480       -1.8160120460
H             3.6879950930       -2.2544020090       -1.8696493650
O             1.9000057550        0.6938605589       -1.6239768760
H             2.4673755400       -0.0948037815       -1.6922196260
H             1.1895940370        0.4026989398       -0.9913014860
O            -0.9415512072       -1.4771207440       -3.7822883400
H            -1.1250879790       -1.7404780560       -4.6842966610
H            -0.4634694934       -0.6101536827       -3.8360248210
O            -3.3178542050       -2.1694425860       -0.0180498447
H            -3.2776538070       -1.6268111890       -0.8555363274
H            -4.0863456080       -2.7338169300       -0.0978103833
O             3.2638915050        0.6478147653        2.1787432510
H             3.9921533410        0.8953570235        2.7473329340
H             3.2447624660        1.3108635480        1.4348852650
O            -2.9252897070        2.0825638150        1.2680876530
H            -3.7742641030        2.4857770290        1.4482879970
H            -2.9927043320        1.1440215570        1.6163504530
O             2.8101777240       -1.9367711820        1.2811545180
H             2.9881190260       -1.0428618910        1.6174049890
H             2.8300160230       -1.8707874300        0.3109319284
O            -0.0108932410       -0.0903825740       -0.0112416626
H            -0.7820463457        0.3912852069       -0.3886970697
H            -0.2262381017       -1.0495346030       -0.0507975388
O             0.7741374958       -3.0290695730       -2.2775050500
H             0.2094817928       -2.5167291320       -2.8822971660
H             0.2625241816       -3.0706792500       -1.4501039530
O             3.0768526590        2.3643746070        0.2117654319
H             2.3671210730        3.0106290580        0.3810143498
H             2.7606318190        1.8082977150       -0.5241008708
O             0.5562839452        0.6864325118        2.5050344920
H             1.5248841450        0.6569618963        2.5629348290
H             0.3442832566        0.4006329328        1.5902892670
O            -3.0895301680       -0.7531298425       -2.2026957700
H            -2.7621607880        0.1076861686       -1.8895150730
H            -2.3724995440       -1.1131611860       -2.7538123780
    63
 Energy=    -106.840135533900
O             0.3712407930        0.8032586609       -3.8658153070
H             1.0234238870        0.7289615319       -3.1377023040
H            -0.1310314964        1.6018507340       -3.6824849270
O            -0.6122849896        3.0946322440        2.3611222840
H            -1.4748084010        2.8319303330        1.9943828960
H            -0.1702088816        2.2464302850        2.5763179600
O             0.1797612805        3.0318273360       -1.8139910450
H             0.9265295986        2.4232209590       -1.8693440530
H             0.3621122883        3.5637607740       -1.0175286170
O             0.9492004171        4.0908253960        0.5554583111
H             0.3358169460        3.7164688190        1.2586191200
H             1.1066939070        5.0024080920        0.7994317503
O            -3.1907250230       -0.3633342970        2.0953742180
H            -2.4741005450       -0.6954593803        2.6791477800
H            -3.2573681140       -1.0013186400        1.3666953850
O            -1.8717729360        1.4418827750       -1.1243070760
H            -1.2317533790        2.1220331410       -1.4250332030
H            -2.3084714920        1.7922256940       -0.3241290819
O            -1.0689117730       -1.2566769740        3.4962760080
H            -0.4913791630       -0.4864882721        3.3481305810
H            -0.5655792085       -2.0076280960        3.1511942470
O             0.6689931162       -3.1077786310        2.2767496080
H             1.4730143790       -2.6307292950        1.9399941790
H             0.9845889966       -3.9371399550        2.6349419000
O            -0.6669680895       -2.6725561720       -0.0108308505
H            -1.6366611240       -2.6298699510        0.0757944592
H            -0.2976386067       -2.9401323240        0.8521245582
O             2.9381505870       -1.7862981650       -1.5033294070
H             2.1242038280       -2.2746557200       -1.8160430330
H             3.6879500460       -2.2545161460       -1.8695932080
O             1.9000247110        0.6937740806       -1.6239539240
H             2.4673885140       -0.0947992141       -1.6922523260
H             1.1895967180        0.4025995583       -0.9913139861
O            -0.9414401561       -1.4770785250       -3.7823580600
H            -1.1250708740       -1.7403885220       -4.6843165400
H            -0.4634436922       -0.6100340417       -3.8360480960
O            -3.3178447920       -2.1694242140       -0.0180369228
H            -3.2776526750       -1.6268600560       -0.8555595187
H            -4.0863810780       -2.7337683840       -0.0977165886
O             3.2638811570        0.6478741954        2.1787270460
H             3.9921484600        0.8953925162        2.7473385370
H             3.2448413150        1.3109299810        1.4348297780
O            -2.9253321250        2.0826038750        1.2681788120
H            -3.7743477300        2.4857500700        1.4483596420
H            -2.9927373710        1.1440403360        1.6164209370
O             2.8101741180       -1.9367977330        1.2812041310
H             2.9881083070       -1.0428961250        1.6174268520
H             2.8299242150       -1.8707801300        0.3109882964
O            -0.0109344303       -0.0904206502       -0.0112581827
H            -0.7821194333        0.3912625315       -0.3886265853
H            -0.2262421415       -1.0495845430       -0.0508423758
O             0.7741731221       -3.0290574000       -2.2775022780
H             0.2095429534       -2.5167179260       -2.8823094030
H             0.2625128480       -3.0707003610       -1.4500628290
O             3.0768561350        2.3644731940        0.2117102816
H             2.3670814590        3.0105890050        0.3809389077
H             2.7606076660        1.8082751450       -0.5241483157
O             0.5562724317        0.6864016134        2.5049855470
H             1.5248364870        0.6569557123        2.5629147570
H             0.3442610497        0.4006136993        1.5902911320
O            -3.0895550970       -0.7531378254       -2.2027852550
H            -2.7621607940        0.1076708915       -1.8895242270
H            -2.3724750210       -1.1131379080       -2.7538128910
    63
 Energy=    -106.840136130850
O             0.3721056779        0.8052562555       -3.8670054950
H             1.0239055850        0.7308788241       -3.1385520150
H            -0.1305813398        1.6035369220       -3.6834184910
O            -0.6115034697        3.0940937070        2.3606563620
H            -1.4742591350        2.8318490570        1.9941941710
H            -0.1696808313        2.2456677650        2.5754784730
O             0.1790161766        3.0315053000       -1.8136318030
H             0.9258829439        2.4229529740       -1.8688880610
H             0.3612632293        3.5635657740       -1.0172563150
O             0.9494833661        4.0916733600        0.5548427550
H             0.3366709174        3.7165211310        1.2580203780
H             1.1065820670        5.0031789320        0.7994102670
O            -3.1889016250       -0.3633817888        2.0956053630
H            -2.4726083160       -0.6955137573        2.6798694330
H            -3.2552570920       -1.0015843570        1.3670502270
O            -1.8722209120        1.4411441080       -1.1238258990
H            -1.2321069790        2.1212677320       -1.4243530560
H            -2.3090505320        1.7913584410       -0.3236120309
O            -1.0682231450       -1.2569858010        3.4977285940
H            -0.4904921374       -0.4869277507        3.3495477880
H            -0.5651008847       -2.0079317660        3.1521745440
O             0.6678976186       -3.1081593320        2.2773352860
H             1.4713469680       -2.6304649080        1.9401265860
H             0.9843783090       -3.9371897570        2.6354910450
O            -0.6673754744       -2.6745035970       -0.0110072397
H            -1.6370904070       -2.6320073710        0.0753190872
H            -0.2984650518       -2.9419434370        0.8521643409
O             2.9372970760       -1.7858692860       -1.5031152670
H             2.1232981610       -2.2741688070       -1.8158545420
H             3.6870011610       -2.2563407070       -1.8667166950
O             1.8995700090        0.6940118402       -1.6241143960
H             2.4675267490       -0.0940808241       -1.6929325200
H             1.1894218270        0.4018608608       -0.9916483046
O            -0.9394764576       -1.4757953480       -3.7822875090
H            -1.1238578730       -1.7390649870       -4.6841176470
H            -0.4617176840       -0.6086775021       -3.8365386980
O            -3.3176865540       -2.1689827780       -0.0184785067
H            -3.2775543490       -1.6270934660       -0.8564306022
H            -4.0880970430       -2.7310356730       -0.0960452048
O             3.2639108110        0.6488233674        2.1780009040
H             3.9919855950        0.8961760868        2.7469177300
H             3.2454275600        1.3117131650        1.4339750090
O            -2.9259308520        2.0827246260        1.2684957230
H            -3.7750573990        2.4854640770        1.4490761170
H            -2.9924531220        1.1443476550        1.6173102940
O             2.8077101560       -1.9358077910        1.2813377640
H             2.9866076620       -1.0421401070        1.6176919660
H             2.8269693090       -1.8697200660        0.3110883815
O            -0.0110047746       -0.0916621514       -0.0113664668
H            -0.7823856950        0.3900503787       -0.3882849190
H            -0.2261567131       -1.0507762940       -0.0513155262
O             0.7743077237       -3.0296370060       -2.2773295310
H             0.2100462025       -2.5164386330       -2.8817524840
H             0.2625327570       -3.0718115370       -1.4500195360
O             3.0773063890        2.3650766010        0.2105913243
H             2.3674779250        3.0110583680        0.3800223667
H             2.7609216870        1.8086288580       -0.5249719982
O             0.5561271633        0.6853613825        2.5047134480
H             1.5247340350        0.6570081406        2.5625457420
H             0.3442830709        0.3994774137        1.5899537760
O            -3.0887228320       -0.7538423793       -2.2036356130
H            -2.7622701910        0.1072602703       -1.8902079550
H            -2.3711959160       -1.1131968080       -2.7545114370
    63
 Energy=    -106.840136223190
O             0.3722006816        0.8056284964       -3.8672346820
H             1.0238665470        0.7312333244       -3.1387080590
H            -0.1305523310        1.6038823190       -3.6837263300
O            -0.6113915822        3.0939982900        2.3605302590
H            -1.4742047590        2.8318273880        1.9941997960
H            -0.1696089732        2.2455245290        2.5753338730
O             0.1789364990        3.0314131510       -1.8134946150
H             0.9258710198        2.4229682140       -1.8687061680
H             0.3612057768        3.5636867320       -1.0172097740
O             0.9496254580        4.0917866390        0.5548758369
H             0.3368419511        3.7165538580        1.2580885740
H             1.1066077120        5.0033044410        0.7993765923
O            -3.1885721090       -0.3634108704        2.0956595070
H            -2.4724168920       -0.6955702178        2.6800741440
H            -3.2548045360       -1.0016126640        1.3670720790
O            -1.8723131740        1.4409450890       -1.1236145350
H            -1.2322098360        2.1210318440       -1.4242331050
H            -2.3092042730        1.7912855570       -0.3235636978
O            -1.0680935870       -1.2570231170        3.4979930880
H            -0.4903384379       -0.4870087844        3.3497782740
H            -0.5650340707       -2.0080176420        3.1524368890
O             0.6676818208       -3.1082724510        2.2775034200
H             1.4710067080       -2.6304438150        1.9401833460
H             0.9843013696       -3.9372728620        2.6355998670
O            -0.6674655825       -2.6749452280       -0.0110929074
H            -1.6371772190       -2.6322675010        0.0751982156
H            -0.2986172836       -2.9422239420        0.8521611514
O             2.9371508530       -1.7857450710       -1.5030651650
H             2.1231772500       -2.2741629920       -1.8157751200
H             3.6868859170       -2.2566021510       -1.8661182860
O             1.8994431160        0.6940709393       -1.6241716700
H             2.4674279130       -0.0939872865       -1.6931124290
H             1.1894118120        0.4018735843       -0.9916523603
O            -0.9392661661       -1.4756225480       -3.7822969080
H            -1.1235736210       -1.7389500100       -4.6841427590
H            -0.4613904691       -0.6085661781       -3.8365679580
O            -3.3176765770       -2.1689030680       -0.0185416222
H            -3.2775167150       -1.6271441270       -0.8565442867
H            -4.0884189760       -2.7305246720       -0.0957889944
O             3.2640079790        0.6490032776        2.1778264420
H             3.9919780560        0.8963326479        2.7468552700
H             3.2455824980        1.3118970320        1.4338576160
O            -2.9259787870        2.0827949620        1.2685840310
H            -3.7751301830        2.4854338420        1.4492178270
H            -2.9923833630        1.1443868790        1.6173356700
O             2.8071782250       -1.9355537290        1.2812829370
H             2.9863469410       -1.0419552110        1.6176402810
H             2.8265437980       -1.8694786410        0.3110391655
O            -0.0109655790       -0.0919555827       -0.0114451618
H            -0.7823385137        0.3898675692       -0.3883147936
H            -0.2262407282       -1.0510485460       -0.0512463663
O             0.7743561167       -3.0297505270       -2.2773109910
H             0.2100936562       -2.5165483270       -2.8817073440
H             0.2625453472       -3.0719290570       -1.4500240520
O             3.0773830710        2.3651516550        0.2104598116
H             2.3675993770        3.0113215330        0.3798260359
H             2.7609661410        1.8087134920       -0.5251162815
O             0.5561090656        0.6853157804        2.5046227050
H             1.5247199370        0.6570336644        2.5624374320
H             0.3442594526        0.3991075076        1.5899618740
O            -3.0886547010       -0.7539845100       -2.2038929280
H            -2.7623128970        0.1071242734       -1.8903922230
H            -2.3709490410       -1.1132595800       -2.7546909590
    63
 Energy=    -106.840136292300
O             0.3721885393        0.8060424805       -3.8674482470
H             1.0237602800        0.7316287064       -3.1387928470
H            -0.1304470020        1.6044000380       -3.6840885700
O            -0.6112391311        3.0939255350        2.3604223350
H            -1.4741867450        2.8318289660        1.9942605430
H            -0.1695337757        2.2453641470        2.5751648190
O             0.1789069971        3.0314526740       -1.8133777280
H             0.9259727369        2.4231799660       -1.8686815510
H             0.3611778759        3.5637958130       -1.0172049480
O             0.9497431676        4.0918991080        0.5549191997
H             0.3370105706        3.7166390970        1.2581678650
H             1.1066405570        5.0034977500        0.7993492765
O            -3.1882985570       -0.3635033893        2.0957580290
H            -2.4723097320       -0.6956179613        2.6803636310
H            -3.2543471530       -1.0016560270        1.3671474780
O            -1.8723240420        1.4407547080       -1.1234257970
H            -1.2323010050        2.1208233620       -1.4241047480
H            -2.3093774470        1.7912980200       -0.3234756883
O            -1.0679365510       -1.2571031320        3.4983066130
H            -0.4902084775       -0.4870975094        3.3499770460
H            -0.5649505279       -2.0081273650        3.1527440320
O             0.6674240902       -3.1084035560        2.2776673220
H             1.4706591570       -2.6304595470        1.9403050910
H             0.9841669709       -3.9373776640        2.6357397380
O            -0.6675745977       -2.6754257450       -0.0111576220
H            -1.6372759020       -2.6325648270        0.0750507280
H            -0.2988187844       -2.9425512650        0.8521657938
O             2.9370232070       -1.7857078810       -1.5029777570
H             2.1230735770       -2.2741627010       -1.8156608710
H             3.6867985070       -2.2568766850       -1.8655356620
O             1.8993588490        0.6940716877       -1.6242577960
H             2.4672777470       -0.0940033235       -1.6933170660
H             1.1894214340        0.4018548193       -0.9916220875
O            -0.9390383189       -1.4754864610       -3.7823854300
H            -1.1232291180       -1.7388471090       -4.6842356980
H            -0.4611135018       -0.6084654969       -3.8365778390
O            -3.3176675830       -2.1688245070       -0.0185829468
H            -3.2774704710       -1.6272093640       -0.8566699726
H            -4.0887431790       -2.7300503990       -0.0955304274
O             3.2641328430        0.6491924841        2.1776342530
H             3.9920270890        0.8965100265        2.7468027620
H             3.2458030400        1.3121756380        1.4337151150
O            -2.9260278730        2.0828590170        1.2687354500
H            -3.7752530140        2.4853827490        1.4493958000
H            -2.9923282290        1.1444126110        1.6173617810
O             2.8066805350       -1.9353294180        1.2812614220
H             2.9861462780       -1.0417901290        1.6175747360
H             2.8261872890       -1.8692741430        0.3110260328
O            -0.0109762942       -0.0922723394       -0.0115028419
H            -0.7822610314        0.3896965647       -0.3883382270
H            -0.2263896201       -1.0513201190       -0.0511614096
O             0.7744098042       -3.0298905690       -2.2772845540
H             0.2101721803       -2.5167567450       -2.8817715170
H             0.2625657479       -3.0719798120       -1.4500055870
O             3.0773845050        2.3653185280        0.2102837759
H             2.3677331310        3.0115521360        0.3795373562
H             2.7609779970        1.8088056360       -0.5252246310
O             0.5560822331        0.6852555002        2.5044954080
H             1.5246746690        0.6570865632        2.5622986690
H             0.3442011370        0.3986972238        1.5899840420
O            -3.0885783020       -0.7541550689       -2.2042394510
H            -2.7623311910        0.1069633738       -1.8906149480
H            -2.3707344850       -1.1133170660       -2.7548522000
    63
 Energy=    -106.840136335680
O             0.3720499436        0.8062731808       -3.8674944650
H             1.0235221900        0.7318750439       -3.1387998020
H            -0.1304857354        1.6047448190       -3.6843002520
O            -0.6111706590        3.0938412140        2.3604009570
H            -1.4741517320        2.8318444640        1.9943231140
H            -0.1695252220        2.2452796330        2.5750460450
O             0.1789345257        3.0315397020       -1.8133066920
H             0.9261479664        2.4234782310       -1.8687312650
H             0.3612291793        3.5639503850       -1.0171784170
O             0.9498030368        4.0920164970        0.5550084787
H             0.3371298815        3.7167652100        1.2582041750
H             1.1066577040        5.0035775250        0.7993700042
O            -3.1881940740       -0.3635966343        2.0958592600
H            -2.4722905120       -0.6956521528        2.6805827500
H            -3.2540758830       -1.0017127240        1.3672103310
O            -1.8722838570        1.4406770690       -1.1233219690
H            -1.2322506870        2.1208440030       -1.4240242030
H            -2.3093751090        1.7913478330       -0.3234996322
O            -1.0678442630       -1.2571759470        3.4985430120
H            -0.4901559714       -0.4871477339        3.3500654520
H            -0.5648883320       -2.0082263480        3.1529611960
O             0.6672466976       -3.1085023580        2.2777484140
H             1.4704538110       -2.6305077410        1.9404395990
H             0.9840361857       -3.9374455810        2.6358412910
O            -0.6676608102       -2.6756737390       -0.0111725682
H            -1.6373529750       -2.6327641140        0.0749478647
H            -0.2989724077       -2.9427730900        0.8521775042
O             2.9369651680       -1.7857745530       -1.5028761680
H             2.1230191910       -2.2741859650       -1.8155747640
H             3.6867790660       -2.2569996430       -1.8651972630
O             1.8992724960        0.6940722804       -1.6243263350
H             2.4670971860       -0.0940593541       -1.6934817770
H             1.1894048310        0.4018324201       -0.9915756387
O            -0.9388199521       -1.4755171890       -3.7825231410
H            -1.1229679360       -1.7388455840       -4.6843742980
H            -0.4609979164       -0.6084506555       -3.8365770660
O            -3.3176821860       -2.1687747340       -0.0185764822
H            -3.2774097870       -1.6272250350       -0.8567632672
H            -4.0889359170       -2.7297858310       -0.0954219696
O             3.2642361980        0.6493220632        2.1775285370
H             3.9921024160        0.8966247996        2.7467304600
H             3.2459538900        1.3123797280        1.4335903590
O            -2.9260565150        2.0828859410        1.2688308900
H            -3.7753140100        2.4853077240        1.4494855330
H            -2.9922849370        1.1443989290        1.6173330100
O             2.8064327400       -1.9352393750        1.2812896620
H             2.9860629720       -1.0416874240        1.6175280830
H             2.8260361100       -1.8691770180        0.3110316827
O            -0.0110151954       -0.0924633070       -0.0114599285
H            -0.7821932918        0.3896164886       -0.3883340866
H            -0.2265226344       -1.0514884650       -0.0511049111
O             0.7744209432       -3.0299962080       -2.2772730940
H             0.2102448573       -2.5169888200       -2.8819103660
H             0.2625739270       -3.0719794970       -1.4499638880
O             3.0774145500        2.3654657710        0.2101098157
H             2.3677332110        3.0117068390        0.3793078545
H             2.7609003250        1.8088473540       -0.5252885252
O             0.5560542233        0.6851918047        2.5044307700
H             1.5246607260        0.6571487444        2.5621796960
H             0.3441418089        0.3984258442        1.5899953860
O            -3.0884992420       -0.7542108798       -2.2044359870
H            -2.7622514240        0.1068528537       -1.8907683510
H            -2.3705776790       -1.1133490910       -2.7549551320
    63
 Energy=    -106.840136464040
O             0.3719199618        0.8066968803       -3.8675640330
H             1.0233524240        0.7322824405       -3.1387992830
H            -0.1303143733        1.6054409530       -3.6847494550
O            -0.6110940153        3.0937708260        2.3604085500
H            -1.4740801100        2.8318843730        1.9941981610
H            -0.1694217597        2.2451176550        2.5746388880
O             0.1785597854        3.0319023790       -1.8130681320
H             0.9259048934        2.4239731570       -1.8688388590
H             0.3611079162        3.5642575880       -1.0169006990
O             0.9500575973        4.0920822680        0.5550626311
H             0.3372756049        3.7168817080        1.2581938420
H             1.1067573250        5.0037221020        0.7993126561
O            -3.1878790010       -0.3637067697        2.0960340410
H            -2.4720864660       -0.6957606339        2.6808825700
H            -3.2534188340       -1.0016504080        1.3672134880
O            -1.8722745210        1.4404809650       -1.1231830370
H            -1.2323311400        2.1206402010       -1.4239161790
H            -2.3093356230        1.7911309770       -0.3233211762
O            -1.0676623890       -1.2572242630        3.4992825310
H            -0.4900254185       -0.4872394520        3.3502486920
H            -0.5649390775       -2.0083579870        3.1535581230
O             0.6667843290       -3.1088601310        2.2778468660
H             1.4699073040       -2.6305789990        1.9407732950
H             0.9838185249       -3.9376568280        2.6360538120
O            -0.6677808755       -2.6758789990       -0.0111229054
H            -1.6374895260       -2.6330424360        0.0747380891
H            -0.2992968018       -2.9432820950        0.8522408395
O             2.9369003730       -1.7860215070       -1.5024874700
H             2.1230116860       -2.2744231790       -1.8155009500
H             3.6869328120       -2.2573479990       -1.8642021500
O             1.8991346980        0.6941979379       -1.6243873350
H             2.4667825320       -0.0940460836       -1.6937880540
H             1.1893442290        0.4019416707       -0.9916520273
O            -0.9380306061       -1.4755189070       -3.7826665260
H            -1.1222352600       -1.7386713200       -4.6845391520
H            -0.4608328924       -0.6080930578       -3.8366305210
O            -3.3177756910       -2.1685505070       -0.0186267806
H            -3.2772237670       -1.6272386420       -0.8569390689
H            -4.0894303380       -2.7290674000       -0.0952228649
O             3.2643728840        0.6496412246        2.1774218880
H             3.9922251950        0.8969609105        2.7465869230
H             3.2459737390        1.3126036350        1.4334668760
O            -2.9261074240        2.0828867170        1.2689936840
H            -3.7753401090        2.4851799270        1.4498877930
H            -2.9921180910        1.1443341520        1.6173972640
O             2.8058159800       -1.9348345150        1.2811600560
H             2.9855470920       -1.0413396620        1.6173270630
H             2.8255925410       -1.8688539060        0.3109092938
O            -0.0110629594       -0.0930630084       -0.0112934825
H            -0.7821077160        0.3890675665       -0.3883647395
H            -0.2267989229       -1.0520872040       -0.0511946635
O             0.7743275213       -3.0302344210       -2.2773220330
H             0.2102833359       -2.5172879750       -2.8821572040
H             0.2624704539       -3.0721764260       -1.4500246480
O             3.0777189420        2.3659080140        0.2095909190
H             2.3680039560        3.0120276930        0.3789342823
H             2.7607565410        1.8090075890       -0.5253896628
O             0.5562787890        0.6847596426        2.5043399860
H             1.5249126740        0.6572862409        2.5616568360
H             0.3441009139        0.3979969731        1.5899584150
O            -3.0883415800       -0.7544062394       -2.2047370340
H            -2.7621743230        0.1066810372       -1.8909850080
H            -2.3704118380       -1.1134868430       -2.7552337380
    63
 Energy=    -106.840136507630
O             0.3719721837        0.8067946022       -3.8676635240
H             1.0233661900        0.7323895316       -3.1388913380
H            -0.1301866129        1.6056035340       -3.6849663590
O            -0.6110478285        3.0937484050        2.3603368180
H            -1.4740657650        2.8319184430        1.9941892210
H            -0.1693669432        2.2450813890        2.5745930720
O             0.1785538922        3.0318690310       -1.8129683610
H             0.9257816313        2.4238249720       -1.8686341020
H             0.3610335380        3.5642383440       -1.0168294540
O             0.9501207631        4.0921199280        0.5550963630
H             0.3373504188        3.7168701310        1.2582392290
H             1.1068140520        5.0037752870        0.7993190679
O            -3.1877057600       -0.3636728860        2.0960127660
H            -2.4719871250       -0.6957730740        2.6809383310
H            -3.2532425270       -1.0016159350        1.3671722360
O            -1.8723707280        1.4403321790       -1.1231265800
H            -1.2323972320        2.1204771940       -1.4238885270
H            -2.3093777220        1.7909923620       -0.3232417506
O            -1.0676446040       -1.2571835940        3.4994186250
H            -0.4899551315       -0.4872812207        3.3503416020
H            -0.5649727575       -2.0083737140        3.1537285160
O             0.6667050496       -3.1089416710        2.2779112370
H             1.4697235920       -2.6305523080        1.9407716280
H             0.9838030525       -3.9377323760        2.6360945580
O            -0.6678219404       -2.6760005230       -0.0111450356
H            -1.6375319160       -2.6330901450        0.0747170171
H            -0.2993667708       -2.9433805070        0.8522299514
O             2.9368259350       -1.7859326710       -1.5025005960
H             2.1230611700       -2.2744705830       -1.8155026570
H             3.6869299980       -2.2574114020       -1.8639377900
O             1.8990830980        0.6942578148       -1.6244053570
H             2.4667572330       -0.0939422338       -1.6938522250
H             1.1892860250        0.4019811239       -0.9916567228
O            -0.9379752725       -1.4754576400       -3.7826546330
H            -1.1220675290       -1.7386575600       -4.6845527210
H            -0.4607864672       -0.6080454104       -3.8366479370
O            -3.3177639160       -2.1685109980       -0.0186728086
H            -3.2772384370       -1.6272496930       -0.8569946754
H            -4.0895554870       -2.7288309970       -0.0951295486
O             3.2643727840        0.6497484665        2.1773967350
H             3.9922519870        0.8970708985        2.7465881620
H             3.2460216210        1.3126900450        1.4334505340
O            -2.9261060560        2.0828895260        1.2689999810
H            -3.7753512990        2.4851950100        1.4500278840
H            -2.9920691930        1.1443799420        1.6174818460
O             2.8055504080       -1.9346982480        1.2811071380
H             2.9853486650       -1.0411890020        1.6172824900
H             2.8253953430       -1.8687178440        0.3108383746
O            -0.0110551882       -0.0932075113       -0.0114130519
H            -0.7821355292        0.3889086920       -0.3883634196
H            -0.2267440055       -1.0522170710       -0.0512036227
O             0.7743747511       -3.0303072190       -2.2773450530
H             0.2102764435       -2.5173195400       -2.8820926560
H             0.2624444805       -3.0722485620       -1.4501015880
O             3.0777889580        2.3659421700        0.2095684768
H             2.3681524500        3.0121841170        0.3789469771
H             2.7608300660        1.8090709910       -0.5254336120
O             0.5563162902        0.6847265799        2.5042822400
H             1.5249730980        0.6572769157        2.5615514120
H             0.3441310282        0.3978650120        1.5899444180
O            -3.0883510910       -0.7544880772       -2.2048397600
H            -2.7622482960        0.1066058118       -1.8910571440
H            -2.3703959630       -1.1135706280       -2.7553548150
    63
 Energy=    -106.840136616730
O             0.3717851246        0.8070380845       -3.8677296730
H             1.0228667580        0.7326344209       -3.1386673700
H            -0.1299739156        1.6062300670       -3.6856234240
O            -0.6108658722        3.0936327310        2.3602866070
H            -1.4739174920        2.8319715910        1.9940688250
H            -0.1693407123        2.2448637690        2.5743859340
O             0.1783106612        3.0323028780       -1.8127317820
H             0.9254712649        2.4241377460       -1.8683680870
H             0.3608483064        3.5645291820       -1.0165214360
O             0.9502884784        4.0923587470        0.5552746856
H             0.3375397794        3.7170856110        1.2584206850
H             1.1069949970        5.0039886200        0.7996065347
O            -3.1874595810       -0.3637324328        2.0961678060
H            -2.4718196560       -0.6958508027        2.6811623880
H            -3.2529466210       -1.0015294170        1.3672134590
O            -1.8721052500        1.4401045120       -1.1231626950
H            -1.2322464880        2.1204524830       -1.4237782470
H            -2.3090226220        1.7904716960       -0.3231498972
O            -1.0676621420       -1.2569942420        3.5000588710
H            -0.4897731677       -0.4872879108        3.3505979740
H            -0.5653283021       -2.0085263230        3.1545999280
O             0.6662805677       -3.1092609050        2.2781032480
H             1.4692003590       -2.6307771850        1.9409167380
H             0.9836269403       -3.9379927930        2.6362332920
O            -0.6680967912       -2.6763392410       -0.0111738248
H            -1.6377867130       -2.6331437700        0.0747524696
H            -0.2997110513       -2.9436736890        0.8522257729
O             2.9368295620       -1.7860880970       -1.5024547550
H             2.1233346650       -2.2750010420       -1.8155771320
H             3.6873338110       -2.2574690880       -1.8631539030
O             1.8986756570        0.6942906801       -1.6243451870
H             2.4664182610       -0.0938447082       -1.6938728870
H             1.1888567290        0.4017825057       -0.9917154360
O            -0.9378606277       -1.4755200140       -3.7830913940
H            -1.1209673710       -1.7389121390       -4.6851202460
H            -0.4609621727       -0.6079332843       -3.8367271560
O            -3.3178582200       -2.1682312620       -0.0187611535
H            -3.2771819710       -1.6270297950       -0.8571514821
H            -4.0899076400       -2.7282524320       -0.0951599104
O             3.2644431810        0.6504070408        2.1772687650
H             3.9924648660        0.8976683857        2.7463139780
H             3.2461873090        1.3132752550        1.4332078370
O            -2.9259584230        2.0827277550        1.2692098520
H            -3.7750888960        2.4850463150        1.4506153380
H            -2.9918074050        1.1442399880        1.6178319690
O             2.8049107230       -1.9343213150        1.2812196960
H             2.9847045500       -1.0407749610        1.6171845070
H             2.8249591020       -1.8686307500        0.3109617774
O            -0.0111724143       -0.0935718266       -0.0115085648
H            -0.7825338999        0.3882984811       -0.3882765997
H            -0.2264468451       -1.0526814610       -0.0514220012
O             0.7743463671       -3.0307019390       -2.2774974190
H             0.2105724490       -2.5175988590       -2.8824331100
H             0.2623056638       -3.0725414330       -1.4503214600
O             3.0780255320        2.3661559530        0.2092804005
H             2.3686023150        3.0125261080        0.3788430208
H             2.7607260050        1.8093742150       -0.5256500700
O             0.5565178205        0.6845463050        2.5039009660
H             1.5251834930        0.6572954945        2.5610438240
H             0.3442553850        0.3975321235        1.5896285850
O            -3.0882356440       -0.7546052284       -2.2050180520
H            -2.7618971100        0.1063943361       -1.8912811800
H            -2.3704205660       -1.1137871330       -2.7556307170
    63
 Energy=    -106.840136686680
O             0.3716962817        0.8069634904       -3.8677053930
H             1.0226793810        0.7326552726       -3.1385411360
H            -0.1297965281        1.6064140220       -3.6860403530
O            -0.6105499872        3.0934662590        2.3602636000
H            -1.4736075570        2.8317877660        1.9940584820
H            -0.1690762390        2.2446872830        2.5743649640
O             0.1780158065        3.0322668550       -1.8123446410
H             0.9250838343        2.4240046970       -1.8678900470
H             0.3606739683        3.5646862200       -1.0162652210
O             0.9505934201        4.0926393950        0.5555507199
H             0.3378851667        3.7170860070        1.2585842150
H             1.1071665850        5.0042028370        0.8002031529
O            -3.1874686110       -0.3637810317        2.0963881450
H            -2.4716872060       -0.6958152395        2.6812612390
H            -3.2531114540       -1.0016088000        1.3674733100
O            -1.8721591500        1.4398036730       -1.1229963960
H            -1.2322771440        2.1201264490       -1.4236094070
H            -2.3091432000        1.7903254550       -0.3230400344
O            -1.0675752680       -1.2566954170        3.5004256470
H            -0.4895501528       -0.4871746235        3.3505696970
H            -0.5655259081       -2.0084419000        3.1550773280
O             0.6658441743       -3.1093443680        2.2782846410
H             1.4686493390       -2.6305971140        1.9411685760
H             0.9833780570       -3.9381192860        2.6361256900
O            -0.6681816050       -2.6767522860       -0.0112709308
H            -1.6378420230       -2.6331124610        0.0746288637
H            -0.2999194054       -2.9438730710        0.8522413787
O             2.9368965580       -1.7860752420       -1.5023790600
H             2.1235120690       -2.2749681940       -1.8158006330
H             3.6874845960       -2.2573253640       -1.8630690130
O             1.8984524040        0.6942681240       -1.6242171060
H             2.4663579250       -0.0937319073       -1.6936181270
H             1.1886323820        0.4016033708       -0.9916218864
O            -0.9377634804       -1.4757839670       -3.7835303310
H            -1.1200545760       -1.7394671930       -4.6856431580
H            -0.4612282943       -0.6080106567       -3.8369896220
O            -3.3179701940       -2.1679119420       -0.0187813357
H            -3.2773516370       -1.6267382140       -0.8571882096
H            -4.0899182080       -2.7280388700       -0.0951835416
O             3.2646483580        0.6508778313        2.1770278280
H             3.9925271140        0.8982526593        2.7461735450
H             3.2464682810        1.3136820420        1.4329162320
O            -2.9254526660        2.0825406880        1.2693805350
H            -3.7744186900        2.4851214960        1.4510575350
H            -2.9914783000        1.1440640000        1.6180130400
O             2.8041852910       -1.9339557020        1.2814791410
H             2.9842770770       -1.0404505690        1.6173758390
H             2.8243274090       -1.8683846720        0.3112221997
O            -0.0112321095       -0.0940862586       -0.0117179226
H            -0.7824982355        0.3879120350       -0.3884747194
H            -0.2265935161       -1.0531736380       -0.0516763226
O             0.7745017327       -3.0307897080       -2.2777692860
H             0.2106674220       -2.5175432870       -2.8825560020
H             0.2623781890       -3.0730293960       -1.4506762570
O             3.0781459310        2.3665550110        0.2089183173
H             2.3686482540        3.0128143280        0.3787002283
H             2.7606826640        1.8096079810       -0.5258172968
O             0.5564511601        0.6844135631        2.5036318030
H             1.5251015660        0.6573740881        2.5609909840
H             0.3443649787        0.3974202240        1.5893055510
O            -3.0882011300       -0.7545470741       -2.2052508750
H            -2.7615717740        0.1064070645       -1.8916362780
H            -2.3706620230       -1.1139451340       -2.7560524060
    63
 Energy=    -106.840136741550
O             0.3718931606        0.8068523359       -3.8676475760
H             1.0227062330        0.7324797910       -3.1383416380
H            -0.1296365968        1.6062812250       -3.6859781830
O            -0.6101196721        3.0934021700        2.3604886560
H            -1.4730916820        2.8316956840        1.9941069580
H            -0.1685714237        2.2445911340        2.5743864720
O             0.1777715088        3.0322228850       -1.8120661160
H             0.9247903161        2.4238923700       -1.8674863080
H             0.3604384860        3.5647487910       -1.0160741140
O             0.9506534900        4.0928383640        0.5556372337
H             0.3380907389        3.7171232400        1.2587192100
H             1.1074671830        5.0042623820        0.8006462858
O            -3.1876766350       -0.3638358637        2.0968387010
H            -2.4717928420       -0.6958379319        2.6816316670
H            -3.2532642040       -1.0016061200        1.3678797430
O            -1.8723191820        1.4395396690       -1.1229488410
H            -1.2325686210        2.1200368340       -1.4234444080
H            -2.3092141140        1.7897960490       -0.3228384339
O            -1.0676185620       -1.2564555110        3.5005197160
H            -0.4896028486       -0.4869618198        3.3504338580
H            -0.5656138923       -2.0082609510        3.1552408970
O             0.6652562361       -3.1092702300        2.2784623840
H             1.4679536860       -2.6302323420        1.9415692880
H             0.9829055417       -3.9381656810        2.6359288050
O            -0.6683105516       -2.6772843710       -0.0115856194
H            -1.6379779890       -2.6333642280        0.0743479518
H            -0.3001614651       -2.9441257510        0.8520770833
O             2.9369347320       -1.7859794020       -1.5022037780
H             2.1235240420       -2.2747662850       -1.8156793140
H             3.6874296870       -2.2570787420       -1.8632821410
O             1.8985526020        0.6941714702       -1.6240509450
H             2.4665882350       -0.0937658582       -1.6934913780
H             1.1887767110        0.4014135488       -0.9914763624
O            -0.9377543950       -1.4759151510       -3.7839001650
H            -1.1192574660       -1.7400024260       -4.6860583500
H            -0.4610509057       -0.6082386765       -3.8373149220
O            -3.3179334880       -2.1675827130       -0.0187948684
H            -3.2773712150       -1.6265004710       -0.8572544945
H            -4.0896725040       -2.7280072820       -0.0952980043
O             3.2647230780        0.6512583205        2.1768336390
H             3.9924719310        0.8988160218        2.7460602420
H             3.2464347580        1.3140060180        1.4326670920
O            -2.9249945610        2.0823776060        1.2696274970
H            -3.7737568750        2.4852725330        1.4516148020
H            -2.9912952810        1.1439067270        1.6182401540
O             2.8035512160       -1.9335206110        1.2817902780
H             2.9840315220       -1.0400484710        1.6175761980
H             2.8238856900       -1.8680801450        0.3115332130
O            -0.0114180986       -0.0944547209       -0.0118102417
H            -0.7827145906        0.3875764107       -0.3885228762
H            -0.2267380278       -1.0535376810       -0.0519268492
O             0.7746725981       -3.0305479740       -2.2781195190
H             0.2105472777       -2.5173181210       -2.8826501080
H             0.2626485307       -3.0732888970       -1.4509984100
O             3.0781537860        2.3668301640        0.2085980238
H             2.3687208110        3.0131748410        0.3783290316
H             2.7606360430        1.8097930430       -0.5260472463
O             0.5567438162        0.6842124411        2.5033692380
H             1.5254166010        0.6573976884        2.5604686030
H             0.3444764032        0.3970501904        1.5891525280
O            -3.0883437580       -0.7545727262       -2.2056017640
H            -2.7616082000        0.1063029658       -1.8918951790
H            -2.3708858990       -1.1139581580       -2.7564778110
    63
 Energy=    -106.840136752750
O             0.3719842773        0.8068164727       -3.8676316170
H             1.0228144980        0.7324321293       -3.1383532950
H            -0.1295884380        1.6062140380       -3.6859564010
O            -0.6100174974        3.0933722910        2.3605062310
H            -1.4730269260        2.8316864430        1.9941701750
H            -0.1684426975        2.2445606020        2.5744100470
O             0.1777576785        3.0321603710       -1.8120075280
H             0.9247473690        2.4238087590       -1.8674085600
H             0.3603847449        3.5647184960       -1.0160347770
O             0.9506818994        4.0928665310        0.5556695190
H             0.3381126302        3.7171407490        1.2587470540
H             1.1075521400        5.0042868120        0.8006475916
O            -3.1877225960       -0.3638308039        2.0969045020
H            -2.4718612590       -0.6958294593        2.6817353820
H            -3.2532415650       -1.0015734770        1.3679028670
O            -1.8723684860        1.4394672190       -1.1229232920
H            -1.2326524280        2.1199789130       -1.4234561970
H            -2.3092640470        1.7896789450       -0.3227922003
O            -1.0676534340       -1.2563816540        3.5005217100
H            -0.4895978474       -0.4869371875        3.3504682500
H            -0.5656656379       -2.0082082510        3.1552406980
O             0.6651661634       -3.1092368950        2.2784718810
H             1.4678397920       -2.6301820970        1.9415784170
H             0.9828147417       -3.9381499600        2.6358875420
O            -0.6683298158       -2.6774105910       -0.0116686293
H            -1.6380093960       -2.6334164770        0.0742442566
H            -0.3002000304       -2.9441990420        0.8520291372
O             2.9369113700       -1.7859480110       -1.5021751200
H             2.1235028750       -2.2746966390       -1.8156753250
H             3.6874291380       -2.2570236030       -1.8632603920
O             1.8985590230        0.6941874656       -1.6240255130
H             2.4666073460       -0.0937293117       -1.6934840870
H             1.1887786660        0.4013848292       -0.9914701648
O            -0.9377442824       -1.4759104820       -3.7839162810
H            -1.1191754340       -1.7400523940       -4.6860721540
H            -0.4610052187       -0.6082572834       -3.8373650440
O            -3.3179093090       -2.1675354240       -0.0188174856
H            -3.2773386960       -1.6265084240       -0.8573031188
H            -4.0896093620       -2.7279801830       -0.0953072801
O             3.2647658150        0.6512957510        2.1767530570
H             3.9924473400        0.8989520139        2.7460594810
H             3.2464335190        1.3141070530        1.4326627950
O            -2.9249640920        2.0823457410        1.2696814080
H            -3.7736652480        2.4853358680        1.4517381350
H            -2.9912655590        1.1438994480        1.6183728900
O             2.8033817790       -1.9334370740        1.2818095350
H             2.9839710220       -1.0399585620        1.6175907090
H             2.8238459270       -1.8680257770        0.3115391896
O            -0.0114295736       -0.0945193428       -0.0118533126
H            -0.7827454316        0.3874914411       -0.3885307085
H            -0.2267204539       -1.0536044790       -0.0519445960
O             0.7746962423       -3.0304808480       -2.2781173540
H             0.2105500129       -2.5172656190       -2.8826584180
H             0.2626443548       -3.0732669320       -1.4510185000
O             3.0781871550        2.3668665130        0.2085793334
H             2.3687583610        3.0132423110        0.3782866903
H             2.7606634350        1.8098298300       -0.5260682586
O             0.5568092200        0.6841987040        2.5033058320
H             1.5254941090        0.6573781719        2.5603683830
H             0.3444870774        0.3969535774        1.5891300250
O            -3.0883793920       -0.7546403188       -2.2056760020
H            -2.7617535930        0.1062863457       -1.8919538210
H            -2.3709208720       -1.1139896290       -2.7565778070
    63
 Energy=    -106.840136780210
O             0.3722843787        0.8066108273       -3.8675216520
H             1.0231384290        0.7322111570       -3.1382476280
H            -0.1295116393        1.6058175940       -3.6855861350
O            -0.6096015686        3.0932343020        2.3607080640
H            -1.4726955600        2.8315410400        1.9945587490
H            -0.1679589195        2.2443971650        2.5743549860
O             0.1775643011        3.0319061560       -1.8119022820
H             0.9246704767        2.4236967890       -1.8673176890
H             0.3602145612        3.5646294560       -1.0160487990
O             0.9506971503        4.0929740230        0.5555892739
H             0.3383110137        3.7172677040        1.2588251300
H             1.1078326670        5.0043479450        0.8005783989
O            -3.1881474930       -0.3639174888        2.0972486550
H            -2.4722579770       -0.6957886899        2.6821087000
H            -3.2533267470       -1.0014570970        1.3680532150
O            -1.8726147020        1.4392505980       -1.1228157720
H            -1.2328569680        2.1197101800       -1.4233689510
H            -2.3093058090        1.7894579150       -0.3225779442
O            -1.0678254590       -1.2560943810        3.5007196230
H            -0.4896266632       -0.4867738394        3.3505740070
H            -0.5661136361       -2.0079769240        3.1551726170
O             0.6647103146       -3.1091158590        2.2783035710
H             1.4673973740       -2.6300210120        1.9415082570
H             0.9823631641       -3.9379724080        2.6358568330
O            -0.6684183277       -2.6776558520       -0.0119432990
H            -1.6381125420       -2.6335586330        0.0738878185
H            -0.3003928465       -2.9444736960        0.8517932030
O             2.9369560250       -1.7858497870       -1.5020413390
H             2.1235299870       -2.2745930840       -1.8155638660
H             3.6874634240       -2.2567772660       -1.8632854280
O             1.8985775910        0.6941706371       -1.6238437910
H             2.4666434020       -0.0937541849       -1.6932221570
H             1.1886797950        0.4013260144       -0.9914498893
O            -0.9376946314       -1.4758772420       -3.7840503580
H            -1.1188991700       -1.7400722150       -4.6862485340
H            -0.4608564751       -0.6082697123       -3.8374325530
O            -3.3177223850       -2.1674374700       -0.0189194285
H            -3.2772355000       -1.6264913620       -0.8574667225
H            -4.0893292080       -2.7280200940       -0.0953675331
O             3.2649594870        0.6517196831        2.1765622470
H             3.9924506570        0.8995818931        2.7460209570
H             3.2466929930        1.3144877140        1.4324131140
O            -2.9246769500        2.0822452340        1.2701601960
H            -3.7732769400        2.4854744770        1.4521812500
H            -2.9912673490        1.1438134570        1.6188516920
O             2.8031412900       -1.9332546120        1.2819781070
H             2.9837792090       -1.0397556210        1.6176365310
H             2.8237766720       -1.8679969450        0.3117122637
O            -0.0115010685       -0.0948529626       -0.0120148288
H            -0.7828375798        0.3871383042       -0.3886642388
H            -0.2267483202       -1.0539485260       -0.0521416385
O             0.7747713027       -3.0302634140       -2.2781649300
H             0.2107126192       -2.5170597540       -2.8827986170
H             0.2625610379       -3.0730458590       -1.4511498420
O             3.0782617310        2.3671901130        0.2083659512
H             2.3686944380        3.0134030050        0.3781213800
H             2.7607132980        1.8099547350       -0.5261162820
O             0.5570071713        0.6839571582        2.5030816050
H             1.5257103570        0.6572511381        2.5600226500
H             0.3445851195        0.3967315984        1.5889179630
O            -3.0885138110       -0.7547870264       -2.2060090200
H            -2.7620871410        0.1061889194       -1.8922424350
H            -2.3709269490       -1.1140163160       -2.7568339450
    63
 Energy=    -106.840136782600
O             0.3722686713        0.8066035227       -3.8674942700
H             1.0231243740        0.7322030179       -3.1382300240
H            -0.1295579698        1.6057749350       -3.6855210720
O            -0.6095569040        3.0932170280        2.3607229410
H            -1.4726538830        2.8315386550        1.9945937950
H            -0.1679204281        2.2443748620        2.5743545650
O             0.1775444511        3.0318988170       -1.8119104650
H             0.9246821298        2.4237198690       -1.8673428680
H             0.3602017185        3.5646309280       -1.0160674490
O             0.9507014679        4.0929759580        0.5555788764
H             0.3383241380        3.7172692140        1.2588277220
H             1.1078353370        5.0043468850        0.8005739774
O            -3.1881810450       -0.3639299191        2.0972617960
H            -2.4722815930       -0.6957920738        2.6821327310
H            -3.2533506440       -1.0014787330        1.3680682180
O            -1.8726221130        1.4392418030       -1.1227925410
H            -1.2328535060        2.1196943380       -1.4233393690
H            -2.3092944900        1.7894559370       -0.3225436944
O            -1.0678569710       -1.2560783170        3.5007468000
H            -0.4896501633       -0.4867589225        3.3505842100
H            -0.5661692635       -2.0079665240        3.1551752040
O             0.6646713612       -3.1091102240        2.2782745950
H             1.4673666510       -2.6300093220        1.9414942590
H             0.9823238042       -3.9379428870        2.6358787190
O            -0.6684388038       -2.6776680780       -0.0119645893
H            -1.6381197720       -2.6335539580        0.0738766363
H            -0.3004066430       -2.9444782020        0.8517661927
O             2.9369596380       -1.7858550310       -1.5020040230
H             2.1235436240       -2.2746045940       -1.8155445850
H             3.6874800950       -2.2567649210       -1.8632858540
O             1.8985868350        0.6941684503       -1.6238293520
H             2.4666429270       -0.0937601930       -1.6931882120
H             1.1886698330        0.4013428743       -0.9914345741
O            -0.9376759749       -1.4758914560       -3.7840718510
H            -1.1188933130       -1.7400420410       -4.6862614200
H            -0.4608347159       -0.6082738258       -3.8374240730
O            -3.3177249020       -2.1674118480       -0.0189319051
H            -3.2772352130       -1.6264853240       -0.8574974849
H            -4.0893173470       -2.7280261210       -0.0953700222
O             3.2649933930        0.6517609353        2.1765445850
H             3.9924635510        0.8996355586        2.7460102760
H             3.2467260410        1.3145106010        1.4323800700
O            -2.9246594320        2.0822351400        1.2701941590
H            -3.7732482040        2.4854804430        1.4521999170
H            -2.9912701860        1.1437985660        1.6188680580
O             2.8031376980       -1.9332481380        1.2819989520
H             2.9837817510       -1.0397561750        1.6176407720
H             2.8237727460       -1.8680021020        0.3117269625
O            -0.0115252888       -0.0948631043       -0.0120264519
H            -0.7828685419        0.3871125300       -0.3886820989
H            -0.2267585789       -1.0539689120       -0.0521680599
O             0.7747857196       -3.0302609110       -2.2781759840
H             0.2107355512       -2.5170612210       -2.8828129050
H             0.2625688757       -3.0730459990       -1.4511711920
O             3.0782628660        2.3672180340        0.2083331917
H             2.3686872380        3.0134185940        0.3781047776
H             2.7607015500        1.8099778990       -0.5261442028
O             0.5570284246        0.6839260028        2.5030625150
H             1.5257211280        0.6572426867        2.5600077580
H             0.3446082866        0.3967041552        1.5889069520
O            -3.0884893270       -0.7547946791       -2.2060285800
H            -2.7620645520        0.1061869721       -1.8922713370
H            -2.3709110010       -1.1140238510       -2.7568501910
    63
 Energy=    -106.840136786380
O             0.3722835297        0.8065813642       -3.8674525530
H             1.0231804910        0.7321545620       -3.1382198440
H            -0.1295870132        1.6057073960       -3.6854010200
O            -0.6093855861        3.0931699990        2.3608133860
H            -1.4725103470        2.8315387050        1.9946881880
H            -0.1677864439        2.2442868810        2.5743440910
O             0.1774789045        3.0317913440       -1.8119348230
H             0.9246631896        2.4236745310       -1.8673742610
H             0.3601238678        3.5645533460       -1.0161114950
O             0.9507130455        4.0929753620        0.5555150473
H             0.3383778956        3.7172519570        1.2587906430
H             1.1078050070        5.0043502670        0.8005051450
O            -3.1882751740       -0.3639470331        2.0972740430
H            -2.4723949560       -0.6957951138        2.6821711750
H            -3.2534229580       -1.0015336150        1.3681076780
O            -1.8727496400        1.4392002370       -1.1227091160
H            -1.2328891510        2.1195763270       -1.4232126980
H            -2.3092933380        1.7893870270       -0.3223778066
O            -1.0679715780       -1.2560096000        3.5008267320
H            -0.4897623912       -0.4867157548        3.3506130730
H            -0.5663558420       -2.0079263210        3.1551881240
O             0.6645690793       -3.1090273850        2.2782280790
H             1.4672825260       -2.6299772320        1.9414220890
H             0.9822186983       -3.9378168860        2.6359471130
O            -0.6684882054       -2.6777498490       -0.0120716801
H            -1.6381713240       -2.6335058870        0.0738277029
H            -0.3004451673       -2.9444940250        0.8516610293
O             2.9370051630       -1.7858740230       -1.5018829310
H             2.1236194460       -2.2745996340       -1.8155161500
H             3.6875456630       -2.2567450150       -1.8632117180
O             1.8986153050        0.6941864021       -1.6237607470
H             2.4666661090       -0.0937459714       -1.6930637410
H             1.1886665100        0.4013874842       -0.9913912336
O            -0.9376018994       -1.4758920210       -3.7840761720
H            -1.1189889330       -1.7398879020       -4.6862729670
H            -0.4607513742       -0.6082691712       -3.8373765120
O            -3.3177469230       -2.1673266360       -0.0189600662
H            -3.2772795220       -1.6264844440       -0.8575808970
H            -4.0892762660       -2.7280330710       -0.0953558027
O             3.2651239680        0.6518373219        2.1764675530
H             3.9924744380        0.8998225407        2.7460354090
H             3.2468320750        1.3146006060        1.4323125430
O            -2.9246050680        2.0822350630        1.2703102990
H            -3.7731729760        2.4855233090        1.4523246080
H            -2.9913142160        1.1437893840        1.6189354790
O             2.8030428740       -1.9332156020        1.2820029350
H             2.9838425130       -1.0397560980        1.6176322480
H             2.8237642260       -1.8680023350        0.3117231118
O            -0.0115949724       -0.0949292320       -0.0120750181
H            -0.7829754584        0.3870254847       -0.3887017913
H            -0.2267700852       -1.0540366010       -0.0522493365
O             0.7748651343       -3.0302344230       -2.2782352180
H             0.2108095290       -2.5170411090       -2.8828581720
H             0.2626236368       -3.0730533720       -1.4512343210
O             3.0782773710        2.3672811310        0.2082689070
H             2.3687301100        3.0135193790        0.3780640266
H             2.7607142740        1.8100914190       -0.5262337083
O             0.5570947243        0.6838428992        2.5030011310
H             1.5257964270        0.6572062545        2.5599416820
H             0.3446909605        0.3965750300        1.5888569180
O            -3.0884952030       -0.7548234262       -2.2061408030
H            -2.7620461860        0.1061412992       -1.8923453400
H            -2.3708773910       -1.1140579240       -2.7569027630
    63
 Energy=    -106.840136788920
O             0.3722847726        0.8065824279       -3.8674529660
H             1.0231846420        0.7321637858       -3.1382319810
H            -0.1295555987        1.6057389010       -3.6854333320
O            -0.6094142038        3.0931728750        2.3607989940
H            -1.4725232710        2.8315420570        1.9946752840
H            -0.1677955124        2.2442906000        2.5743465510
O             0.1774866344        3.0317755760       -1.8119142110
H             0.9246504274        2.4236340520       -1.8673468870
H             0.3601261362        3.5645323730       -1.0160866940
O             0.9506948970        4.0929756150        0.5555157276
H             0.3383762045        3.7172356830        1.2587939260
H             1.1078034650        5.0043526950        0.8005084978
O            -3.1882690720       -0.3639339778        2.0972580540
H            -2.4723870530       -0.6957907011        2.6821487090
H            -3.2534193830       -1.0015054930        1.3680837050
O            -1.8727486270        1.4391988500       -1.1227225620
H            -1.2328997910        2.1195889510       -1.4232364240
H            -2.3093144850        1.7893782100       -0.3223967896
O            -1.0679675630       -1.2560250340        3.5008023630
H            -0.4897522769       -0.4867265788        3.3505975780
H            -0.5663257453       -2.0079253810        3.1551922040
O             0.6645895660       -3.1090163130        2.2782591270
H             1.4672969790       -2.6299692920        1.9414366230
H             0.9822335765       -3.9378187870        2.6359353680
O            -0.6684852651       -2.6777279650       -0.0120666345
H            -1.6381618000       -2.6334967100        0.0738180541
H            -0.3004384263       -2.9444904680        0.8516777822
O             2.9370108140       -1.7858541210       -1.5019259410
H             2.1236113570       -2.2745821100       -1.8155336310
H             3.6875449050       -2.2567392830       -1.8632019420
O             1.8985962060        0.6941848048       -1.6237846130
H             2.4666743250       -0.0937342905       -1.6930753080
H             1.1886748270        0.4013713587       -0.9913938551
O            -0.9376217001       -1.4759006690       -3.7840611810
H            -1.1190122430       -1.7399115260       -4.6862645120
H            -0.4607767372       -0.6082835350       -3.8373747490
O            -3.3177482050       -2.1673463710       -0.0189570417
H            -3.2773000080       -1.6264818040       -0.8575591646
H            -4.0892869290       -2.7280325540       -0.0953623458
O             3.2651105190        0.6518069335        2.1764787260
H             3.9924691690        0.8997928365        2.7460472530
H             3.2468149580        1.3145878640        1.4323490830
O            -2.9246062920        2.0822538470        1.2703104670
H            -3.7731838750        2.4855266340        1.4523155400
H            -2.9913069780        1.1438018360        1.6189205590
O             2.8030400930       -1.9332133460        1.2819842220
H             2.9838522560       -1.0397509750        1.6176288090
H             2.8237638300       -1.8679944320        0.3117113454
O            -0.0115686170       -0.0949157655       -0.0120768252
H            -0.7829501150        0.3870419103       -0.3886715958
H            -0.2267630077       -1.0540268220       -0.0522398757
O             0.7748715869       -3.0302442510       -2.2782208380
H             0.2108074589       -2.5170589010       -2.8828647940
H             0.2626364696       -3.0730609270       -1.4512333570
O             3.0782998300        2.3672891700        0.2082942351
H             2.3687495990        3.0135159190        0.3780699938
H             2.7607399270        1.8100804150       -0.5262080750
O             0.5570994501        0.6838522586        2.5030057320
H             1.5257983000        0.6572054793        2.5599431800
H             0.3446758252        0.3965880418        1.5888627040
O            -3.0885155660       -0.7548165557       -2.2061409540
H            -2.7620703930        0.1061360188       -1.8923233700
H            -2.3708891640       -1.1140654360       -2.7568984670
    63
 Energy=    -106.840136799630
O             0.3721339238        0.8065522634       -3.8672943590
H             1.0230838930        0.7321713516       -3.1381124090
H            -0.1297817747        1.6056385280       -3.6851880270
O            -0.6090833690        3.0929432150        2.3608857780
H            -1.4722557800        2.8313747180        1.9948564610
H            -0.1674638925        2.2440337400        2.5743068860
O             0.1774013178        3.0316161110       -1.8118525530
H             0.9245618482        2.4234602500       -1.8672607180
H             0.3600680668        3.5644089120       -1.0160543470
O             0.9506643348        4.0929984870        0.5554423921
H             0.3384768045        3.7171370180        1.2587741640
H             1.1075112030        5.0044367540        0.8003676490
O            -3.1885857450       -0.3639122346        2.0972395200
H            -2.4726924260       -0.6957992665        2.6821089470
H            -3.2537055700       -1.0014028860        1.3679927480
O            -1.8728310140        1.4391259040       -1.1225374490
H            -1.2330075220        2.1195183390       -1.4231020080
H            -2.3093786530        1.7893356180       -0.3222139508
O            -1.0682407360       -1.2559025130        3.5007822590
H            -0.4899442049       -0.4866582373        3.3506291320
H            -0.5666069054       -2.0078304170        3.1552144980
O             0.6643543076       -3.1087029160        2.2782391970
H             1.4670929850       -2.6296676240        1.9414843560
H             0.9819895897       -3.9374082890        2.6361500640
O            -0.6685808133       -2.6778302000       -0.0123061299
H            -1.6382530640       -2.6334658480        0.0735606734
H            -0.3005976494       -2.9444517080        0.8515008272
O             2.9371871310       -1.7857525530       -1.5018614240
H             2.1238584590       -2.2745226450       -1.8155684810
H             3.6878089980       -2.2567065070       -1.8628770290
O             1.8985480910        0.6941961907       -1.6236751590
H             2.4667047510       -0.0936613776       -1.6929634250
H             1.1886245630        0.4013087123       -0.9913170252
O            -0.9375862124       -1.4760459290       -3.7841027010
H            -1.1194263400       -1.7397276990       -4.6863074910
H            -0.4607533505       -0.6084136166       -3.8373459450
O            -3.3178946890       -2.1672579470       -0.0190485367
H            -3.2773988580       -1.6263962770       -0.8576553511
H            -4.0893704520       -2.7280261560       -0.0955485027
O             3.2653241350        0.6519171183        2.1762840600
H             3.9924660900        0.9001309048        2.7460232030
H             3.2469853220        1.3147122450        1.4321692400
O            -2.9244656210        2.0822835220        1.2705425950
H            -3.7729930290        2.4856640560        1.4525340420
H            -2.9913109260        1.1438143060        1.6190955580
O             2.8030655720       -1.9331993000        1.2820147290
H             2.9840392680       -1.0397698350        1.6176221870
H             2.8237762910       -1.8679861790        0.3117350728
O            -0.0115937522       -0.0950447989       -0.0120584518
H            -0.7829801165        0.3870055076       -0.3885285854
H            -0.2268131065       -1.0541470390       -0.0523841370
O             0.7751856100       -3.0303549050       -2.2783364380
H             0.2111399399       -2.5172737950       -2.8830684450
H             0.2628486971       -3.0732273730       -1.4514170040
O             3.0784435950        2.3675129000        0.2081715505
H             2.3688980840        3.0137529390        0.3779182478
H             2.7608403190        1.8102345130       -0.5262543903
O             0.5573338715        0.6835755227        2.5029681430
H             1.5260477580        0.6569767540        2.5597438470
H             0.3447776684        0.3963137198        1.5888620140
O            -3.0884241830       -0.7548243194       -2.2062339920
H            -2.7619763900        0.1061072725       -1.8923572280
H            -2.3707352380       -1.1141293980       -2.7568788630
    63
 Energy=    -106.840136802250
O             0.3720845449        0.8065753123       -3.8672630120
H             1.0230210470        0.7321546078       -3.1380781880
H            -0.1297943624        1.6056893330       -3.6851616470
O            -0.6089836191        3.0928259920        2.3608601720
H            -1.4721777850        2.8312509420        1.9948962140
H            -0.1673572127        2.2439201100        2.5743063740
O             0.1773396854        3.0316448380       -1.8118369360
H             0.9244568088        2.4234362570       -1.8672015790
H             0.3600344873        3.5644546410       -1.0160545720
O             0.9506468390        4.0930129230        0.5554193991
H             0.3385296665        3.7170960570        1.2587868750
H             1.1073405840        5.0044999600        0.8002648519
O            -3.1886735100       -0.3638958238        2.0972247220
H            -2.4727710740       -0.6957770970        2.6820851890
H            -3.2537747290       -1.0013844380        1.3679745110
O            -1.8728306160        1.4391321980       -1.1224750930
H            -1.2330345020        2.1195408080       -1.4230603970
H            -2.3093689280        1.7893415470       -0.3221458990
O            -1.0683305630       -1.2558570000        3.5007679050
H            -0.4900050168       -0.4866291295        3.3506462980
H            -0.5667287481       -2.0077749880        3.1551230920
O             0.6642954937       -3.1085796730        2.2782143990
H             1.4670539050       -2.6295835760        1.9414502850
H             0.9819165692       -3.9372392870        2.6362432360
O            -0.6686111840       -2.6778689130       -0.0123892494
H            -1.6382919270       -2.6335753500        0.0734594405
H            -0.3006393471       -2.9444708890        0.8514260391
O             2.9372590270       -1.7857821370       -1.5018306110
H             2.1239661550       -2.2745804820       -1.8155717270
H             3.6879123160       -2.2567236740       -1.8627914900
O             1.8985927790        0.6941938011       -1.6236540720
H             2.4667538420       -0.0936496438       -1.6930199500
H             1.1887003240        0.4012669219       -0.9912787685
O            -0.9375841226       -1.4760908560       -3.7840791270
H            -1.1195226840       -1.7397448430       -4.6862748800
H            -0.4607990220       -0.6084383655       -3.8373341690
O            -3.3178911780       -2.1673048300       -0.0190863869
H            -3.2773748380       -1.6263877620       -0.8576565783
H            -4.0894318500       -2.7279755600       -0.0956118030
O             3.2653743780        0.6519427469        2.1762203510
H             3.9924725470        0.9001914076        2.7460018840
H             3.2470172760        1.3147527440        1.4321176540
O            -2.9244641300        2.0823205610        1.2706150070
H            -3.7729544740        2.4857625450        1.4526401850
H            -2.9913864310        1.1438399070        1.6191216190
O             2.8030588130       -1.9331663980        1.2820727400
H             2.9840787910       -1.0397315870        1.6176518190
H             2.8238206990       -1.8679921580        0.3117938874
O            -0.0115968894       -0.0950896855       -0.0120581263
H            -0.7829590823        0.3869828204       -0.3885511860
H            -0.2268393356       -1.0541827770       -0.0524211810
O             0.7752638725       -3.0304002280       -2.2783847130
H             0.2112114809       -2.5173283710       -2.8831172740
H             0.2629141995       -3.0732696390       -1.4514746610
O             3.0784720300        2.3675350660        0.2081153566
H             2.3689308010        3.0137631070        0.3779166704
H             2.7608345650        1.8102582890       -0.5263014867
O             0.5574021474        0.6834916824        2.5029751730
H             1.5261158270        0.6569029112        2.5597441860
H             0.3448407948        0.3962092173        1.5888723180
O            -3.0883859990       -0.7548012162       -2.2062026080
H            -2.7619695260        0.1061350271       -1.8923056790
H            -2.3706685050       -1.1140903030       -2.7568253250
    63
 Energy=    -106.840136802710
O             0.3720751005        0.8065730490       -3.8672564530
H             1.0230163610        0.7321555498       -3.1380764790
H            -0.1298007663        1.6056865800       -3.6851525370
O            -0.6089738063        3.0928166170        2.3608652620
H            -1.4721677450        2.8312433560        1.9948975690
H            -0.1673486764        2.2439098210        2.5743047140
O             0.1773332620        3.0316476390       -1.8118346850
H             0.9244518325        2.4234376180       -1.8671995710
H             0.3600290171        3.5644577710       -1.0160512190
O             0.9506489140        4.0930130200        0.5554184189
H             0.3385334638        3.7170938210        1.2587854280
H             1.1073299580        5.0045028550        0.8002601949
O            -3.1886809750       -0.3638972707        2.0972220970
H            -2.4727759580       -0.6957723657        2.6820851650
H            -3.2537777490       -1.0013870960        1.3679721800
O            -1.8728323390        1.4391331530       -1.1224703950
H            -1.2330353750        2.1195416660       -1.4230549510
H            -2.3093668460        1.7893414040       -0.3221392354
O            -1.0683398770       -1.2558522370        3.5007672650
H            -0.4900130442       -0.4866263571        3.3506491890
H            -0.5667425045       -2.0077704470        3.1551166510
O             0.6642873613       -3.1085732020        2.2782071460
H             1.4670471580       -2.6295757850        1.9414460280
H             0.9819082019       -3.9372266890        2.6362516140
O            -0.6686124112       -2.6778749450       -0.0123971298
H            -1.6382917200       -2.6335798180        0.0734511934
H            -0.3006413268       -2.9444736950        0.8514196247
O             2.9372628940       -1.7857840550       -1.5018263910
H             2.1239716250       -2.2745829180       -1.8155703460
H             3.6879200620       -2.2567228240       -1.8627858610
O             1.8985902230        0.6941912943       -1.6236561640
H             2.4667572920       -0.0936489540       -1.6930189040
H             1.1887032060        0.4012652564       -0.9912750902
O            -0.9375832799       -1.4760958300       -3.7840770680
H            -1.1195253190       -1.7397482290       -4.6862717350
H            -0.4608007073       -0.6084425556       -3.8373318300
O            -3.3178940330       -2.1673044880       -0.0190891371
H            -3.2773708830       -1.6263873840       -0.8576597529
H            -4.0894366300       -2.7279734660       -0.0956143067
O             3.2653797350        0.6519485039        2.1762182440
H             3.9924768490        0.9001983173        2.7459991730
H             3.2470229670        1.3147560360        1.4321118800
O            -2.9244642030        2.0823216880        1.2706200180
H            -3.7729498730        2.4857724920        1.4526487550
H            -2.9913914540        1.1438394770        1.6191222290
O             2.8030592590       -1.9331620580        1.2820757330
H             2.9840783750       -1.0397272520        1.6176533090
H             2.8238208950       -1.8679900600        0.3117967146
O            -0.0115942848       -0.0950934354       -0.0120640077
H            -0.7829572309        0.3869808285       -0.3885525848
H            -0.2268398657       -1.0541868380       -0.0524254593
O             0.7752688789       -3.0304046540       -2.2783869000
H             0.2112187076       -2.5173325820       -2.8831205730
H             0.2629181140       -3.0732716450       -1.4514774540
O             3.0784738950        2.3675378630        0.2081109783
H             2.3689332720        3.0137647160        0.3779147650
H             2.7608363100        1.8102639460       -0.5263056620
O             0.5574093464        0.6834823462        2.5029749050
H             1.5261222480        0.6568982464        2.5597439560
H             0.3448476195        0.3962015824        1.5888725810
O            -3.0883825180       -0.7547987354       -2.2062040240
H            -2.7619668520        0.1061371380       -1.8923045510
H            -2.3706630500       -1.1140881790       -2.7568230440
    63
 Energy=    -106.840136803010
O             0.3720279994        0.8065582246       -3.8672350550
H             1.0229965580        0.7321574565       -3.1380792030
H            -0.1298307081        1.6056841360       -3.6851455670
O            -0.6089529855        3.0927853640        2.3608793640
H            -1.4721386310        2.8312140530        1.9948876160
H            -0.1673284443        2.2438732370        2.5743046410
O             0.1773228185        3.0316667480       -1.8118172860
H             0.9244362793        2.4234506800       -1.8671755950
H             0.3600124356        3.5644705610       -1.0160257470
O             0.9506541404        4.0930142920        0.5554226309
H             0.3385510872        3.7170824960        1.2587906200
H             1.1072828430        5.0045157740        0.8002526109
O            -3.1887010030       -0.3638985851        2.0971936360
H            -2.4727947250       -0.6957406649        2.6820738590
H            -3.2537747920       -1.0014076260        1.3679549510
O            -1.8728215200        1.4391410150       -1.1224494560
H            -1.2330370680        2.1195601610       -1.4230388210
H            -2.3093648310        1.7893486410       -0.3221235570
O            -1.0683780890       -1.2558388070        3.5007498470
H            -0.4900447062       -0.4866144134        3.3506643780
H            -0.5667903032       -2.0077550170        3.1550768920
O             0.6642658577       -3.1085496380        2.2781803610
H             1.4670264330       -2.6295496370        1.9414233410
H             0.9818846207       -3.9371818070        2.6362787450
O            -0.6686027313       -2.6778936850       -0.0124255914
H            -1.6382774880       -2.6335952900        0.0734197763
H            -0.3006340563       -2.9444935390        0.8513943327
O             2.9372750080       -1.7857865900       -1.5018203210
H             2.1239894990       -2.2745919890       -1.8155675140
H             3.6879394380       -2.2567218190       -1.8627710540
O             1.8985863070        0.6941835935       -1.6236694900
H             2.4667662140       -0.0936478408       -1.6930232070
H             1.1887105560        0.4012479062       -0.9912808730
O            -0.9375975902       -1.4761241340       -3.7840539470
H            -1.1195284990       -1.7397957090       -4.6862447730
H            -0.4608194551       -0.6084702858       -3.8373197630
O            -3.3179039630       -2.1673125490       -0.0190979034
H            -3.2773578840       -1.6263860700       -0.8576619076
H            -4.0894594770       -2.7279648460       -0.0956202299
O             3.2653938250        0.6519594865        2.1762256300
H             3.9925036600        0.9002050327        2.7459921290
H             3.2470361950        1.3147516040        1.4321060920
O            -2.9244753890        2.0823302420        1.2706190120
H            -3.7729349030        2.4858233600        1.4526829770
H            -2.9914217810        1.1438445770        1.6191112090
O             2.8030620050       -1.9331407170        1.2820745840
H             2.9840722740       -1.0397020870        1.6176536470
H             2.8238266350       -1.8679700280        0.3117965761
O            -0.0115753494       -0.0951058906       -0.0120792106
H            -0.7829354576        0.3869829424       -0.3885564577
H            -0.2268324126       -1.0541973330       -0.0524413292
O             0.7752907704       -3.0304136630       -2.2783823580
H             0.2112374265       -2.5173528260       -2.8831211430
H             0.2629324774       -3.0732803590       -1.4514767440
O             3.0784793420        2.3675361380        0.2081094178
H             2.3689464090        3.0137686610        0.3779154367
H             2.7608492140        1.8102831270       -0.5263239587
O             0.5574321255        0.6834513574        2.5029833430
H             1.5261449260        0.6568869190        2.5597511400
H             0.3448852976        0.3961789743        1.5888755190
O            -3.0883783700       -0.7547885468       -2.2062019940
H            -2.7619658870        0.1061448300       -1.8922919740
H            -2.3706510750       -1.1140720000       -2.7568128050
    63
 Energy=    -106.840136800470
O             0.7747172462        0.7786110804       -3.9682263033
H             1.2965119756        0.7298264850       -3.1328976670
H             1.0633218581        1.5566608205       -4.4439075347
O            -0.6011399499        3.0793666057        2.3695723329
H            -1.4875572006        2.8198897630        2.0625342011
H            -0.1599823114        2.2308665697        2.5859335775
O            -0.1949446109        3.1183852742       -1.8711940375
H             0.4346416434        2.4678324138       -2.1930978528
H             0.1914688323        3.4760371157       -1.0468990458
O             0.9080755432        3.9560339473        0.4601642849
H             0.3142586985        3.6200669589        1.1994495485
H             1.0149779319        4.8943342080        0.6149699899
O            -3.2207204120       -0.4147081664        2.1927585665
H            -2.4799993309       -0.7401309772        2.7497268794
H            -3.2717383672       -1.0204074783        1.4360599515
O            -2.0590472909        1.4289162591       -0.9815690891
H            -1.5200640711        2.1494771710       -1.3749285007
H            -2.4596561138        1.7768119365       -0.1626010805
O            -1.0366348444       -1.2699330369        3.5173163475
H            -0.4648254086       -0.5012387135        3.3392620432
H            -0.5423498036       -2.0258118647        3.1704395301
O             0.6693219957       -3.1286545733        2.2702436378
H             1.4878625066       -2.6553925251        1.9630079374
H             0.9616014229       -3.9804188075        2.5939296383
O            -0.6604613033       -2.5891610715       -0.0016438607
H            -1.6302240066       -2.5653326580        0.0934083201
H            -0.2819374932       -2.8751961847        0.8515781400
O             2.9236146339       -1.8715331572       -1.4512869628
H             2.0949252906       -2.3204346148       -1.7846695712
H             3.6597652138       -2.3588083331       -1.8204116775
O             1.9774950784        0.6505050532       -1.6093302985
H             2.4894081551       -0.1788351660       -1.6108145814
H             1.2141908700        0.4447519075       -1.0074158925
O            -0.9044199431       -1.3098361599       -3.7811903869
H            -1.1375761706       -1.5495134604       -4.6787754185
H            -0.3641401212       -0.4976317580       -3.8445806426
O            -3.3202130536       -2.1605577212        0.0157192444
H            -3.2917816314       -1.6247838246       -0.8268546995
H            -4.0787427929       -2.7392191826       -0.0567345397
O             3.2712442314        0.6435459365        2.1528399594
H             3.9787600612        0.9053026014        2.7409303267
H             3.2652602562        1.3030090432        1.4033793402
O            -2.9972523551        2.0690295062        1.4634513733
H            -3.8346136487        2.4670298944        1.7004105563
H            -3.0501533073        1.1182658027        1.7779930922
O             2.8376232956       -1.9685447593        1.3313401820
H             3.0061268459       -1.0642874803        1.6445352696
H             2.8468778857       -1.9241496562        0.3597309387
O            -0.0287303590        0.0052925812       -0.0435227862
H            -0.8289039367        0.4773746985       -0.3743800534
H            -0.2381868459       -0.9548017003       -0.0700963499
O             0.7187559088       -2.9971891834       -2.2857505873
H             0.1927171795       -2.4377500410       -2.8815936974
H             0.2072251196       -3.0128856784       -1.4558259403
O             3.1273876697        2.3544646549        0.1809537027
H             2.3900319383        2.9705768085        0.3429923600
H             2.8252782609        1.7888149328       -0.5548505524
O             0.5658645347        0.6729844697        2.4916271195
H             1.5356271573        0.6473842342        2.5358882324
H             0.3441707897        0.4284111222        1.5664005347
O            -3.1214223200       -0.7536800037       -2.1781623337
H            -2.8563873022        0.1142180045       -1.8217474821
H            -2.3687926243       -1.0424923217       -2.7200782521
    63
 Energy=    -106.840136798810
O             0.7842762664        1.2818752501       -3.5884425236
H             1.3398540959        0.9967280417       -2.8111944206
H             1.3933586072        1.5487409879       -4.2770513653
O            -0.5576482352        3.0887682368        2.1679562609
H            -1.4685522508        2.8222217902        1.9577070821
H            -0.1207819847        2.2593963207        2.4541708801
O            -0.6305853604        3.2189066661       -2.0924800533
H            -0.1336205657        2.6343916531       -2.6840854296
H            -0.0316930794        3.4463647395       -1.3558200193
O             0.8715724263        3.8206119819        0.1256970946
H             0.3022152433        3.5265027253        0.8979593036
H             0.9832627248        4.7652082314        0.2350143209
O            -3.2433196364       -0.4651070593        2.2415943437
H            -2.4884327865       -0.7759781290        2.7882197612
H            -3.2797947829       -1.0574426961        1.4741260261
O            -2.0589622651        1.3660287086       -0.8768824760
H            -1.6472476680        2.1274512208       -1.3519395935
H            -2.4704828529        1.7157263311       -0.0653267610
O            -1.0255100080       -1.2701681637        3.5378171716
H            -0.4624764107       -0.4950943962        3.3590308160
H            -0.5333591016       -2.0195899978        3.1732922548
O             0.6510825212       -3.1413859932        2.2736713308
H             1.4767012162       -2.6711851730        1.9814365118
H             0.9368720666       -3.9790522716        2.6373993204
O            -0.6654724408       -2.6223924715       -0.0134914111
H            -1.6340159880       -2.5929786631        0.0929722421
H            -0.2818863850       -2.9115671733        0.8360430911
O             2.9407667723       -2.0921075043       -1.4210247687
H             2.0851075486       -2.4642093610       -1.7790705843
H             3.6417085094       -2.6479465850       -1.7602566461
O             2.1143845611        0.4722039929       -1.5011910963
H             2.5570272125       -0.3931376595       -1.5480020625
H             1.3345723661        0.3176294734       -0.9053090795
O            -0.7292502282       -0.9665936760       -3.7090175266
H            -1.0129076533       -1.0529335235       -4.6197089984
H            -0.2542589363       -0.1114722582       -3.6417982312
O            -3.3210370552       -2.1861090115        0.0283017822
H            -3.2746488453       -1.6496177064       -0.8119538276
H            -4.0854572781       -2.7555462702       -0.0546217988
O             3.2743432431        0.6335089818        2.1556300528
H             3.9862371399        0.8826368071        2.7439122263
H             3.2742825614        1.2995163657        1.4114529683
O            -3.0347372944        2.0339390483        1.5458470872
H            -3.8671037089        2.4345390545        1.7950665391
H            -3.0850175743        1.0826151762        1.8551168856
O             2.8409468104       -1.9957356598        1.3710429518
H             3.0016884897       -1.0778413741        1.6475397237
H             2.8662904751       -2.0007743944        0.3995559742
O             0.0148933346       -0.0328547079       -0.0119444523
H            -0.7724407075        0.4685179844       -0.3341713216
H            -0.2254730171       -0.9845014230       -0.0482006538
O             0.6572410481       -2.9614033745       -2.3412349164
H             0.2057569888       -2.2950134473       -2.8842377946
H             0.1422767073       -2.9948485106       -1.5133650803
O             3.1754788559        2.3279659024        0.1661109083
H             2.3981249676        2.9141497702        0.2268741490
H             2.9427810061        1.6980483003       -0.5410418437
O             0.5727254668        0.6802425004        2.5121381234
H             1.5420926023        0.6554554603        2.5626344206
H             0.3600320472        0.4090066770        1.5915591958
O            -3.0622121446       -0.7610620215       -2.1520948055
H            -2.8386209831        0.0967537184       -1.7385668425
H            -2.2744355535       -0.9892438361       -2.6698549372
    63
 Energy=    -106.840136798450
O             0.7842729894        1.2818907437       -3.5884281733
H             1.3398488690        0.9967439766       -2.8111821590
H             1.3933538105        1.5487492304       -4.2770397104
O            -0.5576499952        3.0887697497        2.1679517305
H            -1.4685558749        2.8222238900        1.9576977092
H            -0.1207858421        2.2593971219        2.4541719317
O            -0.6305962325        3.2189256668       -2.0924963595
H            -0.1336363634        2.6344026246       -2.6840985211
H            -0.0317023456        3.4463765003       -1.3558345985
O             0.8715662536        3.8206000293        0.1256843297
H             0.3022134197        3.5265006713        0.8979519981
H             0.9832671999        4.7651955300        0.2350050889
O            -3.2433028933       -0.4651108719        2.2415805914
H            -2.4884179896       -0.7759705548        2.7882171120
H            -3.2797710431       -1.0574499156        1.4741269710
O            -2.0589664902        1.3660397300       -0.8769060172
H            -1.6472566521        2.1274641735       -1.3519628073
H            -2.4704828024        1.7157395357       -0.0653482859
O            -1.0255027806       -1.2701713869        3.5378298311
H            -0.4624766642       -0.4950937834        3.3590461362
H            -0.5333432756       -2.0195872817        3.1733014230
O             0.6510977658       -3.1413780058        2.2736753084
H             1.4767213005       -2.6711892440        1.9814380437
H             0.9368772712       -3.9790655016        2.6373607910
O            -0.6654686647       -2.6223849230       -0.0134850228
H            -1.6340099022       -2.5929782015        0.0929759477
H            -0.2818763763       -2.9115581073        0.8360576189
O             2.9407673128       -2.0921104549       -1.4210243165
H             2.0851065787       -2.4642112845       -1.7790672995
H             3.6417100550       -2.6479521397       -1.7602530428
O             2.1143772940        0.4721876159       -1.5011827079
H             2.5570171360       -0.3931543433       -1.5479845052
H             1.3345672861        0.3176256338       -0.9052967247
O            -0.7292504253       -0.9665880070       -3.7090174822
H            -1.0129113328       -1.0529188498       -4.6197096622
H            -0.2542672051       -0.1114602894       -3.6417917969
O            -3.3210312039       -2.1861087640        0.0283056893
H            -3.2746429260       -1.6496202959       -0.8119529000
H            -4.0854506907       -2.7555468831       -0.0546100126
O             3.2743434856        0.6334958039        2.1556352814
H             3.9862225807        0.8826368221        2.7439298602
H             3.2742901267        1.2995030667        1.4114578952
O            -3.0347380883        2.0339393881        1.5458294653
H            -3.8670963504        2.4345437548        1.7950672126
H            -3.0850156530        1.0826127529        1.8550948518
O             2.8409623021       -1.9957532790        1.3710373556
H             3.0017101061       -1.0778613774        1.6475446068
H             2.8662968902       -2.0007857533        0.3995525408
O             0.0148718174       -0.0328463439       -0.0119380101
H            -0.7724587318        0.4685290511       -0.3341777869
H            -0.2254973291       -0.9844921854       -0.0481892977
O             0.6572388297       -2.9613986074       -2.3412259759
H             0.2057620093       -2.2950037887       -2.8842313385
H             0.1422720881       -2.9948422619       -1.5133560076
O             3.1754788431        2.3279534161        0.1661199536
H             2.3981256531        2.9141377795        0.2268765394
H             2.9427842300        1.6980355038       -0.5410352532
O             0.5727256843        0.6802421387        2.5121438112
H             1.5420864103        0.6554478059        2.5626317430
H             0.3600199085        0.4090101252        1.5915660573
O            -3.0622140786       -0.7610698587       -2.1520994364
H            -2.8386332539        0.0967495350       -1.7385772692
H            -2.2744349518       -0.9892492222       -2.6698534684
    63
 Energy=    -106.840136795780
O             0.7842419666        1.2819591686       -3.5883580159
H             1.3398208436        0.9967912479       -2.8111181506
H             1.3933225518        1.5487645969       -4.2769910251
O            -0.5576584149        3.0887613199        2.1679348995
H            -1.4685569824        2.8222270805        1.9576565007
H            -0.1208115473        2.2593892514        2.4541837989
O            -0.6306318637        3.2190036772       -2.0925431216
H            -0.1336947131        2.6344584949       -2.6841436687
H            -0.0317361265        3.4464207120       -1.3558704678
O             0.8715557939        3.8205707277        0.1256633954
H             0.3022046229        3.5264757180        0.8979328507
H             0.9832110195        4.7651715100        0.2349736682
O            -3.2432428638       -0.4651089439        2.2415553075
H            -2.4883745297       -0.7759490762        2.7882226747
H            -3.2796947773       -1.0574720942        1.4741156020
O            -2.0589890809        1.3660834412       -0.8770095932
H            -1.6472779209        2.1275146041       -1.3520575752
H            -2.4704986124        1.7157669525       -0.0654425623
O            -1.0254765988       -1.2701596929        3.5378910044
H            -0.4624758711       -0.4950678999        3.3590952584
H            -0.5332884732       -2.0195643750        3.1733861832
O             0.6511468726       -3.1413618100        2.2736946070
H             1.4767915412       -2.6712188185        1.9814435848
H             0.9368923755       -3.9791246149        2.6372393660
O            -0.6654485647       -2.6223737880       -0.0134519019
H            -1.6339968857       -2.5929980554        0.0929929526
H            -0.2818371382       -2.9115152281        0.8360952567
O             2.9407755357       -2.0921584224       -1.4210193155
H             2.0851119421       -2.4642336379       -1.7790819764
H             3.6417215863       -2.6479953074       -1.7602431830
O             2.1143440862        0.4721431187       -1.5011410649
H             2.5569629894       -0.3932100341       -1.5479455567
H             1.3345313895        0.3175983371       -0.9052557594
O            -0.7292325562       -0.9665440229       -3.7090031903
H            -1.0129166408       -1.0528847415       -4.6196888579
H            -0.2542851756       -0.1113988628       -3.6417780871
O            -3.3210257350       -2.1861095474        0.0283187989
H            -3.2746175561       -1.6496402883       -0.8119501644
H            -4.0854453007       -2.7555434906       -0.0546006415
O             3.2743491330        0.6334580718        2.1556631688
H             3.9861791390        0.8826279555        2.7440012313
H             3.2742968281        1.2994659027        1.4114858476
O            -3.0347365683        2.0339479966        1.5457605872
H            -3.8670732462        2.4345603117        1.7950643215
H            -3.0849975593        1.0826182404        1.8550160338
O             2.8410524880       -1.9958195411        1.3710368759
H             3.0017775160       -1.0779305560        1.6475509586
H             2.8663355016       -2.0008102558        0.3995448572
O             0.0148081990       -0.0328167072       -0.0119316703
H            -0.7724985939        0.4685640918       -0.3342075426
H            -0.2255694714       -0.9844623658       -0.0481609570
O             0.6572200764       -2.9613704210       -2.3412153918
H             0.2057616871       -2.2949564740       -2.8842192008
H             0.1422623626       -2.9947957815       -1.5133415807
O             3.1755038324        2.3279038431        0.1661195715
H             2.3981549177        2.9140921359        0.2268695313
H             2.9427904847        1.6979688353       -0.5410199383
O             0.5727157527        0.6802393871        2.5121504369
H             1.5420802594        0.6554398089        2.5626302610
H             0.3599929850        0.4090050731        1.5915768442
O            -3.0622216212       -0.7610996769       -2.1521234287
H            -2.8386817817        0.0967343426       -1.7386090335
H            -2.2744124063       -0.9892738226       -2.6698341338
    63
 Energy=    -106.840136789310
O             0.7842253978        1.2819330968       -3.5883691409
H             1.3398056306        0.9967891011       -2.8111231804
H             1.3932906288        1.5487891049       -4.2769952742
O            -0.5576704796        3.0887828490        2.1679340728
H            -1.4685605532        2.8222431765        1.9576150582
H            -0.1208265978        2.2594135400        2.4541941297
O            -0.6306090472        3.2190067362       -2.0925531148
H            -0.1336600128        2.6344613169       -2.6841464845
H            -0.0317191550        3.4464262787       -1.3558797458
O             0.8715774117        3.8205856038        0.1256804610
H             0.3022042836        3.5264811521        0.8979307318
H             0.9832255119        4.7651908972        0.2349820806
O            -3.2431757786       -0.4650902610        2.2415346476
H            -2.4883310916       -0.7759476290        2.7882232048
H            -3.2796510473       -1.0574839367        1.4741185576
O            -2.0590273734        1.3661048291       -0.8770803693
H            -1.6472960384        2.1275413009       -1.3521057729
H            -2.4705234303        1.7157917957       -0.0655113370
O            -1.0254397858       -1.2701542440        3.5379269067
H            -0.4624499400       -0.4950586357        3.3591071170
H            -0.5332377212       -2.0195687362        3.1734609436
O             0.6512033646       -3.1413829681        2.2736932830
H             1.4768562399       -2.6712529234        1.9814424343
H             0.9369121588       -3.9792114009        2.6371188569
O            -0.6654280261       -2.6223362704       -0.0134048611
H            -1.6339765417       -2.5930022609        0.0930386016
H            -0.2818232187       -2.9114616507        0.8361463251
O             2.9407815641       -2.0921465468       -1.4210139182
H             2.0851313070       -2.4642414625       -1.7790758236
H             3.6417340483       -2.6479976183       -1.7602227155
O             2.1142908391        0.4721678378       -1.5011183764
H             2.5569289653       -0.3931720028       -1.5479354899
H             1.3344664797        0.3176096344       -0.9052442389
O            -0.7292477885       -0.9665500968       -3.7090371331
H            -1.0129253886       -1.0528947540       -4.6197231647
H            -0.2542914004       -0.1114054005       -3.6418210799
O            -3.3210182301       -2.1861289331        0.0283122772
H            -3.2746275144       -1.6496536018       -0.8119561808
H            -4.0854408645       -2.7555554523       -0.0545966237
O             3.2743207352        0.6334096679        2.1556895214
H             3.9861089176        0.8826148004        2.7440640903
H             3.2742792683        1.2994200193        1.4115159354
O            -3.0347390893        2.0339739934        1.5457229723
H            -3.8670495529        2.4345854576        1.7951091493
H            -3.0849782097        1.0826471120        1.8549788314
O             2.8411345567       -1.9958812389        1.3710296373
H             3.0018330114       -1.0779927613        1.6475748114
H             2.8663544516       -2.0008421527        0.3995392654
O             0.0147679432       -0.0327745342       -0.0119215059
H            -0.7725291951        0.4686100041       -0.3342273331
H            -0.2256091300       -0.9844212933       -0.0481323506
O             0.6572101504       -2.9613601013       -2.3412030816
H             0.2057332166       -2.2949746253       -2.8842223273
H             0.1422762428       -2.9947476263       -1.5133143003
O             3.1754913879        2.3278640433        0.1661426854
H             2.3981496967        2.9140638895        0.2269100852
H             2.9427667356        1.6979458939       -0.5410024473
O             0.5726928482        0.6802534266        2.5121531591
H             1.5420550060        0.6554357951        2.5626284593
H             0.3599640217        0.4090179759        1.5915797694
O            -3.0622416908       -0.7611349855       -2.1521348627
H            -2.8387108425        0.0967198086       -1.7386540514
H            -2.2744461878       -0.9892964315       -2.6698622957
    63
 Energy=    -106.840136785740
O             0.7841858211        1.2819837180       -3.5884023427
H             1.3397332678        0.9967726932       -2.8111537327
H             1.3932977531        1.5488126710       -4.2769970270
O            -0.5576992515        3.0887867940        2.1679413007
H            -1.4685756743        2.8222396700        1.9575717044
H            -0.1208641596        2.2594150027        2.4542009134
O            -0.6305565309        3.2190745480       -2.0925277928
H            -0.1335972166        2.6345441539       -2.6841247536
H            -0.0316911838        3.4464586688       -1.3558207650
O             0.8715874154        3.8206014400        0.1257262684
H             0.3022321115        3.5264765789        0.8979827047
H             0.9831947914        4.7652070162        0.2350479088
O            -3.2430584406       -0.4650470083        2.2415314209
H            -2.4882289632       -0.7759270670        2.7882278860
H            -3.2795764088       -1.0574458616        1.4741235341
O            -2.0590890869        1.3661148733       -0.8771854106
H            -1.6473222493        2.1275417411       -1.3521902088
H            -2.4706445876        1.7157943341       -0.0656440980
O            -1.0253541169       -1.2701178564        3.5380314492
H            -0.4623617175       -0.4950405036        3.3591212654
H            -0.5331584739       -2.0195684154        3.1736442116
O             0.6512563020       -3.1414287401        2.2737381421
H             1.4769288427       -2.6713299074        1.9814947120
H             0.9369315188       -3.9793182132        2.6370461992
O            -0.6654162982       -2.6222942311       -0.0133395462
H            -1.6339657223       -2.5930258634        0.0931067653
H            -0.2817722798       -2.9114033422        0.8362064737
O             2.9407701804       -2.0921490390       -1.4210254487
H             2.0851225820       -2.4642455624       -1.7790945185
H             3.6417275733       -2.6480320769       -1.7601496876
O             2.1142218726        0.4721674840       -1.5011628388
H             2.5568462320       -0.3931791872       -1.5479638262
H             1.3343943459        0.3176292042       -0.9052887964
O            -0.7292427470       -0.9665268248       -3.7090577914
H            -1.0128812847       -1.0528641121       -4.6197563652
H            -0.2542732801       -0.1113932988       -3.6418174716
O            -3.3210323161       -2.1861881473        0.0283051974
H            -3.2746054791       -1.6497247438       -0.8119623039
H            -4.0854820051       -2.7555830921       -0.0546251507
O             3.2742682283        0.6333695111        2.1557067213
H             3.9859962776        0.8826190705        2.7441347804
H             3.2742434223        1.2993685778        1.4115172825
O            -3.0347361003        2.0340132091        1.5456343143
H            -3.8670357928        2.4346013798        1.7950999855
H            -3.0848889107        1.0827030394        1.8549470781
O             2.8412083449       -1.9959512662        1.3710626246
H             3.0018958562       -1.0780629482        1.6475998153
H             2.8664551366       -2.0009026670        0.3995685412
O             0.0147007196       -0.0327263536       -0.0119570100
H            -0.7725985534        0.4686292796       -0.3342881586
H            -0.2256573556       -0.9843781345       -0.0481620070
O             0.6571675224       -2.9613339523       -2.3411994705
H             0.2056854954       -2.2949669739       -2.8842371747
H             0.1422399781       -2.9947053414       -1.5133030279
O             3.1754760758        2.3278060764        0.1661753189
H             2.3981741250        2.9140534202        0.2269250401
H             2.9427190916        1.6978960250       -0.5409731614
O             0.5726828783        0.6802694185        2.5121321023
H             1.5420486694        0.6554334705        2.5625898370
H             0.3599302992        0.4090611362        1.5915578456
O            -3.0622486803       -0.7611834071       -2.1521634382
H            -2.8387488779        0.0966876793       -1.7387140002
H            -2.2744478827       -0.9893301442       -2.6699025391
    63
 Energy=    -106.840136784560
O             0.7841876195        1.2819930498       -3.5884142640
H             1.3397259850        0.9967783070       -2.8111627706
H             1.3933089859        1.5488358875       -4.2769956639
O            -0.5577004517        3.0887898095        2.1679331347
H            -1.4685784393        2.8222435841        1.9575624086
H            -0.1208642107        2.2594205814        2.4541974632
O            -0.6305553377        3.2190709082       -2.0925297304
H            -0.1335917961        2.6345455404       -2.6841274919
H            -0.0316906035        3.4464580870       -1.3558237787
O             0.8715910241        3.8206004724        0.1257265542
H             0.3022303144        3.5264735154        0.8979801388
H             0.9832071378        4.7652056488        0.2350461610
O            -3.2430336661       -0.4650405227        2.2415287122
H            -2.4882050067       -0.7759231143        2.7882246168
H            -3.2795613058       -1.0574432960        1.4741248264
O            -2.0591057626        1.3661169470       -0.8771987993
H            -1.6473287285        2.1275423144       -1.3521989688
H            -2.4706601630        1.7158008331       -0.0656601243
O            -1.0253370722       -1.2701212628        3.5380433008
H            -0.4623439167       -0.4950458574        3.3591250415
H            -0.5331435930       -2.0195768360        3.1736623770
O             0.6512659894       -3.1414389360        2.2737476432
H             1.4769381976       -2.6713408329        1.9815013717
H             0.9369347636       -3.9793393129        2.6370364356
O            -0.6654115947       -2.6222838603       -0.0133322688
H            -1.6339594845       -2.5930236020        0.0931169094
H            -0.2817678789       -2.9113941779        0.8362134086
O             2.9407651923       -2.0921450361       -1.4210200927
H             2.0851190025       -2.4642399386       -1.7790939370
H             3.6417223162       -2.6480323099       -1.7601402428
O             2.1142184255        0.4721675558       -1.5011656157
H             2.5568370381       -0.3931831819       -1.5479646366
H             1.3343863430        0.3176359868       -0.9052961908
O            -0.7292407821       -0.9665256370       -3.7090652849
H            -1.0128756130       -1.0528489027       -4.6197664983
H            -0.2542721296       -0.1113926883       -3.6418143092
O            -3.3210380581       -2.1861963507        0.0283079084
H            -3.2746047879       -1.6497383080       -0.8119621937
H            -4.0854852679       -2.7555941679       -0.0546263282
O             3.2742610105        0.6333563460        2.1557083536
H             3.9859737593        0.8826204788        2.7441489282
H             3.2742349503        1.2993581092        1.4115214160
O            -3.0347371113        2.0340216688        1.5456268721
H            -3.8670363073        2.4346027960        1.7951038908
H            -3.0848748890        1.0827137992        1.8549441304
O             2.8412205605       -1.9959637955        1.3710673628
H             3.0019035173       -1.0780740812        1.6476075564
H             2.8664671314       -2.0009149191        0.3995743908
O             0.0146898903       -0.0327147271       -0.0119609173
H            -0.7726114070        0.4686388264       -0.3342910198
H            -0.2256638768       -0.9843676066       -0.0481613743
O             0.6571610073       -2.9613356280       -2.3411944706
H             0.2056806857       -2.2949723985       -2.8842367500
H             0.1422309530       -2.9947035502       -1.5132996891
O             3.1754665162        2.3277975660        0.1661860259
H             2.3981678539        2.9140520007        0.2269315280
H             2.9427140497        1.6978903813       -0.5409646030
O             0.5726789509        0.6802744124        2.5121327582
H             1.5420456015        0.6554295005        2.5625865738
H             0.3599207242        0.4090730316        1.5915582079
O            -3.0622552418       -0.7611879598       -2.1521694933
H            -2.8387533395        0.0966831550       -1.7387191236
H            -2.2744565749       -0.9893307015       -2.6699102975
    63
 Energy=    -106.840136777600
O             0.7842265952        1.2820436951       -3.5884396593
H             1.3397301087        0.9968404009       -2.8111637854
H             1.3933654851        1.5489629241       -4.2769795501
O            -0.5577052917        3.0888045880        2.1678860990
H            -1.4685817516        2.8222518627        1.9575184765
H            -0.1208603407        2.2594413287        2.4541640959
O            -0.6305815455        3.2190423905       -2.0925277869
H            -0.1336146612        2.6345458897       -2.6841510853
H            -0.0317052552        3.4464510653       -1.3558397610
O             0.8716165644        3.8205827057        0.1256915071
H             0.3022188369        3.5264821439        0.8979301783
H             0.9832338894        4.7651891874        0.2350103961
O            -3.2429447259       -0.4650115565        2.2415244383
H            -2.4881275426       -0.7759141141        2.7882205532
H            -3.2795198802       -1.0574370870        1.4741444710
O            -2.0591512031        1.3661269534       -0.8772388548
H            -1.6473475431        2.1275468403       -1.3522247299
H            -2.4707140856        1.7158342574       -0.0657138393
O            -1.0252840392       -1.2701343981        3.5380782795
H            -0.4622762037       -0.4950678254        3.3591480221
H            -0.5330905890       -2.0196090591        3.1737291474
O             0.6512860548       -3.1414731435        2.2737823764
H             1.4769622312       -2.6713790896        1.9815432686
H             0.9369513313       -3.9794025420        2.6370028083
O            -0.6653993858       -2.6222686933       -0.0132975110
H            -1.6339479511       -2.5930257588        0.0931512312
H            -0.2817423896       -2.9113762908        0.8362423577
O             2.9407470465       -2.0921590105       -1.4209861547
H             2.0851038891       -2.4642240236       -1.7790916948
H             3.6416990577       -2.6480620645       -1.7601041455
O             2.1142185519        0.4721540200       -1.5011811980
H             2.5568213008       -0.3932045002       -1.5479614713
H             1.3343814797        0.3176430889       -0.9053170360
O            -0.7292125727       -0.9665036987       -3.7091009298
H            -1.0128433543       -1.0527515295       -4.6198115489
H            -0.2542759859       -0.1113586035       -3.6417999886
O            -3.3210580314       -2.1862291423        0.0283132249
H            -3.2746257932       -1.6497783992       -0.8119573379
H            -4.0855005147       -2.7556353847       -0.0546333313
O             3.2742370802        0.6333032305        2.1557127953
H             3.9858981443        0.8826223212        2.7441961105
H             3.2742026124        1.2993180608        1.4115400953
O            -3.0347359823        2.0340463990        1.5456244934
H            -3.8670389632        2.4346027314        1.7951267595
H            -3.0848440451        1.0827368499        1.8549371243
O             2.8412659879       -1.9960098796        1.3710876343
H             3.0019214729       -1.0781139769        1.6476264073
H             2.8665086285       -2.0009585213        0.3995964708
O             0.0146551539       -0.0326702045       -0.0119567744
H            -0.7726561714        0.4686626983       -0.3342935301
H            -0.2256766825       -0.9843277680       -0.0481634996
O             0.6571372551       -2.9613463982       -2.3411806348
H             0.2056693882       -2.2949865019       -2.8842396668
H             0.1422069703       -2.9947009188       -1.5132854484
O             3.1754299783        2.3277757180        0.1662140267
H             2.3981351903        2.9140384872        0.2269350008
H             2.9426902671        1.6978716327       -0.5409400719
O             0.5726682442        0.6803045866        2.5121274494
H             1.5420354837        0.6554081515        2.5625725490
H             0.3598917551        0.4091159436        1.5915549907
O            -3.0622689525       -0.7612141176       -2.1521625970
H            -2.8387755584        0.0966677093       -1.7387248550
H            -2.2744979396       -0.9893260621       -2.6699548821
    63
 Energy=    -106.840136774580
O             0.7842650323        1.2821072713       -3.5884337854
H             1.3397744536        0.9968999551       -2.8111596593
H             1.3934116667        1.5490177688       -4.2769641123
O            -0.5576970887        3.0888360427        2.1678517938
H            -1.4685760418        2.8222662112        1.9575012502
H            -0.1208665123        2.2594779383        2.4541487532
O            -0.6306297222        3.2190455913       -2.0925449022
H            -0.1336818419        2.6345601586       -2.6842019736
H            -0.0317324401        3.4464306936       -1.3558639424
O             0.8716085565        3.8205475326        0.1256316707
H             0.3022043767        3.5264596360        0.8978672863
H             0.9832445317        4.7651480028        0.2349570704
O            -3.2428572113       -0.4649929566        2.2415198790
H            -2.4880385967       -0.7759103896        2.7882125581
H            -3.2794711827       -1.0574319353        1.4741512182
O            -2.0592028967        1.3661551920       -0.8772559174
H            -1.6473807693        2.1275627666       -1.3522604309
H            -2.4707562488        1.7158738621       -0.0657379321
O            -1.0252275497       -1.2701683262        3.5380940596
H            -0.4622202643       -0.4951048889        3.3591639547
H            -0.5330393661       -2.0196483180        3.1737586847
O             0.6513062172       -3.1415161500        2.2737928219
H             1.4769930550       -2.6714269909        1.9815785805
H             0.9369527919       -3.9794526315        2.6370100195
O            -0.6653866668       -2.6222485275       -0.0132808110
H            -1.6339323148       -2.5930168364        0.0931756705
H            -0.2817186541       -2.9113788119        0.8362484993
O             2.9407085160       -2.0921732378       -1.4209642127
H             2.0850593104       -2.4642269532       -1.7790721779
H             3.6416552599       -2.6480690560       -1.7600969941
O             2.1142072008        0.4721480381       -1.5011866822
H             2.5567989624       -0.3932189133       -1.5479617755
H             1.3343726945        0.3176608577       -0.9053169251
O            -0.7291944181       -0.9664541235       -3.7090992391
H            -1.0128227415       -1.0526845766       -4.6198108152
H            -0.2542612852       -0.1113155143       -3.6417697624
O            -3.3210620734       -2.1862507138        0.0283067329
H            -3.2746444359       -1.6497944505       -0.8119616155
H            -4.0854995532       -2.7556614627       -0.0546363435
O             3.2742131862        0.6332771105        2.1557431352
H             3.9858379518        0.8826134332        2.7442574678
H             3.2741840804        1.2992863745        1.4115628289
O            -3.0347256532        2.0340724749        1.5456257025
H            -3.8670500309        2.4345879058        1.7951297443
H            -3.0847992271        1.0827560652        1.8549205058
O             2.8412915951       -1.9960504614        1.3711233393
H             3.0019090329       -1.0781489382        1.6476555425
H             2.8665296168       -2.0009863482        0.3996280158
O             0.0146281571       -0.0326156500       -0.0119660975
H            -0.7727082983        0.4686857277       -0.3342989844
H            -0.2256721319       -0.9842789979       -0.0481542735
O             0.6571183161       -2.9613482795       -2.3411850685
H             0.2056550802       -2.2949853819       -2.8842402943
H             0.1421984573       -2.9946914088       -1.5132819349
O             3.1754279614        2.3277475142        0.1662249851
H             2.3981259938        2.9140064441        0.2269317836
H             2.9426868008        1.6978393164       -0.5409270911
O             0.5726548629        0.6803217256        2.5121242353
H             1.5420213999        0.6553940978        2.5625706289
H             0.3598729112        0.4091633481        1.5915422256
O            -3.0622590821       -0.7612471588       -2.1521637379
H            -2.8387969172        0.0966417278       -1.7387266866
H            -2.2744957095       -0.9893347934       -2.6699769893
    63
 Energy=    -106.840136768010
O             0.7842999706        1.2821724065       -3.5884435149
H             1.3398298755        0.9969640917       -2.8111868859
H             1.3934504475        1.5490773332       -4.2769734978
O            -0.5576930888        3.0888573819        2.1678248906
H            -1.4685744077        2.8222928701        1.9574849319
H            -0.1208588260        2.2595105690        2.4541454135
O            -0.6306504265        3.2190570623       -2.0925732990
H            -0.1337270952        2.6345724185       -2.6842470228
H            -0.0317348639        3.4463837843       -1.3558852657
O             0.8715909701        3.8205190344        0.1255880727
H             0.3021932755        3.5264284934        0.8978303267
H             0.9833273603        4.7651049497        0.2349422509
O            -3.2427284474       -0.4649778110        2.2414960849
H            -2.4879032869       -0.7758903626        2.7881860203
H            -3.2793862390       -1.0574412210        1.4741489789
O            -2.0592638442        1.3661931637       -0.8772902998
H            -1.6474148172        2.1275821113       -1.3523001538
H            -2.4707919145        1.7159343549       -0.0657656764
O            -1.0251530897       -1.2702205643        3.5381239523
H            -0.4621448322       -0.4951567612        3.3591851953
H            -0.5329809044       -2.0197065329        3.1737771979
O             0.6513382732       -3.1415563425        2.2738000992
H             1.4770311889       -2.6714617293        1.9816089426
H             0.9369629507       -3.9795044373        2.6370083363
O            -0.6653592183       -2.6222026691       -0.0132550214
H            -1.6339074832       -2.5929944453        0.0931973966
H            -0.2817027160       -2.9113531860        0.8362732292
O             2.9406678991       -2.0921571997       -1.4209484147
H             2.0850152904       -2.4642387972       -1.7790203858
H             3.6416106591       -2.6480460514       -1.7600965990
O             2.1141789728        0.4721680978       -1.5011794420
H             2.5567845344       -0.3931898298       -1.5479501636
H             1.3343359463        0.3176884276       -0.9053147638
O            -0.7292170155       -0.9664141323       -3.7091130204
H            -1.0128130985       -1.0526198874       -4.6198405902
H            -0.2542466452       -0.1113013173       -3.6417476402
O            -3.3210678241       -2.1862780265        0.0283055939
H            -3.2746798404       -1.6498067212       -0.8119538062
H            -4.0854911443       -2.7557105889       -0.0546209853
O             3.2741871414        0.6332428857        2.1557681679
H             3.9857579860        0.8826236175        2.7443328156
H             3.2741663834        1.2992377715        1.4115777827
O            -3.0347363770        2.0341172966        1.5456058031
H            -3.8670740535        2.4345919297        1.7951167124
H            -3.0847519615        1.0827921221        1.8548845633
O             2.8413166738       -1.9961037078        1.3711564407
H             3.0019252884       -1.0781993508        1.6477011603
H             2.8665245232       -2.0010280023        0.3996631798
O             0.0145818959       -0.0325477901       -0.0119859282
H            -0.7727717310        0.4687409212       -0.3342995666
H            -0.2256976609       -0.9842177710       -0.0481220182
O             0.6571126601       -2.9613854059       -2.3411707295
H             0.2056477374       -2.2950402603       -2.8842409008
H             0.1422041506       -2.9947007651       -1.5132598053
O             3.1753971311        2.3277093823        0.1662448302
H             2.3980838606        2.9139584548        0.2269661724
H             2.9426634833        1.6978205874       -0.5409285959
O             0.5726380251        0.6803221800        2.5121297060
H             1.5420071586        0.6553639218        2.5625619255
H             0.3598282193        0.4092135221        1.5915387196
O            -3.0622811842       -0.7612791449       -2.1521840494
H            -2.8388144695        0.0966074026       -1.7387505516
H            -2.2745303258       -0.9893601312       -2.6700168224
    63
 Energy=    -106.840136752590
O             0.7843297607        1.2820630884       -3.5886428563
H             1.3398551797        0.9969567827       -2.8113381336
H             1.3934085448        1.5488882014       -4.2772675422
O            -0.5576965611        3.0889681321        2.1679561431
H            -1.4685751232        2.8224505979        1.9575460172
H            -0.1209034188        2.2596011585        2.4542802519
O            -0.6305737327        3.2190878739       -2.0925751771
H            -0.1336141456        2.6346348572       -2.6842453533
H            -0.0317145125        3.4463470103       -1.3558231374
O             0.8716318926        3.8204250146        0.1256689347
H             0.3021617477        3.5264603345        0.8979015926
H             0.9835242915        4.7649863943        0.2350291165
O            -3.2423903744       -0.4649256668        2.2414106422
H            -2.4875748186       -0.7758769898        2.7880931972
H            -3.2791054604       -1.0574459249        1.4741119565
O            -2.0594426344        1.3662709814       -0.8773951901
H            -1.6475579718        2.1276437155       -1.3523868441
H            -2.4708851235        1.7160533262       -0.0658438684
O            -1.0249464931       -1.2703849633        3.5381409693
H            -0.4619668512       -0.4953046728        3.3591603973
H            -0.5327881595       -2.0198496766        3.1737223752
O             0.6514112862       -3.1417201239        2.2738061544
H             1.4771342281       -2.6716443223        1.9816470877
H             0.9370147994       -3.9796578242        2.6370454227
O            -0.6653046739       -2.6220251438       -0.0131859497
H            -1.6338628014       -2.5928900428        0.0932312140
H            -0.2816459139       -2.9112966687        0.8363019769
O             2.9405228328       -2.0920140160       -1.4208510304
H             2.0848980528       -2.4641692951       -1.7788960687
H             3.6415000820       -2.6477915444       -1.7601173711
O             2.1140795269        0.4723277931       -1.5012096649
H             2.5566301689       -0.3930587786       -1.5479418220
H             1.3341792137        0.3178820683       -0.9054095379
O            -0.7292090360       -0.9664689297       -3.7091406302
H            -1.0128023070       -1.0526478833       -4.6198675376
H            -0.2542326009       -0.1113612707       -3.6417949353
O            -3.3210118983       -2.1862768060        0.0283250408
H            -3.2746523066       -1.6498871015       -0.8119818290
H            -4.0853978247       -2.7557646434       -0.0545635550
O             3.2740903519        0.6331698946        2.1558426071
H             3.9855268897        0.8826603340        2.7445179716
H             3.2741554508        1.2991382964        1.4116194106
O            -3.0347142316        2.0342190742        1.5455214701
H            -3.8671052763        2.4345678301        1.7950516618
H            -3.0845914913        1.0828997749        1.8548138083
O             2.8413392330       -1.9962205316        1.3712341657
H             3.0019272750       -1.0783329819        1.6478453205
H             2.8664350633       -2.0010544047        0.3997350377
O             0.0144329314       -0.0323428759       -0.0120107441
H            -0.7729395875        0.4688626078       -0.3343937706
H            -0.2257913640       -0.9840261434       -0.0480806062
O             0.6570362959       -2.9614714617       -2.3411153650
H             0.2055748797       -2.2951486961       -2.8842252817
H             0.1421583416       -2.9946989197       -1.5131765572
O             3.1753788177        2.3275905606        0.1663486700
H             2.3980618457        2.9138368462        0.2271033568
H             2.9426435466        1.6977931258       -0.5409033367
O             0.5725434837        0.6803408729        2.5121135854
H             1.5419188374        0.6553431109        2.5624946892
H             0.3597059279        0.4093472653        1.5914909568
O            -3.0623197652       -0.7613567705       -2.1522930714
H            -2.8388557414        0.0965216108       -1.7388635787
H            -2.2745274779       -0.9894658597       -2.6700613772
    63
 Energy=    -106.840136742370
O             0.7843431501        1.2820743064       -3.5887534146
H             1.3398805380        0.9969542315       -2.8114699519
H             1.3934348034        1.5489423258       -4.2773472181
O            -0.5576857374        3.0890350864        2.1679914625
H            -1.4685623128        2.8225402273        1.9575518418
H            -0.1209457726        2.2596367726        2.4543160582
O            -0.6305655869        3.2190534618       -2.0926616559
H            -0.1335635022        2.6346033401       -2.6842957630
H            -0.0317636529        3.4463597992       -1.3558742462
O             0.8716281151        3.8203559915        0.1256495109
H             0.3021608935        3.5264655379        0.8979167460
H             0.9836878282        4.7649035123        0.2349854403
O            -3.2421306741       -0.4648926688        2.2413397965
H            -2.4873584831       -0.7758837570        2.7880593692
H            -3.2789110086       -1.0574537885        1.4740772057
O            -2.0595520989        1.3663074056       -0.8774531601
H            -1.6476759036        2.1276649380       -1.3524715543
H            -2.4709575591        1.7160668570       -0.0658691436
O            -1.0248115242       -1.2704979810        3.5381345007
H            -0.4618589045       -0.4953955985        3.3591650505
H            -0.5326634272       -2.0199433414        3.1736619575
O             0.6514445557       -3.1418445220        2.2737863088
H             1.4771692245       -2.6717590731        1.9816406500
H             0.9370433681       -3.9797537268        2.6370950677
O            -0.6652805604       -2.6219113409       -0.0131500521
H            -1.6338388743       -2.5928098908        0.0932561336
H            -0.2816329102       -2.9112406755        0.8363172016
O             2.9404234859       -2.0919664485       -1.4207698714
H             2.0848116185       -2.4641502495       -1.7788231848
H             3.6414392975       -2.6476385576       -1.7601296535
O             2.1140261253        0.4723735886       -1.5012424354
H             2.5565517765       -0.3930415313       -1.5478780358
H             1.3341078724        0.3180030941       -0.9054520499
O            -0.7291566268       -0.9664616504       -3.7091422150
H            -1.0127955442       -1.0526061240       -4.6198597363
H            -0.2541834775       -0.1113537482       -3.6417966332
O            -3.3209381876       -2.1863049978        0.0283165785
H            -3.2746275267       -1.6499281511       -0.8120056155
H            -4.0853187670       -2.7558108081       -0.0544968839
O             3.2740521609        0.6331070711        2.1558883479
H             3.9853916779        0.8826903136        2.7446378389
H             3.2741112893        1.2990690451        1.4116550536
O            -3.0347137217        2.0342860458        1.5455110617
H            -3.8671468374        2.4345551997        1.7950249043
H            -3.0845031302        1.0829533647        1.8547802706
O             2.8413634946       -1.9962990596        1.3712974929
H             3.0019550946       -1.0784210855        1.6479281452
H             2.8663645875       -2.0010745383        0.3997952330
O             0.0143616700       -0.0322292662       -0.0120286215
H            -0.7730082328        0.4689721602       -0.3344348169
H            -0.2258818613       -0.9839107235       -0.0480532261
O             0.6569623594       -2.9615034214       -2.3410713122
H             0.2055334129       -2.2951812076       -2.8842020529
H             0.1420658373       -2.9947113269       -1.5131399277
O             3.1753776870        2.3275626556        0.1664211066
H             2.3980174205        2.9137463127        0.2271951185
H             2.9426745158        1.6977594528       -0.5408364250
O             0.5724906955        0.6803735895        2.5121105127
H             1.5418672359        0.6553376123        2.5624673659
H             0.3596023090        0.4093860532        1.5915006315
O            -3.0623245811       -0.7614172957       -2.1522848175
H            -2.8389384764        0.0965128384       -1.7389053014
H            -2.2745375380       -0.9894980323       -2.6700655111
    63
 Energy=    -106.840136727920
O             0.7843397626        1.2820853748       -3.5887765376
H             1.3398824039        0.9969587738       -2.8115163016
H             1.3934414655        1.5490255883       -4.2773380863
O            -0.5576835035        3.0890213326        2.1679847567
H            -1.4685619800        2.8225421907        1.9575337480
H            -0.1209440035        2.2596156566        2.4543022585
O            -0.6305484481        3.2190310145       -2.0926843665
H            -0.1335275798        2.6345691012       -2.6842905137
H            -0.0317695465        3.4463628708       -1.3558922345
O             0.8716217997        3.8203586689        0.1256489176
H             0.3021750335        3.5264758361        0.8979355475
H             0.9837557980        4.7649036459        0.2349844870
O            -3.2420772404       -0.4648884298        2.2413150311
H            -2.4873260822       -0.7758758284        2.7880573653
H            -3.2788784705       -1.0574675751        1.4740705394
O            -2.0595534771        1.3663045932       -0.8774660782
H            -1.6476810177        2.1276602007       -1.3524836198
H            -2.4709603220        1.7160504494       -0.0658720050
O            -1.0247971155       -1.2705093985        3.5381407066
H            -0.4618460818       -0.4954041874        3.3591789791
H            -0.5326570822       -2.0199549572        3.1736486185
O             0.6514411513       -3.1418464716        2.2737757405
H             1.4771552323       -2.6717458381        1.9816304904
H             0.9370565426       -3.9797520993        2.6370941165
O            -0.6652811160       -2.6218939711       -0.0131366914
H            -1.6338379667       -2.5927998723        0.0932524991
H            -0.2816457876       -2.9112053174        0.8363342685
O             2.9404253322       -2.0919673776       -1.4207584388
H             2.0848124713       -2.4641578903       -1.7788081076
H             3.6414504819       -2.6476174264       -1.7601321261
O             2.1140181752        0.4723702133       -1.5012477019
H             2.5565696586       -0.3930320641       -1.5478425123
H             1.3341004614        0.3180089993       -0.9054536784
O            -0.7291603634       -0.9664682800       -3.7091631625
H            -1.0127999908       -1.0525846275       -4.6198834528
H            -0.2541763307       -0.1113583701       -3.6418016842
O            -3.3209258185       -2.1863237049        0.0283141383
H            -3.2746367624       -1.6499252122       -0.8119976583
H            -4.0853052671       -2.7558330376       -0.0544718796
O             3.2740624820        0.6330875590        2.1558760018
H             3.9853809806        0.8827138794        2.7446405321
H             3.2740934475        1.2990553225        1.4116486067
O            -3.0347299076        2.0342966779        1.5455106663
H            -3.8671680135        2.4345770161        1.7950192144
H            -3.0845190487        1.0829606677        1.8547720807
O             2.8413702232       -1.9963059269        1.3712997597
H             3.0019942439       -1.0784364539        1.6479320378
H             2.8663393194       -2.0010842271        0.3997982444
O             0.0143555039       -0.0322269393       -0.0120269659
H            -0.7729975858        0.4690081247       -0.3344272903
H            -0.2259249434       -0.9839070548       -0.0480431261
O             0.6569620156       -2.9615257223       -2.3410462861
H             0.2055419728       -2.2952159848       -2.8841935935
H             0.1420444141       -2.9947346819       -1.5131320631
O             3.1753537137        2.3275812384        0.1664371578
H             2.3979749959        2.9137326365        0.2272289133
H             2.9426703074        1.6977684064       -0.5408257144
O             0.5724909800        0.6803733041        2.5121193411
H             1.5418679911        0.6553275372        2.5624589421
H             0.3595713581        0.4093638340        1.5915243105
O            -3.0623456228       -0.7614199931       -2.1522594675
H            -2.8389596132        0.0965321159       -1.7389119093
H            -2.2745825270       -0.9894963087       -2.6700752857
    63
 Energy=    -106.840136627400
O             0.7844094918        1.2821956043       -3.5889525251
H             1.3398833734        0.9971118961       -2.8116125338
H             1.3935726200        1.5490557915       -4.2774948628
O            -0.5577111229        3.0892242715        2.1680428103
H            -1.4686159184        2.8228096332        1.9576216637
H            -0.1210425485        2.2597620408        2.4542947254
O            -0.6305754419        3.2188273306       -2.0927217169
H            -0.1336732224        2.6343808299       -2.6844584603
H            -0.0316799472        3.4461060539       -1.3560207806
O             0.8717144731        3.8203328494        0.1256636017
H             0.3022863093        3.5265880183        0.8980127326
H             0.9837954313        4.7649027247        0.2348320601
O            -3.2416467995       -0.4648591405        2.2412636219
H            -2.4869324345       -0.7759863944        2.7879825432
H            -3.2784310225       -1.0573074006        1.4739191601
O            -2.0598162341        1.3663281119       -0.8776456817
H            -1.6478200253        2.1276545790       -1.3526175848
H            -2.4711693395        1.7161011485       -0.0660417178
O            -1.0244858812       -1.2707518488        3.5380888831
H            -0.4616103138       -0.4955842332        3.3591191971
H            -0.5323298441       -2.0201480009        3.1735166592
O             0.6514929299       -3.1422298900        2.2736857111
H             1.4772313728       -2.6721414907        1.9815876155
H             0.9370736902       -3.9800358439        2.6372552535
O            -0.6652074820       -2.6216365456       -0.0130577437
H            -1.6337709785       -2.5926512982        0.0933419921
H            -0.2815645176       -2.9111603340        0.8363347524
O             2.9400735615       -2.0919033062       -1.4206191585
H             2.0845292157       -2.4642404095       -1.7787167346
H             3.6412354826       -2.6472605130       -1.7601809863
O             2.1139511407        0.4724547546       -1.5013600936
H             2.5563683314       -0.3930316009       -1.5478008339
H             1.3340008719        0.3182582786       -0.9055655992
O            -0.7291094577       -0.9664009613       -3.7091665632
H            -1.0128168695       -1.0527903916       -4.6198360557
H            -0.2540772564       -0.1112970723       -3.6420668196
O            -3.3208298276       -2.1863670537        0.0283578855
H            -3.2745993801       -1.6500220990       -0.8119865441
H            -4.0851613434       -2.7559506269       -0.0543591851
O             3.2738887586        0.6329735366        2.1561114616
H             3.9851250566        0.8826562102        2.7449504162
H             3.2739916778        1.2988895603        1.4118416022
O            -3.0346787426        2.0343955242        1.5455078841
H            -3.8671961600        2.4344583907        1.7950980409
H            -3.0842104011        1.0830687029        1.8548218382
O             2.8413988875       -1.9964282158        1.3715129966
H             3.0019603967       -1.0785508380        1.6481688171
H             2.8662915312       -2.0011652774        0.4000121749
O             0.0142810938       -0.0319153155       -0.0121503149
H            -0.7731395593        0.4692178092       -0.3345451123
H            -0.2258690872       -0.9836253550       -0.0481840078
O             0.6567451037       -2.9615324649       -2.3409706597
H             0.2054549830       -2.2951276772       -2.8841119806
H             0.1418932786       -2.9945395181       -1.5129995493
O             3.1753251921        2.3274006725        0.1666129742
H             2.3980041165        2.9136421034        0.2272932031
H             2.9427172739        1.6976939959       -0.5407641783
O             0.5723115327        0.6804656007        2.5120714248
H             1.5416870464        0.6553853671        2.5624340123
H             0.3594176308        0.4095563050        1.5914415109
O            -3.0623002511       -0.7615304189       -2.1523220619
H            -2.8391439178        0.0964814975       -1.7389825593
H            -2.2743854250       -0.9894500555       -2.6699771399
    63
 Energy=    -106.840136586860
O             0.7843972195        1.2821427990       -3.5889914220
H             1.3398732697        0.9971459386       -2.8116126861
H             1.3935693119        1.5487950970       -4.2776073841
O            -0.5577250542        3.0892762292        2.1681498970
H            -1.4686341419        2.8229133933        1.9576806405
H            -0.1210569225        2.2598036703        2.4543634617
O            -0.6305868386        3.2189225597       -2.0927392122
H            -0.1337349506        2.6344387868       -2.6844695404
H            -0.0316832075        3.4460553527       -1.3559987045
O             0.8716989277        3.8202905568        0.1256782457
H             0.3022756561        3.5265460829        0.8980225288
H             0.9837898165        4.7648602478        0.2348307627
O            -3.2415362902       -0.4648146292        2.2412353481
H            -2.4868632126       -0.7759937195        2.7879801299
H            -3.2783618619       -1.0572386956        1.4738715840
O            -2.0598863171        1.3663517232       -0.8776802046
H            -1.6478650939        2.1276491933       -1.3526621624
H            -2.4712512347        1.7161564139       -0.0660893877
O            -1.0243922210       -1.2708148482        3.5380889720
H            -0.4615701158       -0.4956278189        3.3590848175
H            -0.5322370016       -2.0202004237        3.1734794603
O             0.6515123507       -3.1423462482        2.2736705960
H             1.4772659666       -2.6722395183        1.9816266213
H             0.9370816257       -3.9801213408        2.6373117094
O            -0.6651769591       -2.6215698229       -0.0130532665
H            -1.6337448894       -2.5926375774        0.0933402263
H            -0.2814971294       -2.9111848960        0.8362933497
O             2.9399847157       -2.0918593822       -1.4205925226
H             2.0844428476       -2.4642036524       -1.7786975227
H             3.6411813131       -2.6471511324       -1.7601874117
O             2.1139373997        0.4725087011       -1.5013678557
H             2.5562548153       -0.3930337445       -1.5478500057
H             1.3339642588        0.3183782076       -0.9055869365
O            -0.7290369826       -0.9664136182       -3.7091424004
H            -1.0128282869       -1.0528602076       -4.6197814825
H            -0.2540810404       -0.1112656580       -3.6420770744
O            -3.3208221736       -2.1863244086        0.0283489144
H            -3.2745527647       -1.6500455900       -0.8120374747
H            -4.0851297766       -2.7559415415       -0.0543636717
O             3.2738394339        0.6329550981        2.1561768821
H             3.9850541344        0.8826319567        2.7450484273
H             3.2739833192        1.2988657854        1.4118955020
O            -3.0346377672        2.0343853234        1.5454935041
H            -3.8671749684        2.4344076032        1.7950624989
H            -3.0841028056        1.0830566220        1.8548300381
O             2.8414151611       -1.9964566410        1.3715441390
H             3.0018915984       -1.0785770360        1.6482342451
H             2.8662963646       -2.0011608343        0.4000369233
O             0.0142342999       -0.0318394728       -0.0122027123
H            -0.7732182329        0.4692458553       -0.3345917655
H            -0.2258526539       -0.9835607396       -0.0482050915
O             0.6566900572       -2.9615313743       -2.3409734731
H             0.2054268479       -2.2950851529       -2.8840878338
H             0.1418632152       -2.9944879293       -1.5129807873
O             3.1753890646        2.3273543998        0.1666040573
H             2.3980714535        2.9135998312        0.2272972333
H             2.9427535621        1.6976250965       -0.5407464951
O             0.5722870932        0.6805164861        2.5120516119
H             1.5416608611        0.6554057196        2.5624362608
H             0.3593761436        0.4096488743        1.5914131791
O            -3.0622392896       -0.7615869655       -2.1523322135
H            -2.8391866491        0.0964598485       -1.7390178840
H            -2.2742841678       -0.9894612299       -2.6699457039
    63
 Energy=    -106.840136555930
O             0.7844607530        1.2821594861       -3.5889773606
H             1.3399273653        0.9971153482       -2.8115983953
H             1.3936386730        1.5488651961       -4.2775717692
O            -0.5577021838        3.0893764480        2.1681174368
H            -1.4686203371        2.8230179763        1.9576735905
H            -0.1210601196        2.2599189932        2.4544055232
O            -0.6306884982        3.2189257323       -2.0928526951
H            -0.1338124553        2.6344211600       -2.6845323869
H            -0.0317838190        3.4460457926       -1.3560918319
O             0.8716401436        3.8201898869        0.1255092178
H             0.3022146190        3.5264651767        0.8978651837
H             0.9837035854        4.7647617013        0.2346561427
O            -3.2414313829       -0.4647898009        2.2412426793
H            -2.4867676579       -0.7760345793        2.7879698332
H            -3.2783164180       -1.0572108407        1.4738800168
O            -2.0600217489        1.3663966584       -0.8776908466
H            -1.6479883584        2.1276629604       -1.3527083436
H            -2.4713072320        1.7162396554       -0.0660756464
O            -1.0243036497       -1.2708873121        3.5380556113
H            -0.4615134038       -0.4956822813        3.3590514931
H            -0.5321290598       -2.0202624312        3.1734500942
O             0.6515561696       -3.1424945054        2.2736614081
H             1.4773339671       -2.6724018810        1.9816838017
H             0.9370696162       -3.9802570425        2.6373787939
O            -0.6651462461       -2.6215236699       -0.0130596511
H            -1.6337128850       -2.5925860252        0.0933626128
H            -0.2814254491       -2.9112410778        0.8362303033
O             2.9398799955       -2.0918542354       -1.4205411681
H             2.0843220371       -2.4641595390       -1.7786648368
H             3.6410642752       -2.6471226587       -1.7602058900
O             2.1139475706        0.4725300384       -1.5013575692
H             2.5561336394       -0.3930888627       -1.5479146791
H             1.3339532529        0.3184642092       -0.9055941418
O            -0.7289892390       -0.9663165772       -3.7090277860
H            -1.0128098859       -1.0528466006       -4.6196541382
H            -0.2540021485       -0.1111721094       -3.6420497190
O            -3.3207866780       -2.1863069278        0.0283335135
H            -3.2744962074       -1.6500810887       -0.8120899362
H            -4.0850994688       -2.7559143706       -0.0543838362
O             3.2737632912        0.6329517753        2.1562718444
H             3.9849751444        0.8825576596        2.7451766837
H             3.2739840746        1.2988674595        1.4120014868
O            -3.0345602451        2.0343907032        1.5455326207
H            -3.8671532665        2.4343138781        1.7950913219
H            -3.0839708907        1.0830413645        1.8548277880
O             2.8414400728       -1.9965176430        1.3715934453
H             3.0017800684       -1.0786249655        1.6483157834
H             2.8663249943       -2.0011778718        0.4000838537
O             0.0141915092       -0.0317485107       -0.0122101553
H            -0.7732984043        0.4692604665       -0.3346261985
H            -0.2258235158       -0.9834892165       -0.0481820059
O             0.6566279506       -2.9614430570       -2.3410128288
H             0.2053838801       -2.2949551617       -2.8840915675
H             0.1417904949       -2.9944528213       -1.5130253392
O             3.1754681999        2.3272773893        0.1666340947
H             2.3981604143        2.9135474207        0.2272469204
H             2.9428484953        1.6975227855       -0.5406907780
O             0.5722358445        0.6805751630        2.5120443703
H             1.5416037765        0.6554430743        2.5624778626
H             0.3593627958        0.4097708929        1.5913747552
O            -3.0621764078       -0.7616454682       -2.1523354995
H            -2.8392356171        0.0964136406       -1.7389959412
H            -2.2741426903       -0.9894433586       -2.6698776668
    63
 Energy=    -106.840136503450
O             0.7845149333        1.2821419056       -3.5889848690
H             1.3399703775        0.9970415523       -2.8116230459
H             1.3936920491        1.5490411459       -4.2774954498
O            -0.5576689165        3.0894830685        2.1680343969
H            -1.4685884973        2.8230962568        1.9576462135
H            -0.1210632868        2.2600422749        2.4544257990
O            -0.6307296090        3.2188287901       -2.0929395876
H            -0.1338230487        2.6343267163       -2.6846005908
H            -0.0318414533        3.4460342746       -1.3561918428
O             0.8716086569        3.8201147453        0.1253603706
H             0.3021736264        3.5264307642        0.8977233347
H             0.9836156366        4.7646991912        0.2344637611
O            -3.2413927483       -0.4648056767        2.2412696462
H            -2.4867089074       -0.7760751947        2.7879512868
H            -3.2783148535       -1.0572119436        1.4739009685
O            -2.0601239530        1.3664405857       -0.8776906571
H            -1.6480783893        2.1276931182       -1.3527280399
H            -2.4713227522        1.7163005126       -0.0660430162
O            -1.0242592105       -1.2709471522        3.5379973019
H            -0.4614738359       -0.4957216357        3.3590017084
H            -0.5320525339       -2.0203135157        3.1734193901
O             0.6516031728       -3.1426120198        2.2736547100
H             1.4774032509       -2.6725391524        1.9817131201
H             0.9370747687       -3.9803944286        2.6373668247
O            -0.6651114092       -2.6214767728       -0.0130705414
H            -1.6336729014       -2.5925249894        0.0933984764
H            -0.2813843206       -2.9112507241        0.8361909789
O             2.9398223164       -2.0918206237       -1.4205200815
H             2.0842596335       -2.4641131473       -1.7786461489
H             3.6409766724       -2.6470998802       -1.7602281435
O             2.1139365331        0.4725445631       -1.5013621625
H             2.5560675452       -0.3930976203       -1.5479418703
H             1.3339467796        0.3185205901       -0.9055817756
O            -0.7290136371       -0.9662617000       -3.7089564412
H            -1.0128115942       -1.0528625515       -4.6195773513
H            -0.2539423204       -0.1111547671       -3.6420654749
O            -3.3207523412       -2.1863132442        0.0283192825
H            -3.2744591987       -1.6500901342       -0.8121110500
H            -4.0850827409       -2.7558933989       -0.0543979021
O             3.2736913731        0.6329352912        2.1563611860
H             3.9849173642        0.8824728542        2.7452768569
H             3.2739757986        1.2988628726        1.4121044347
O            -3.0345020836        2.0343992057        1.5455935283
H            -3.8671160923        2.4342610184        1.7951808819
H            -3.0838887320        1.0830347038        1.8548295323
O             2.8414618191       -1.9965687623        1.3716236842
H             3.0017102399       -1.0786666237        1.6483738570
H             2.8663546745       -2.0011906720        0.4001181466
O             0.0141668101       -0.0316789261       -0.0122014199
H            -0.7733471854        0.4692816059       -0.3346239268
H            -0.2258105518       -0.9834338365       -0.0481343586
O             0.6566045535       -2.9613648644       -2.3410305131
H             0.2053514774       -2.2948720114       -2.8841074597
H             0.1417357323       -2.9944288469       -1.5130672800
O             3.1755112651        2.3272316079        0.1667003923
H             2.3982245021        2.9135254771        0.2272394292
H             2.9429148642        1.6974624305       -0.5406230973
O             0.5721691685        0.6806248109        2.5120646762
H             1.5415367326        0.6554810588        2.5625292891
H             0.3593483544        0.4098872606        1.5913670293
O            -3.0621529556       -0.7616651941       -2.1523410320
H            -2.8392656202        0.0963889130       -1.7389672502
H            -2.2740739032       -0.9894215530       -2.6698386353
    63
 Energy=    -106.840136473330
O             0.7845199410        1.2820873587       -3.5890201387
H             1.3399782782        0.9969943730       -2.8116593248
H             1.3936874173        1.5490537753       -4.2774902745
O            -0.5576558952        3.0895398503        2.1680223153
H            -1.4685682387        2.8231485331        1.9576470945
H            -0.1210709797        2.2600986163        2.4544452184
O            -0.6307009600        3.2187858106       -2.0929563739
H            -0.1338034318        2.6342718981       -2.6846281675
H            -0.0318309571        3.4460084081       -1.3562263039
O             0.8716085010        3.8200843257        0.1253340993
H             0.3021685384        3.5264527835        0.8977005947
H             0.9836018011        4.7646840819        0.2343863169
O            -3.2414061816       -0.4648266846        2.2412886788
H            -2.4867098594       -0.7760914295        2.7879438049
H            -3.2783273401       -1.0572029983        1.4738994754
O            -2.0601539642        1.3664645793       -0.8776978047
H            -1.6480864391        2.1277097354       -1.3527219980
H            -2.4713294799        1.7163196775       -0.0660384504
O            -1.0242472626       -1.2709796701        3.5379483208
H            -0.4614638529       -0.4957309059        3.3589593308
H            -0.5320209018       -2.0203278241        3.1733970837
O             0.6516230221       -3.1426703417        2.2736508148
H             1.4774316524       -2.6725842534        1.9817301389
H             0.9371056954       -3.9804719260        2.6373153640
O            -0.6650946569       -2.6214447667       -0.0130753561
H            -1.6336478606       -2.5925125414        0.0934228809
H            -0.2813669000       -2.9112200797        0.8361752396
O             2.9398135037       -2.0917757819       -1.4205210277
H             2.0842658798       -2.4640839243       -1.7786579089
H             3.6409621704       -2.6470568649       -1.7602218739
O             2.1139128039        0.4725635296       -1.5013693369
H             2.5560390132       -0.3930570227       -1.5479373981
H             1.3339377457        0.3185621198       -0.9055654889
O            -0.7290520854       -0.9662849511       -3.7089685144
H            -1.0128254861       -1.0528949021       -4.6195902404
H            -0.2539376753       -0.1111892337       -3.6421029321
O            -3.3207364714       -2.1863127965        0.0283148887
H            -3.2744380838       -1.6500829384       -0.8121144447
H            -4.0850757661       -2.7558810390       -0.0543995412
O             3.2736586243        0.6329082254        2.1563952814
H             3.9848857882        0.8824343716        2.7453108456
H             3.2739610904        1.2988478160        1.4121490252
O            -3.0344830471        2.0343882358        1.5456236709
H            -3.8670722325        2.4342553937        1.7952432308
H            -3.0838822899        1.0830181198        1.8548447662
O             2.8414682852       -1.9965894523        1.3716110035
H             3.0016951593       -1.0786860878        1.6483927956
H             2.8663643491       -2.0011846178        0.4001189062
O             0.0141553191       -0.0316484196       -0.0121988818
H            -0.7733632813        0.4692928797       -0.3346064280
H            -0.2258122376       -0.9834164444       -0.0481084103
O             0.6566165824       -2.9613510462       -2.3410075562
H             0.2053408920       -2.2948786744       -2.8841097203
H             0.1417181977       -2.9944128264       -1.5130665662
O             3.1755235675        2.3272330521        0.1667485139
H             2.3982559886        2.9135241069        0.2272802441
H             2.9429261668        1.6974485482       -0.5405912025
O             0.5721276637        0.6806496611        2.5120886148
H             1.5415052706        0.6555033207        2.5625403502
H             0.3593237012        0.4099584112        1.5913792592
O            -3.0621553129       -0.7616634407       -2.1523496808
H            -2.8392722007        0.0963923724       -1.7389599523
H            -2.2740801794       -0.9894124844       -2.6698373917
    63
 Energy=    -106.840136440070
O             0.7844522805        1.2820167045       -3.5891962727
H             1.3398640560        0.9969807307       -2.8117684341
H             1.3937005779        1.5488585495       -4.2776587686
O            -0.5576923986        3.0896852974        2.1681153705
H            -1.4685848896        2.8232394832        1.9576732302
H            -0.1210451763        2.2602966203        2.4545871887
O            -0.6305766493        3.2186776015       -2.0928055957
H            -0.1336144766        2.6343116573       -2.6845525670
H            -0.0317206399        3.4458925065       -1.3560412069
O             0.8716861287        3.8200324418        0.1254441904
H             0.3022260836        3.5263940123        0.8978128534
H             0.9833622608        4.7646875388        0.2342573118
O            -3.2413853935       -0.4648902462        2.2413307311
H            -2.4866232580       -0.7761140092        2.7879308306
H            -3.2783708230       -1.0573093509        1.4739710579
O            -2.0602217602        1.3665091744       -0.8777530807
H            -1.6481730403        2.1277730983       -1.3527526899
H            -2.4713209855        1.7163424063       -0.0660341833
O            -1.0241517927       -1.2709998104        3.5378577681
H            -0.4613956932       -0.4957736657        3.3587855718
H            -0.5319403696       -2.0204157329        3.1733789654
O             0.6516843267       -3.1428452855        2.2737122223
H             1.4775055037       -2.6727988685        1.9817626467
H             0.9371221490       -3.9806591451        2.6373525576
O            -0.6650131077       -2.6214294090       -0.0130011852
H            -1.6335657155       -2.5924524742        0.0934678275
H            -0.2813020974       -2.9112649497        0.8362465100
O             2.9397529382       -2.0917013133       -1.4205121865
H             2.0841447768       -2.4639273865       -1.7786041933
H             3.6408490047       -2.6470041742       -1.7602984393
O             2.1138235494        0.4726330566       -1.5014685547
H             2.5560580232       -0.3929468164       -1.5479784470
H             1.3338448955        0.3186349087       -0.9056596011
O            -0.7290472143       -0.9663715153       -3.7089796187
H            -1.0128469547       -1.0531356142       -4.6195964424
H            -0.2539852899       -0.1112451404       -3.6422269227
O            -3.3206934791       -2.1863331638        0.0283045330
H            -3.2743453849       -1.6500325606       -0.8120748769
H            -4.0851051921       -2.7558016317       -0.0544209121
O             3.2735552486        0.6329212697        2.1564945074
H             3.9848153238        0.8823314787        2.7454265103
H             3.2739609730        1.2988334361        1.4122262948
O            -3.0343694042        2.0344222585        1.5456901344
H            -3.8670035240        2.4342672613        1.7952506841
H            -3.0837198698        1.0830209573        1.8548114113
O             2.8414514823       -1.9965812760        1.3716904817
H             3.0016108785       -1.0786847180        1.6484748888
H             2.8662987932       -2.0011670657        0.4001789453
O             0.0140476671       -0.0315371874       -0.0122534283
H            -0.7734730474        0.4693968968       -0.3347125543
H            -0.2258623076       -0.9833078285       -0.0480850087
O             0.6566043971       -2.9613287827       -2.3410880593
H             0.2053349442       -2.2948257189       -2.8841436699
H             0.1417140567       -2.9944414749       -1.5131342501
O             3.1755931444        2.3271906770        0.1667899417
H             2.3983444984        2.9135371170        0.2273313150
H             2.9429566860        1.6974516988       -0.5405645480
O             0.5720151232        0.6807966186        2.5120029715
H             1.5413856597        0.6555964054        2.5625351649
H             0.3592222084        0.4101080956        1.5912763722
O            -3.0620890623       -0.7616940944       -2.1523982347
H            -2.8392434819        0.0963902309       -1.7390519668
H            -2.2739940586       -0.9894521821       -2.6698456150
    63
 Energy=    -106.840136059970
O             0.7844918708        1.2819654032       -3.5894873319
H             1.3397534036        0.9972705621       -2.8118702964
H             1.3938839592        1.5488690014       -4.2777839421
O            -0.5576218575        3.0902790334        2.1680384959
H            -1.4684740580        2.8236655650        1.9575916123
H            -0.1209399645        2.2609722223        2.4547086222
O            -0.6304298943        3.2185685566       -2.0929898538
H            -0.1336880740        2.6340045370       -2.6847038745
H            -0.0315883165        3.4451452891       -1.3559637520
O             0.8717689473        3.8196527424        0.1251233633
H             0.3024165293        3.5263796199        0.8977272052
H             0.9826920471        4.7644911215        0.2330220626
O            -3.2414157164       -0.4650398015        2.2413728962
H            -2.4866464601       -0.7762686876        2.7879685801
H            -3.2786361831       -1.0576672981        1.4741738800
O            -2.0604522181        1.3666459423       -0.8777782010
H            -1.6482743401        2.1278152759       -1.3528162290
H            -2.4713625087        1.7164561606       -0.0659505236
O            -1.0239167888       -1.2711866884        3.5374482947
H            -0.4612564037       -0.4959027850        3.3581975100
H            -0.5316146586       -2.0206341111        3.1731759091
O             0.6518972970       -3.1435488781        2.2737339052
H             1.4776798283       -2.6733507292        1.9819673606
H             0.9374019587       -3.9814442218        2.6371393100
O            -0.6647079537       -2.6211945711       -0.0128078913
H            -1.6332722525       -2.5925555643        0.0935798776
H            -0.2810203424       -2.9111963484        0.8363992401
O             2.9396233189       -2.0917157316       -1.4203390991
H             2.0840168700       -2.4636827671       -1.7786932244
H             3.6406149467       -2.6469491179       -1.7604750080
O             2.1136554771        0.4728998974       -1.5014414554
H             2.5561932885       -0.3926272978       -1.5477945054
H             1.3337424868        0.3187169759       -0.9056294404
O            -0.7290811318       -0.9663759566       -3.7091638564
H            -1.0129411513       -1.0534152515       -4.6197717208
H            -0.2541199548       -0.1111784084       -3.6427014522
O            -3.3205968419       -2.1863505807        0.0283967180
H            -3.2741138075       -1.6498768654       -0.8118581990
H            -4.0851593795       -2.7556184980       -0.0544824613
O             3.2732348028        0.6327687344        2.1568456040
H             3.9845841726        0.8818935433        2.7457889647
H             3.2738547862        1.2987145475        1.4126255593
O            -3.0341129885        2.0342070708        1.5459269482
H            -3.8665670366        2.4342914121        1.7957020687
H            -3.0836109731        1.0828295775        1.8551113309
O             2.8414068227       -1.9966568239        1.3718243262
H             3.0014966802       -1.0787484817        1.6486574203
H             2.8661703353       -2.0011464923        0.4003164620
O             0.0138658268       -0.0312083950       -0.0122586555
H            -0.7736405684        0.4697129192       -0.3347617367
H            -0.2261391487       -0.9829608873       -0.0479465957
O             0.6566418957       -2.9613036049       -2.3411275515
H             0.2054439619       -2.2947894369       -2.8842332529
H             0.1416651297       -2.9944851362       -1.5132392879
O             3.1757515444        2.3270212573        0.1671680610
H             2.3985891076        2.9134602866        0.2275614825
H             2.9431786011        1.6974217994       -0.5403809050
O             0.5716290294        0.6812692820        2.5120755568
H             1.5409923730        0.6559357130        2.5625876120
H             0.3587776828        0.4107790189        1.5912825124
O            -3.0620216570       -0.7615508705       -2.1523214521
H            -2.8392121097        0.0966284485       -1.7391513304
H            -2.2739691402       -0.9893436282       -2.6698061880
    63
 Energy=    -106.840135349240
O             0.7844381412        1.2815289320       -3.5897607443
H             1.3398590885        0.9969006557       -2.8122062309
H             1.3936668112        1.5475932028       -4.2786059512
O            -0.5576534670        3.0912083596        2.1683547757
H            -1.4683955951        2.8243947979        1.9577793441
H            -0.1210511293        2.2619469780        2.4550791163
O            -0.6303478034        3.2184115843       -2.0931137306
H            -0.1339357727        2.6339419264       -2.6851310189
H            -0.0311647149        3.4446404502       -1.3562630865
O             0.8719271103        3.8191474753        0.1247847793
H             0.3025870939        3.5267747547        0.8977194093
H             0.9825346244        4.7642432519        0.2312465893
O            -3.2420158851       -0.4655059758        2.2418024693
H            -2.4870625868       -0.7766792939        2.7880150059
H            -3.2788650055       -1.0574940941        1.4741429249
O            -2.0605795396        1.3669388837       -0.8777541656
H            -1.6483234406        2.1281833856       -1.3526645548
H            -2.4715247507        1.7166094399       -0.0659407001
O            -1.0237242450       -1.2715254322        3.5366619245
H            -0.4611967860       -0.4961141290        3.3575155495
H            -0.5311364873       -2.0209545065        3.1727373175
O             0.6522864817       -3.1442424188        2.2737851194
H             1.4779938354       -2.6738442838        1.9820624297
H             0.9379742389       -3.9825702356        2.6360820399
O            -0.6644824596       -2.6209177067       -0.0126303335
H            -1.6329922828       -2.5926455822        0.0939514265
H            -0.2806773630       -2.9110352191        0.8364327459
O             2.9397279700       -2.0909824164       -1.4206197266
H             2.0843190754       -2.4635282655       -1.7787144579
H             3.6408910570       -2.6463807000       -1.7600733317
O             2.1135936663        0.4733572438       -1.5011250160
H             2.5558120377       -0.3922540631       -1.5473901884
H             1.3335228560        0.3194626991       -0.9054904551
O            -0.7293308660       -0.9667229348       -3.7098338100
H            -1.0129895066       -1.0534126601       -4.6205564108
H            -0.2541919053       -0.1116916864       -3.6430096938
O            -3.3203847811       -2.1862541339        0.0283979396
H            -3.2738340213       -1.6497566759       -0.8118614541
H            -4.0850737427       -2.7553162096       -0.0545557033
O             3.2727336245        0.6323368104        2.1572309152
H             3.9840878899        0.8813390287        2.7462197284
H             3.2736384166        1.2982548461        1.4129988997
O            -3.0337686881        2.0339153528        1.5463655918
H            -3.8658500838        2.4344483265        1.7967354954
H            -3.0837125961        1.0824724822        1.8554137711
O             2.8414134906       -1.9968806970        1.3717506355
H             3.0012949773       -1.0789710211        1.6488133577
H             2.8660503798       -2.0010339211        0.4002005250
O             0.0136558365       -0.0307941360       -0.0118850002
H            -0.7738781657        0.4699332428       -0.3345486387
H            -0.2260874636       -0.9825723215       -0.0476986121
O             0.6566076020       -2.9613588634       -2.3410090245
H             0.2051641662       -2.2952020882       -2.8842534228
H             0.1418615476       -2.9939953274       -1.5129720106
O             3.1761760828        2.3268654988        0.1676780519
H             2.3990849595        2.9133658041        0.2283759576
H             2.9432055574        1.6974004389       -0.5398514174
O             0.5711797084        0.6820228418        2.5121577465
H             1.5405135598        0.6562481960        2.5626010008
H             0.3582809385        0.4115727332        1.5914045897
O            -3.0620022831       -0.7614710158       -2.1522552619
H            -2.8391231104        0.0966847237       -1.7391187588
H            -2.2742151935       -0.9892787323       -2.6700947843
    63
 Energy=    -106.840135166310
O             0.7844197057        1.2808357970       -3.5900180762
H             1.3399174159        0.9966390169       -2.8123470189
H             1.3935499054        1.5475510247       -4.2786467991
O            -0.5578193954        3.0918364397        2.1681929179
H            -1.4685307949        2.8246634033        1.9577834066
H            -0.1209523793        2.2627494886        2.4551395000
O            -0.6300492907        3.2179193708       -2.0934402114
H            -0.1338152061        2.6331353710       -2.6853528813
H            -0.0307682277        3.4442746518       -1.3567249046
O             0.8721067399        3.8192713504        0.1244852944
H             0.3026134637        3.5271914238        0.8973773133
H             0.9826664418        4.7643822181        0.2304709006
O            -3.2423034832       -0.4655010984        2.2418190614
H            -2.4874850936       -0.7770455019        2.7881207696
H            -3.2791959885       -1.0574781105        1.4740943852
O            -2.0607845530        1.3670480503       -0.8775590288
H            -1.6484167992        2.1280995415       -1.3526030740
H            -2.4715245964        1.7168747901       -0.0656901231
O            -1.0237721200       -1.2718238083        3.5361760771
H            -0.4612936709       -0.4963187989        3.3573734251
H            -0.5309430785       -2.0211398263        3.1724055833
O             0.6526812222       -3.1444346774        2.2735249904
H             1.4784189864       -2.6741366613        1.9816795400
H             0.9381670084       -3.9831895079        2.6349700157
O            -0.6642979106       -2.6206927010       -0.0123742884
H            -1.6328515114       -2.5922575091        0.0940691066
H            -0.2805611412       -2.9113010194        0.8366190466
O             2.9398252323       -2.0905966241       -1.4205736519
H             2.0845168093       -2.4633629052       -1.7787466850
H             3.6413192492       -2.6457053330       -1.7598484579
O             2.1135030697        0.4736831837       -1.5010478392
H             2.5554783093       -0.3920450533       -1.5473212921
H             1.3334461279        0.3200135913       -0.9052643218
O            -0.7296259092       -0.9672198507       -3.7103740743
H            -1.0132602111       -1.0536902795       -4.6210952468
H            -0.2542680537       -0.1123028408       -3.6434108924
O            -3.3203220175       -2.1861653892        0.0283503810
H            -3.2739406402       -1.6498065453       -0.8119656140
H            -4.0849330548       -2.7553876779       -0.0543494772
O             3.2725093849        0.6319311287        2.1574499196
H             3.9837328155        0.8808854540        2.7466197466
H             3.2735312674        1.2979582700        1.4132631027
O            -3.0337176643        2.0339103186        1.5465642585
H            -3.8654906692        2.4344957240        1.7978021591
H            -3.0834583434        1.0824670534        1.8555463636
O             2.8416308876       -1.9970623304        1.3715820454
H             3.0011455574       -1.0791848784        1.6488663567
H             2.8660482340       -2.0009904013        0.4000645509
O             0.0137252804       -0.0304024882       -0.0117983869
H            -0.7739852492        0.4701856821       -0.3343286766
H            -0.2258565672       -0.9822527685       -0.0473926738
O             0.6566910898       -2.9611929075       -2.3407466022
H             0.2048532449       -2.2955584988       -2.8843650511
H             0.1420768940       -2.9936176065       -1.5125780087
O             3.1761554064        2.3267615755        0.1682806901
H             2.3991514386        2.9133734852        0.2288429902
H             2.9432903120        1.6974231430       -0.5393781538
O             0.5709340535        0.6823192937        2.5123391505
H             1.5402638514        0.6563486292        2.5630515928
H             0.3582085489        0.4118526603        1.5915172140
O            -3.0621849113       -0.7612532377       -2.1522857746
H            -2.8391581020        0.0967863443       -1.7389506656
H            -2.2745002216       -0.9889930375       -2.6703544252
    63
 Energy=    -106.840133663440
O             0.7839801576        1.2784309218       -3.5904487546
H             1.3389881078        0.9952753938       -2.8119787509
H             1.3935877735        1.5457541625       -4.2783809644
O            -0.5574407194        3.0930255179        2.1667637039
H            -1.4683302187        2.8259115445        1.9570943149
H            -0.1207216857        2.2642215796        2.4546703513
O            -0.6300652190        3.2158557971       -2.0951959842
H            -0.1340088287        2.6304068010       -2.6866740404
H            -0.0306032108        3.4434236401       -1.3590784182
O             0.8722449490        3.8202345766        0.1229123064
H             0.3023307134        3.5280112943        0.8954114249
H             0.9841906333        4.7650234907        0.2303620946
O            -3.2428898633       -0.4654593431        2.2415543908
H            -2.4878356447       -0.7771761356        2.7873708589
H            -3.2801914076       -1.0573467159        1.4737755121
O            -2.0611557658        1.3671254225       -0.8766085866
H            -1.6487270050        2.1276603723       -1.3524613021
H            -2.4717059400        1.7176310443       -0.0649929251
O            -1.0243346580       -1.2728632423        3.5351431357
H            -0.4624285390       -0.4967691261        3.3570360801
H            -0.5307210269       -2.0216749638        3.1714614240
O             0.6537257990       -3.1451952951        2.2720969477
H             1.4795563056       -2.6750026866        1.9802849950
H             0.9388316150       -3.9851631286        2.6310300812
O            -0.6642504225       -2.6190873108       -0.0121528183
H            -1.6328265164       -2.5905120731        0.0943144084
H            -0.2802609444       -2.9099407963        0.8367025895
O             2.9400895496       -2.0888957403       -1.4208846571
H             2.0848770908       -2.4621975540       -1.7788405689
H             3.6419504459       -2.6438033518       -1.7597316099
O             2.1132151488        0.4748042198       -1.5007221219
H             2.5555221021       -0.3907617064       -1.5470367487
H             1.3333100453        0.3208692859       -0.9047606420
O            -0.7307209714       -0.9688539307       -3.7114296788
H            -1.0144638234       -1.0545277441       -4.6221636520
H            -0.2544707904       -0.1144385111       -3.6440656130
O            -3.3202125482       -2.1857275201        0.0281172997
H            -3.2743968530       -1.6498481134       -0.8125352559
H            -4.0841337368       -2.7559287524       -0.0540542760
O             3.2717936338        0.6306513135        2.1588359709
H             3.9829341619        0.8790486313        2.7483376141
H             3.2730186572        1.2969955041        1.4150019147
O            -3.0337141872        2.0344448091        1.5485224540
H            -3.8650510886        2.4347862453        1.8015800074
H            -3.0833131188        1.0827439334        1.8566053499
O             2.8428755420       -1.9978800613        1.3708535863
H             3.0017505377       -1.0800960233        1.6488691392
H             2.8669683944       -2.0009455140        0.3992988262
O             0.0141351432       -0.0296539753       -0.0106858500
H            -0.7736817123        0.4705994089       -0.3333675191
H            -0.2253666337       -0.9816064931       -0.0462832004
O             0.6571808022       -2.9606499012       -2.3399538382
H             0.2049523660       -2.2959638509       -2.8844024410
H             0.1427677900       -2.9923014334       -1.5116146691
O             3.1760034436        2.3265311728        0.1700284124
H             2.3989678186        2.9132256481        0.2296362351
H             2.9441425607        1.6977583578       -0.5384138523
O             0.5703019935        0.6832453853        2.5140027878
H             1.5395903900        0.6562763662        2.5650397688
H             0.3576683331        0.4135252385        1.5929857266
O            -3.0625005492       -0.7609416263       -2.1528013143
H            -2.8393797782        0.0968764536       -1.7390886952
H            -2.2750374980       -0.9884033081       -2.6713814865
    63
 Energy=    -106.840133323800
O             0.7838621384        1.2778863687       -3.5904980868
H             1.3386866830        0.9948527047       -2.8118716061
H             1.3935755601        1.5451668680       -4.2783570971
O            -0.5572703500        3.0931555257        2.1662599708
H            -1.4682580200        2.8260692222        1.9569021074
H            -0.1206703588        2.2642997063        2.4545509842
O            -0.6301604253        3.2153712328       -2.0955009850
H            -0.1342848597        2.6297711353       -2.6870209409
H            -0.0304725469        3.4432859389       -1.3596107283
O             0.8723445187        3.8204152231        0.1225099516
H             0.3025006216        3.5280498789        0.8949208585
H             0.9846637033        4.7651136955        0.2303323717
O            -3.2428612812       -0.4653957226        2.2414366940
H            -2.4879481182       -0.7773431636        2.7871233730
H            -3.2802521898       -1.0570646363        1.4735723689
O            -2.0611752399        1.3669941626       -0.8762594646
H            -1.6487711312        2.1274356772       -1.3523464599
H            -2.4718665720        1.7176945942       -0.0648258818
O            -1.0243892527       -1.2730835614        3.5348521801
H            -0.4623890073       -0.4969126635        3.3571027299
H            -0.5306421020       -2.0218605908        3.1712700369
O             0.6539253649       -3.1452312736        2.2718034170
H             1.4798462391       -2.6750529453        1.9800735417
H             0.9388383845       -3.9855786753        2.6300847255
O            -0.6642834243       -2.6185678254       -0.0121986694
H            -1.6328213853       -2.5901075319        0.0941708522
H            -0.2802196393       -2.9094190131        0.8365544694
O             2.9403219709       -2.0884853327       -1.4211559803
H             2.0849711874       -2.4617733544       -1.7787533482
H             3.6420194557       -2.6435236148       -1.7601679230
O             2.1132048765        0.4750663818       -1.5004425029
H             2.5555919693       -0.3904239935       -1.5470077233
H             1.3334707472        0.3210207574       -0.9043798268
O            -0.7309333964       -0.9693024496       -3.7115298025
H            -1.0149651899       -1.0551624930       -4.6221429537
H            -0.2547065732       -0.1148329392       -3.6444618548
O            -3.3202782452       -2.1856877161        0.0279848592
H            -3.2745422249       -1.6496925078       -0.8126151541
H            -4.0840013038       -2.7560895887       -0.0543900149
O             3.2715916498        0.6304338460        2.1592659822
H             3.9828978121        0.8787031666        2.7486657219
H             3.2727800647        1.2969566075        1.4154944273
O            -3.0338373629        2.0346517029        1.5486522814
H            -3.8649144545        2.4351265855        1.8023579626
H            -3.0834601057        1.0829354104        1.8567775861
O             2.8432874863       -1.9980765310        1.3706957445
H             3.0020446867       -1.0803444095        1.6489516694
H             2.8673739828       -2.0009730071        0.3991497224
O             0.0142884433       -0.0292462415       -0.0104158799
H            -0.7736600270        0.4710202291       -0.3328772719
H            -0.2251768838       -0.9811644237       -0.0459900376
O             0.6573930719       -2.9605222198       -2.3397818164
H             0.2051499599       -2.2960150863       -2.8845309855
H             0.1427725227       -2.9922119127       -1.5114710238
O             3.1757450936        2.3264688556        0.1705589199
H             2.3988605683        2.9133317781        0.2298553955
H             2.9441372837        1.6978373940       -0.5379919456
O             0.5700063725        0.6834721221        2.5144755161
H             1.5393828009        0.6561934674        2.5656684357
H             0.3575192733        0.4134778201        1.5933255761
O            -3.0626293826       -0.7608167472       -2.1528348266
H            -2.8394896151        0.0969125820       -1.7391326288
H            -2.2752127271       -0.9884508699       -2.6713275341
    63
 Energy=    -106.840131878160
O             0.7835335426        1.2768630506       -3.5906718260
H             1.3383518070        0.9941167155       -2.8118173001
H             1.3935070450        1.5427213676       -4.2789284389
O            -0.5571318475        3.0934197862        2.1658653535
H            -1.4681612760        2.8263890914        1.9567104290
H            -0.1207163972        2.2646604598        2.4543182023
O            -0.6305113844        3.2150723324       -2.0957804066
H            -0.1346984292        2.6293021317       -2.6870350389
H            -0.0304840678        3.4433075036       -1.3603986094
O             0.8726516287        3.8208431352        0.1218128536
H             0.3028627427        3.5281287720        0.8942013862
H             0.9857854575        4.7653274878        0.2307634417
O            -3.2431340685       -0.4654453029        2.2415233877
H            -2.4879718628       -0.7777956716        2.7869455771
H            -3.2803602115       -1.0564766395        1.4730706064
O            -2.0611535292        1.3665548681       -0.8756140773
H            -1.6489419895        2.1267754102       -1.3520181819
H            -2.4722320250        1.7175836731       -0.0645005896
O            -1.0243988835       -1.2732017327        3.5340590270
H            -0.4622098175       -0.4971397355        3.3572715298
H            -0.5304794298       -2.0220416598        3.1711112012
O             0.6542381711       -3.1452572707        2.2714141433
H             1.4802802956       -2.6753238893        1.9799693606
H             0.9389274105       -3.9861750141        2.6283757315
O            -0.6644081700       -2.6178899184       -0.0123750293
H            -1.6329757165       -2.5896208653        0.0942320564
H            -0.2804105147       -2.9086435394        0.8364854485
O             2.9407105299       -2.0879202506       -1.4211772545
H             2.0851415293       -2.4606498167       -1.7788381649
H             3.6418724265       -2.6432252361       -1.7607119587
O             2.1130314505        0.4755727445       -1.5003429087
H             2.5559100155       -0.3896705052       -1.5470904272
H             1.3336533373        0.3212245205       -0.9036109332
O            -0.7307287811       -0.9700653784       -3.7119621337
H            -1.0155531858       -1.0559489786       -4.6223485605
H            -0.2551365402       -0.1152132669       -3.6450173916
O            -3.3202991900       -2.1856006914        0.0277700952
H            -3.2744541639       -1.6494091304       -0.8126520720
H            -4.0837888399       -2.7563445569       -0.0549996796
O             3.2712655258        0.6300940525        2.1597889288
H             3.9826498079        0.8781331855        2.7491323255
H             3.2724104679        1.2967855666        1.4163425429
O            -3.0340732516        2.0350465867        1.5492032902
H            -3.8647417018        2.4358760570        1.8037163282
H            -3.0835880488        1.0832946296        1.8570007761
O             2.8438924360       -1.9986331781        1.3703767653
H             3.0025703170       -1.0808828399        1.6489764229
H             2.8679748996       -2.0008091103        0.3986837946
O             0.0143992034       -0.0283362894       -0.0096751195
H            -0.7737848485        0.4715789625       -0.3321907884
H            -0.2246504391       -0.9803135826       -0.0456257103
O             0.6579379468       -2.9601852280       -2.3393846011
H             0.2053788844       -2.2961295041       -2.8844131043
H             0.1425569865       -2.9918343531       -1.5115222150
O             3.1755126751        2.3264732859        0.1714013725
H             2.3986324082        2.9134667112        0.2300264205
H             2.9441423940        1.6979407115       -0.5374241391
O             0.5694856056        0.6837753136        2.5147999892
H             1.5386433430        0.6561548472        2.5664640279
H             0.3573318634        0.4133113500        1.5938291330
O            -3.0629128219       -0.7607774666       -2.1533648251
H            -2.8394115964        0.0967775832       -1.7392494868
H            -2.2752280245       -0.9888536889       -2.6713914979
    63
 Energy=    -106.840131432730
O             0.7833375373        1.2760016790       -3.5906985419
H             1.3382705240        0.9937130886       -2.8117004342
H             1.3932934796        1.5413872082       -4.2791412749
O            -0.5569722819        3.0934546021        2.1650790158
H            -1.4680649663        2.8264326389        1.9561412070
H            -0.1205853459        2.2648101466        2.4539031187
O            -0.6310183846        3.2145920281       -2.0960234123
H            -0.1351430014        2.6287147161       -2.6871605649
H            -0.0308062657        3.4433921878       -1.3608730140
O             0.8729009614        3.8208332967        0.1211220987
H             0.3030196852        3.5281812488        0.8933959347
H             0.9863672772        4.7652611163        0.2301030051
O            -3.2430227149       -0.4651613094        2.2411952935
H            -2.4880715537       -0.7777741846        2.7866862051
H            -3.2804801053       -1.0560869090        1.4726956667
O            -2.0613912339        1.3663664818       -0.8752369846
H            -1.6491325596        2.1266004515       -1.3516986429
H            -2.4726548757        1.7174804489       -0.0642276496
O            -1.0243105047       -1.2738059476        3.5342575921
H            -0.4622571170       -0.4975407242        3.3573538436
H            -0.5302424496       -2.0223462272        3.1707469670
O             0.6544928682       -3.1451387899        2.2707907296
H             1.4808250524       -2.6753502472        1.9796604861
H             0.9387505184       -3.9865707347        2.6269522954
O            -0.6643717934       -2.6171051097       -0.0124640080
H            -1.6329778922       -2.5890013125        0.0939280388
H            -0.2804431446       -2.9081928495        0.8363683426
O             2.9411346158       -2.0876565068       -1.4214827878
H             2.0853070494       -2.4602247782       -1.7788481765
H             3.6420337961       -2.6429027142       -1.7617445943
O             2.1131611295        0.4758167722       -1.5000558965
H             2.5559873182       -0.3894417635       -1.5467082065
H             1.3340119114        0.3218898723       -0.9032559452
O            -0.7312454093       -0.9706324247       -3.7119010517
H            -1.0162288067       -1.0569647325       -4.6221981542
H            -0.2553951815       -0.1158800891       -3.6454246166
O            -3.3205497852       -2.1855318574        0.0273991311
H            -3.2746772407       -1.6491447566       -0.8128803878
H            -4.0837027412       -2.7566447716       -0.0558604367
O             3.2709212005        0.6298097295        2.1604892265
H             3.9826581845        0.8777291976        2.7495026738
H             3.2718201123        1.2966681961        1.4170599532
O            -3.0342342482        2.0355542839        1.5494384972
H            -3.8645723831        2.4366504870        1.8046331983
H            -3.0839217004        1.0836716410        1.8570156357
O             2.8446062498       -1.9987477936        1.3701909320
H             3.0029599933       -1.0811381896        1.6490527658
H             2.8687928758       -2.0008436297        0.3986486478
O             0.0146702281       -0.0277647628       -0.0089240605
H            -0.7734314610        0.4723356964       -0.3312986278
H            -0.2245882858       -0.9796890788       -0.0453317554
O             0.6580475844       -2.9600079005       -2.3393183180
H             0.2056193552       -2.2961352770       -2.8845258957
H             0.1427905571       -2.9914615299       -1.5115455985
O             3.1753529133        2.3264836652        0.1722908477
H             2.3984741234        2.9136244281        0.2305175989
H             2.9440528102        1.6978738418       -0.5364878872
O             0.5693213594        0.6835455588        2.5156778928
H             1.5385254594        0.6561281266        2.5673007338
H             0.3572564908        0.4133416436        1.5945476799
O            -3.0630599240       -0.7605768603       -2.1533544110
H            -2.8393848014        0.0968593457       -1.7391665084
H            -2.2753139611       -0.9889824609       -2.6710979342
    63
 Energy=    -106.840129681190
O             0.7832850268        1.2754665436       -3.5906108796
H             1.3380944110        0.9934482493       -2.8115617445
H             1.3931899516        1.5408505011       -4.2790526749
O            -0.5568203993        3.0934464061        2.1643638690
H            -1.4680057300        2.8264725731        1.9557908450
H            -0.1204692341        2.2649020483        2.4536352647
O            -0.6312735684        3.2140727806       -2.0962506197
H            -0.1356006622        2.6281121622       -2.6875622934
H            -0.0309631742        3.4433981110       -1.3614416219
O             0.8731284542        3.8207518936        0.1205832176
H             0.3031375701        3.5281440355        0.8928236304
H             0.9867409797        4.7651672322        0.2295572513
O            -3.2428965460       -0.4648499152        2.2408553362
H            -2.4882534238       -0.7777577431        2.7864530946
H            -3.2805877123       -1.0557635651        1.4723804096
O            -2.0615848230        1.3663234294       -0.8749908641
H            -1.6491948706        2.1264944880       -1.3514742734
H            -2.4728858127        1.7174040512       -0.0640674315
O            -1.0240734452       -1.2743126628        3.5346422949
H            -0.4622965409       -0.4978755096        3.3572484006
H            -0.5300714581       -2.0225530802        3.1703519011
O             0.6547694649       -3.1450515767        2.2703076860
H             1.4811785440       -2.6752944069        1.9794607513
H             0.9385299256       -3.9868765559        2.6259486056
O            -0.6642425857       -2.6164267500       -0.0124559921
H            -1.6328818881       -2.5884998727        0.0935677490
H            -0.2803919546       -2.9078648183        0.8363053809
O             2.9414722183       -2.0873817002       -1.4219295364
H             2.0854583007       -2.4599330450       -1.7787015278
H             3.6421821940       -2.6426945984       -1.7625481509
O             2.1134300233        0.4760520720       -1.4998267341
H             2.5559967658       -0.3893648719       -1.5464073492
H             1.3342123595        0.3223959005       -0.9028586695
O            -0.7318651834       -0.9709854487       -3.7117469037
H            -1.0168169981       -1.0578070278       -4.6219773851
H            -0.2555447360       -0.1164151051       -3.6457756659
O            -3.3207602114       -2.1854918313        0.0271521366
H            -3.2749643295       -1.6489033146       -0.8131109311
H            -4.0836461369       -2.7568416172       -0.0565108863
O             3.2706808091        0.6297002404        2.1610210757
H             3.9826924760        0.8774300256        2.7497526491
H             3.2713575742        1.2965389247        1.4176481598
O            -3.0343450622        2.0358051378        1.5495641987
H            -3.8643874272        2.4371315388        1.8052745751
H            -3.0842659944        1.0839675782        1.8569900730
O             2.8451320215       -1.9988490556        1.3701163073
H             3.0032682240       -1.0812512605        1.6491892784
H             2.8693824221       -2.0009289737        0.3985615754
O             0.0149001035       -0.0273872740       -0.0084281968
H            -0.7731289824        0.4730002097       -0.3305199527
H            -0.2246854178       -0.9792839427       -0.0451016709
O             0.6581201054       -2.9599720618       -2.3393426273
H             0.2058810846       -2.2960949361       -2.8847914992
H             0.1429630918       -2.9913362235       -1.5114286312
O             3.1751384742        2.3265135751        0.1728958365
H             2.3983781998        2.9137825499        0.2309173051
H             2.9439035299        1.6977661139       -0.5357279440
O             0.5692355044        0.6832919459        2.5163408914
H             1.5384797932        0.6561083761        2.5679439428
H             0.3571559188        0.4133730292        1.5951746678
O            -3.0631838187       -0.7604689812       -2.1531620588
H            -2.8394363206        0.0970215819       -1.7391239966
H            -2.2754399725       -0.9890579748       -2.6708201688
    63
 Energy=    -106.840126157520
O             0.7832002095        1.2741006696       -3.5906240397
H             1.3384311894        0.9933536402       -2.8113494032
H             1.3927202639        1.5393587040       -4.2794177263
O            -0.5563623861        3.0931263382        2.1626589054
H            -1.4676434758        2.8262117447        1.9542680188
H            -0.1202343145        2.2647643196        2.4527858776
O            -0.6323555176        3.2135657449       -2.0966069522
H            -0.1363093083        2.6274854023       -2.6873533825
H            -0.0321466121        3.4432873906       -1.3617806014
O             0.8729789236        3.8204745718        0.1189398222
H             0.3029753766        3.5284901275        0.8914922252
H             0.9873413103        4.7648427162        0.2273884123
O            -3.2423762535       -0.4643262837        2.2402339968
H            -2.4879157264       -0.7772919585        2.7861045404
H            -3.2805697417       -1.0558825204        1.4723000024
O            -2.0616063740        1.3661956663       -0.8740846902
H            -1.6501929470        2.1266160497       -1.3509240268
H            -2.4739196306        1.7173637718       -0.0636950860
O            -1.0245891235       -1.2754432515        3.5342214682
H            -0.4629996210       -0.4986787732        3.3582830907
H            -0.5298373106       -2.0234095286        3.1704264869
O             0.6551311907       -3.1448442861        2.2690030420
H             1.4820017603       -2.6755620017        1.9785910183
H             0.9382116852       -3.9871904315        2.6238848283
O            -0.6643213740       -2.6155911516       -0.0129579087
H            -1.6329694978       -2.5874445657        0.0932636276
H            -0.2804097125       -2.9071242364        0.8357242468
O             2.9417911842       -2.0876849981       -1.4224671556
H             2.0857772264       -2.4605115988       -1.7790851040
H             3.6425350696       -2.6420812096       -1.7644215161
O             2.1141232162        0.4764321776       -1.4990972004
H             2.5559191630       -0.3894224268       -1.5452802515
H             1.3344169816        0.3232872999       -0.9026780752
O            -0.7326453109       -0.9719023508       -3.7114250561
H            -1.0178298170       -1.0592460282       -4.6215590513
H            -0.2560000923       -0.1175171493       -3.6459158172
O            -3.3213110866       -2.1853939960        0.0264928195
H            -3.2753528382       -1.6486414611       -0.8136873725
H            -4.0836250899       -2.7574733386       -0.0579395920
O             3.2702120086        0.6293082601        2.1619310860
H             3.9826900003        0.8769445400        2.7501371322
H             3.2704048516        1.2964898213        1.4187545350
O            -3.0347354830        2.0366775954        1.5496566479
H            -3.8641587909        2.4385994935        1.8064371892
H            -3.0845344569        1.0848354045        1.8571102999
O             2.8464484733       -1.9989325431        1.3703425826
H             3.0036119752       -1.0810719923        1.6492294439
H             2.8709814500       -2.0010839859        0.3988179808
O             0.0156120504       -0.0266597485       -0.0077679414
H            -0.7724022047        0.4739967805       -0.3293689579
H            -0.2244956542       -0.9784042914       -0.0443067446
O             0.6584564296       -2.9594845983       -2.3395610532
H             0.2056696791       -2.2958098528       -2.8847788463
H             0.1437033606       -2.9901969427       -1.5114143081
O             3.1749099150        2.3261130473        0.1748862955
H             2.3984802227        2.9138845504        0.2319640449
H             2.9441274203        1.6977281457       -0.5342922822
O             0.5694013998        0.6838693949        2.5178072054
H             1.5386515833        0.6556711421        2.5694251686
H             0.3574404256        0.4135131429        1.5967693250
O            -3.0633077077       -0.7599472181       -2.1530791139
H            -2.8393396107        0.0973028640       -1.7386492034
H            -2.2753478248       -0.9888781968       -2.6702534279
    63
 Energy=    -106.840118382420
O             0.7807899305        1.2714928290       -3.5898940311
H             1.3369095483        0.9910456693       -2.8112090104
H             1.3893709013        1.5311520524       -4.2817699241
O            -0.5557911153        3.0923400617        2.1613619519
H            -1.4668693133        2.8253338373        1.9522303027
H            -0.1198707789        2.2643267290        2.4528064425
O            -0.6328038813        3.2143436409       -2.0959283081
H            -0.1374787042        2.6286474692       -2.6876110441
H            -0.0324508064        3.4419582195       -1.3604179184
O             0.8733763411        3.8198406173        0.1183463956
H             0.3035700422        3.5283107732        0.8912451115
H             0.9843265850        4.7649650860        0.2236461945
O            -3.2410053720       -0.4627295223        2.2384408329
H            -2.4869911919       -0.7766395571        2.7842393770
H            -3.2807089707       -1.0550132595        1.4711259582
O            -2.0622962614        1.3672640324       -0.8740153971
H            -1.6510407717        2.1276061375       -1.3512569193
H            -2.4746058641        1.7187007620       -0.0638305130
O            -1.0252556014       -1.2773542176        3.5351236293
H            -0.4632801253       -0.5003968258        3.3606733771
H            -0.5307632754       -2.0245361854        3.1693477417
O             0.6561203097       -3.1443134234        2.2663325919
H             1.4831127324       -2.6749667197        1.9762882188
H             0.9391287074       -3.9869328480        2.6207006738
O            -0.6649738640       -2.6120612972       -0.0142363436
H            -1.6337190795       -2.5858064787        0.0919108488
H            -0.2805574258       -2.9050222627        0.8336830226
O             2.9427627882       -2.0874005137       -1.4227429870
H             2.0874069271       -2.4610733134       -1.7799821584
H             3.6451523509       -2.6373515551       -1.7685704792
O             2.1138586165        0.4762332970       -1.4985485463
H             2.5555539378       -0.3897087721       -1.5446745102
H             1.3347111009        0.3236312996       -0.9011933534
O            -0.7333167761       -0.9747383924       -3.7111226679
H            -1.0193923300       -1.0612231736       -4.6210263402
H            -0.2573483461       -0.1198540128       -3.6448551028
O            -3.3218160689       -2.1858692447        0.0255721242
H            -3.2761764149       -1.6482820960       -0.8141179374
H            -4.0833613649       -2.7587935218       -0.0594641217
O             3.2704192754        0.6289626440        2.1647111809
H             3.9837214504        0.8757551425        2.7522917862
H             3.2712397388        1.2955537850        1.4210940474
O            -3.0356768668        2.0389740483        1.5492492490
H            -3.8650688750        2.4402882640        1.8070977009
H            -3.0848579818        1.0870277320        1.8561563726
O             2.8481881296       -1.9985682403        1.3704281021
H             3.0043871442       -1.0806621763        1.6498223077
H             2.8738704831       -2.0011224828        0.3989524611
O             0.0159094587       -0.0242180664       -0.0062453130
H            -0.7725565703        0.4751071000       -0.3287577893
H            -0.2226319213       -0.9763866697       -0.0437816928
O             0.6590206716       -2.9603203699       -2.3389327248
H             0.2056688809       -2.2978890526       -2.8852834225
H             0.1442764207       -2.9897166871       -1.5106350161
O             3.1755325906        2.3258577350        0.1766989734
H             2.3986828127        2.9130634621        0.2343718503
H             2.9454147478        1.6982231922       -0.5332380689
O             0.5688720902        0.6825236682        2.5209605625
H             1.5380382706        0.6552031161        2.5740528590
H             0.3584002734        0.4134180263        1.5992610594
O            -3.0636687735       -0.7583547360       -2.1528677512
H            -2.8388555335        0.0984970509       -1.7379331256
H            -2.2760919306       -0.9875842025       -2.6705713140
    63
 Energy=    -106.840105698570
O             0.7781648594        1.2682697957       -3.5887136530
H             1.3352281470        0.9891679742       -2.8102881590
H             1.3857444046        1.5293317134       -4.2807247091
O            -0.5556139340        3.0912756761        2.1610937381
H            -1.4666309739        2.8249495189        1.9517561427
H            -0.1203045479        2.2630441987        2.4531706513
O            -0.6312342800        3.2146901942       -2.0970518163
H            -0.1366698852        2.6265078484       -2.6869515999
H            -0.0316239559        3.4411761534       -1.3605909427
O             0.8729321424        3.8193118777        0.1165751113
H             0.3046410879        3.5265362148        0.8899922512
H             0.9779884329        4.7654657808        0.2191146469
O            -3.2395898101       -0.4617241618        2.2365212165
H            -2.4862513629       -0.7769071963        2.7826674385
H            -3.2796941426       -1.0532567321        1.4690112796
O            -2.0619198468        1.3689134728       -0.8740731657
H            -1.6503934991        2.1284656367       -1.3526726402
H            -2.4749085781        1.7219874887       -0.0650779446
O            -1.0262614218       -1.2793830047        3.5349905953
H            -0.4634730969       -0.5021222521        3.3635039125
H            -0.5317345224       -2.0259711479        3.1676769225
O             0.6562465190       -3.1438395636        2.2637350758
H             1.4828994280       -2.6735231074        1.9746493316
H             0.9403478204       -3.9859993289        2.6185109390
O            -0.6646737684       -2.6106893646       -0.0157981492
H            -1.6331449927       -2.5830439187        0.0899080770
H            -0.2807437712       -2.9032696034        0.8326968279
O             2.9440835078       -2.0857317314       -1.4237083662
H             2.0888719250       -2.4619206783       -1.7784161908
H             3.6472577150       -2.6322714411       -1.7735425890
O             2.1141813973        0.4760552650       -1.4989723350
H             2.5547000180       -0.3907030917       -1.5448032603
H             1.3356963293        0.3250798318       -0.9005633951
O            -0.7356438196       -0.9766686548       -3.7104509305
H            -1.0205411670       -1.0616387824       -4.6208106790
H            -0.2584882619       -0.1224221903       -3.6434446647
O            -3.3227977450       -2.1861373951        0.0255392461
H            -3.2776546995       -1.6480606795       -0.8138452363
H            -4.0831234828       -2.7603546068       -0.0602894706
O             3.2715847460        0.6284929950        2.1677222300
H             3.9856432580        0.8742204748        2.7548615288
H             3.2722116198        1.2954200598        1.4245083735
O            -3.0365928588        2.0409036848        1.5485853484
H            -3.8665203506        2.4408456403        1.8069008563
H            -3.0843133264        1.0885614525        1.8544509300
O             2.8500435251       -1.9982816680        1.3704461042
H             3.0059430005       -1.0803821546        1.6500347401
H             2.8757082120       -2.0001737120        0.3990009681
O             0.0158315609       -0.0221117047       -0.0040498674
H            -0.7717014969        0.4783475308       -0.3270093690
H            -0.2239477181       -0.9738984081       -0.0433394601
O             0.6606241741       -2.9626165053       -2.3381610808
H             0.2075501584       -2.3012656592       -2.8859714129
H             0.1449212837       -2.9909640907       -1.5102458463
O             3.1761073519        2.3241755574        0.1777763495
H             2.4000262511        2.9121855188        0.2343783836
H             2.9463116044        1.6969978072       -0.5324922515
O             0.5687181776        0.6816146953        2.5239585188
H             1.5380949581        0.6542397563        2.5778375218
H             0.3583978113        0.4125896314        1.6023691172
O            -3.0656757108       -0.7566785585       -2.1518682395
H            -2.8402413766        0.0999685734       -1.7366279077
H            -2.2780819238       -0.9860233255       -2.6698795627
    63
 Energy=    -106.840088619630
O             0.7743936546        1.2654252463       -3.5873002667
H             1.3325374465        0.9876609049       -2.8086857248
H             1.3816362433        1.5220053465       -4.2815070533
O            -0.5553635996        3.0900561299        2.1626794644
H            -1.4673426851        2.8257006004        1.9544098706
H            -0.1213591848        2.2617880988        2.4559460660
O            -0.6293101339        3.2156126247       -2.0982966232
H            -0.1352788931        2.6265263825       -2.6879074831
H            -0.0288804156        3.4415631810       -1.3622438672
O             0.8728656553        3.8178903617        0.1178550684
H             0.3047557827        3.5241086101        0.8910043730
H             0.9722445624        4.7648879110        0.2183092915
O            -3.2381187170       -0.4601822405        2.2340879579
H            -2.4860101764       -0.7763735868        2.7813214819
H            -3.2783679942       -1.0523606345        1.4667701578
O            -2.0608693270        1.3712541026       -0.8752627323
H            -1.6487813021        2.1305233369       -1.3535885160
H            -2.4748849345        1.7247473042       -0.0669375651
O            -1.0275549335       -1.2817325085        3.5337585551
H            -0.4647771760       -0.5044094063        3.3647961954
H            -0.5319131039       -2.0274149644        3.1665836276
O             0.6567763468       -3.1419888616        2.2631866232
H             1.4835397695       -2.6722567456        1.9732594215
H             0.9404505233       -3.9848274516        2.6165235935
O            -0.6650540071       -2.6080512979       -0.0168186027
H            -1.6338693433       -2.5819701557        0.0890384509
H            -0.2811096386       -2.9023536109        0.8308913301
O             2.9448322171       -2.0841825235       -1.4239018577
H             2.0899590077       -2.4614668666       -1.7785441446
H             3.6487253349       -2.6266614161       -1.7784461467
O             2.1126345477        0.4773141267       -1.4987906963
H             2.5529806554       -0.3895255722       -1.5451626602
H             1.3343946499        0.3263998508       -0.8997527079
O            -0.7364496434       -0.9813612544       -3.7103039210
H            -1.0227333560       -1.0627131650       -4.6206122431
H            -0.2615438254       -0.1260597154       -3.6398333301
O            -3.3221625332       -2.1858552555        0.0243238525
H            -3.2790851780       -1.6470027011       -0.8147952303
H            -4.0821228125       -2.7608470132       -0.0601741355
O             3.2720718473        0.6283915911        2.1702973201
H             3.9870930709        0.8733202501        2.7565284355
H             3.2727714764        1.2946939566        1.4265761833
O            -3.0370871590        2.0424750366        1.5474504281
H            -3.8677898611        2.4411090306        1.8052180049
H            -3.0834883053        1.0899749117        1.8531073657
O             2.8501410513       -1.9969156010        1.3696309689
H             3.0082633689       -1.0798223792        1.6506496446
H             2.8773250143       -1.9978840720        0.3983386270
O             0.0162033778       -0.0195048876       -0.0026716908
H            -0.7708010523        0.4824806663       -0.3246112644
H            -0.2250243410       -0.9708015796       -0.0429434451
O             0.6636459032       -2.9651624437       -2.3379690792
H             0.2093861145       -2.3053792797       -2.8864957590
H             0.1481107474       -2.9928402679       -1.5100993442
O             3.1779552331        2.3220457095        0.1787490109
H             2.4033586533        2.9120584701        0.2338172397
H             2.9466901785        1.6942449226       -0.5306618039
O             0.5697813590        0.6801143764        2.5267591629
H             1.5389791078        0.6531795886        2.5785350541
H             0.3581947833        0.4123154557        1.6049519557
O            -3.0676224130       -0.7552741088       -2.1518374289
H            -2.8410859328        0.1009617256       -1.7367263040
H            -2.2803446037       -0.9868906420       -2.6689636755
    63
 Energy=    -106.840078955660
O             0.7737220242        1.2649239501       -3.5868014289
H             1.3316488719        0.9871932415       -2.8083750933
H             1.3807809051        1.5214423614       -4.2811793247
O            -0.5553058777        3.0895852662        2.1635732461
H            -1.4674592168        2.8255777050        1.9551463156
H            -0.1211990999        2.2613717876        2.4569533935
O            -0.6283416264        3.2160246196       -2.0993215595
H            -0.1353238291        2.6262670911       -2.6892557842
H            -0.0277141659        3.4410239237       -1.3632381968
O             0.8727569731        3.8171547464        0.1182484348
H             0.3047436974        3.5230805231        0.8914078002
H             0.9715212939        4.7641803490        0.2185943103
O            -3.2377728255       -0.4600712614        2.2333592586
H            -2.4859553912       -0.7761099721        2.7808881746
H            -3.2782217488       -1.0522091436        1.4661469003
O            -2.0605633801        1.3719557691       -0.8757879086
H            -1.6483325753        2.1312545713       -1.3538534428
H            -2.4744437179        1.7254365169       -0.0674664070
O            -1.0281264104       -1.2823482842        3.5337409616
H            -0.4648588538       -0.5046587508        3.3646892164
H            -0.5319562474       -2.0280198561        3.1661935161
O             0.6568578663       -3.1417566045        2.2628162462
H             1.4838615082       -2.6720776284        1.9730949682
H             0.9404302163       -3.9842652626        2.6162034360
O            -0.6647411551       -2.6073525786       -0.0173157902
H            -1.6335737545       -2.5817277184        0.0884284791
H            -0.2807934711       -2.9016238108        0.8302210755
O             2.9452475610       -2.0833484736       -1.4245041614
H             2.0906402320       -2.4614854379       -1.7790778240
H             3.6489872940       -2.6250517039       -1.7795124073
O             2.1120215913        0.4778065856       -1.4981145075
H             2.5521075665       -0.3890070698       -1.5448202569
H             1.3339197794        0.3264827930       -0.8990518881
O            -0.7373701619       -0.9829944939       -3.7093926331
H            -1.0239023472       -1.0636869665       -4.6195897541
H            -0.2624899804       -0.1275468741       -3.6392883302
O            -3.3217946797       -2.1856456983        0.0239513353
H            -3.2795453684       -1.6466511878       -0.8149186807
H            -4.0821920644       -2.7608770189       -0.0600930958
O             3.2721714423        0.6284331410        2.1706634154
H             3.9874831991        0.8735020381        2.7567849785
H             3.2730513671        1.2945940674        1.4267485328
O            -3.0370670817        2.0426974817        1.5470513926
H            -3.8681462058        2.4414121145        1.8042584622
H            -3.0831557054        1.0900763660        1.8523280033
O             2.8502688479       -1.9966065773        1.3696663150
H             3.0084637614       -1.0794921587        1.6505885460
H             2.8776736737       -1.9971096455        0.3983295835
O             0.0159812854       -0.0187948902       -0.0021486445
H            -0.7710054239        0.4831293511       -0.3244021188
H            -0.2252622817       -0.9701093357       -0.0427186955
O             0.6640693373       -2.9660419987       -2.3379977921
H             0.2096503483       -2.3064002819       -2.8869568257
H             0.1488620333       -2.9934307658       -1.5097146634
O             3.1784720956        2.3218151816        0.1790187260
H             2.4040609938        2.9118535707        0.2342532792
H             2.9463968418        1.6938906668       -0.5298623304
O             0.5702062862        0.6797919717        2.5273341663
H             1.5392173493        0.6529372730        2.5793211236
H             0.3580411760        0.4123352192        1.6054600572
O            -3.0682862434       -0.7547309119       -2.1517169470
H            -2.8409728371        0.1018939915       -1.7369299772
H            -2.2809325925       -0.9871342721       -2.6685477024
    63
 Energy=    -106.840037420740
O             0.7670614540        1.2552530355       -3.5879218006
H             1.3260061385        0.9844472636       -2.8072406607
H             1.3730743441        1.5192151103       -4.2804418079
O            -0.5546620911        3.0871358382        2.1711788060
H            -1.4664855660        2.8230768770        1.9627705821
H            -0.1209671454        2.2590562171        2.4648521520
O            -0.6205897519        3.2180770528       -2.1055552421
H            -0.1324438882        2.6235985426       -2.6951068287
H            -0.0186133525        3.4379523443       -1.3691727996
O             0.8723417487        3.8107742752        0.1233356998
H             0.3038387436        3.5160376315        0.8956566806
H             0.9685036371        4.7580836456        0.2246844915
O            -3.2362390486       -0.4581208313        2.2280811958
H            -2.4857345109       -0.7754003371        2.7767455727
H            -3.2766112237       -1.0517986136        1.4618820290
O            -2.0566894091        1.3783466079       -0.8799657441
H            -1.6439499043        2.1374302448       -1.3578956748
H            -2.4708321021        1.7312847462       -0.0713887150
O            -1.0297830599       -1.2851075688        3.5316347262
H            -0.4661454171       -0.5079546493        3.3641539263
H            -0.5337213550       -2.0305139060        3.1645817602
O             0.6579951938       -3.1400314473        2.2583627925
H             1.4857123862       -2.6697562182        1.9719853270
H             0.9400758433       -3.9817988500        2.6151169355
O            -0.6615950557       -2.6033560605       -0.0214523444
H            -1.6306100124       -2.5802274258        0.0830128692
H            -0.2773162822       -2.8959217460        0.8267289878
O             2.9461747648       -2.0758698837       -1.4302244133
H             2.0933395811       -2.4584898398       -1.7842578635
H             3.6539458373       -2.6122951401       -1.7864542641
O             2.1064788237        0.4805974433       -1.4935893543
H             2.5477944111       -0.3859930404       -1.5401291325
H             1.3286819897        0.3298554801       -0.8935674952
O            -0.7445286301       -0.9939188936       -3.7031330423
H            -1.0351930559       -1.0765347094       -4.6119083265
H            -0.2679090946       -0.1393032471       -3.6354168997
O            -3.3209322530       -2.1849412209        0.0218501919
H            -3.2825272849       -1.6434233859       -0.8159209267
H            -4.0816355564       -2.7596156174       -0.0594469964
O             3.2748499313        0.6285339320        2.1720466671
H             3.9892295570        0.8752720337        2.7583656216
H             3.2752018181        1.2943905485        1.4276129335
O            -3.0360973042        2.0449072478        1.5421854066
H            -3.8689801603        2.4415540073        1.7959751990
H            -3.0823047066        1.0922190313        1.8471228033
O             2.8526232735       -1.9932349130        1.3683753497
H             3.0088079558       -1.0763973132        1.6514802238
H             2.8789881761       -1.9920071157        0.3971427689
O             0.0116974366       -0.0141635776        0.0029005442
H            -0.7740271345        0.4868269732       -0.3246763306
H            -0.2269550451       -0.9658181419       -0.0411140931
O             0.6685391955       -2.9721269598       -2.3372968816
H             0.2105504680       -2.3170556396       -2.8880816762
H             0.1541116941       -2.9960228806       -1.5084374429
O             3.1814509071        2.3206844277        0.1807208136
H             2.4080472852        2.9115868592        0.2395701204
H             2.9444823231        1.6916274897       -0.5257430245
O             0.5708122424        0.6766078697        2.5324702259
H             1.5398638448        0.6513344147        2.5840091957
H             0.3593258315        0.4133838890        1.6092135910
O            -3.0726713668       -0.7489421046       -2.1506532044
H            -2.8396686175        0.1079896950       -1.7405773324
H            -2.2866763488       -0.9902418920       -2.6655263958
    63
 Energy=    -106.839959748090
O             0.7623557905        1.2459150474       -3.5878565394
H             1.3202836056        0.9760907076       -2.8056504435
H             1.3696470722        1.5199554597       -4.2748196569
O            -0.5542080461        3.0845606111        2.1787522658
H            -1.4644319596        2.8182425646        1.9659981681
H            -0.1205747844        2.2567399808        2.4732569810
O            -0.6145476913        3.2213565681       -2.1116453815
H            -0.1320635681        2.6212013914       -2.7004055588
H            -0.0124661279        3.4336317800       -1.3732648348
O             0.8708497117        3.8014010622        0.1261863085
H             0.3042780796        3.5087508929        0.9007974553
H             0.9751517905        4.7476276488        0.2294682598
O            -3.2364220944       -0.4574926393        2.2241394492
H            -2.4861534108       -0.7751608215        2.7729487041
H            -3.2762334782       -1.0507878478        1.4575011036
O            -2.0567970316        1.3853818154       -0.8868973486
H            -1.6413980875        2.1431764594       -1.3647045910
H            -2.4671486199        1.7390903990       -0.0767766813
O            -1.0314108713       -1.2855561555        3.5301123135
H            -0.4656363665       -0.5094859897        3.3658862618
H            -0.5369707433       -2.0313049766        3.1610527763
O             0.6595288994       -3.1385202213        2.2569581910
H             1.4867002341       -2.6691887557        1.9674795449
H             0.9418901068       -3.9803182844        2.6133711700
O            -0.6584798926       -2.6009355619       -0.0233060102
H            -1.6276263275       -2.5784406824        0.0795041621
H            -0.2756886436       -2.8956406073        0.8248298875
O             2.9468995808       -2.0712827554       -1.4314103454
H             2.0964983197       -2.4583343499       -1.7864868658
H             3.6586198473       -2.6003587820       -1.7907432925
O             2.1007040775        0.4859430900       -1.4907692647
H             2.5423085519       -0.3804628122       -1.5370153435
H             1.3233051527        0.3366133679       -0.8894767575
O            -0.7480945811       -1.0035946074       -3.6970288482
H            -1.0477873086       -1.0896415414       -4.6024469892
H            -0.2718646538       -0.1482951275       -3.6358976329
O            -3.3186777499       -2.1851479321        0.0205684970
H            -3.2809680587       -1.6394112372       -0.8146715719
H            -4.0824514842       -2.7555964532       -0.0616284429
O             3.2749220517        0.6311481993        2.1750141126
H             3.9905314037        0.8760111511        2.7604434308
H             3.2768099707        1.2957588689        1.4293123681
O            -3.0324084089        2.0446786558        1.5376098948
H            -3.8671283476        2.4417480348        1.7845085430
H            -3.0820283060        1.0917534047        1.8415307281
O             2.8524864608       -1.9906924441        1.3650395319
H             3.0104840791       -1.0743040469        1.6497437415
H             2.8798159906       -1.9890832096        0.3941787619
O             0.0081835258       -0.0118004605        0.0070431832
H            -0.7754583259        0.4904299647       -0.3224651892
H            -0.2300425804       -0.9636911344       -0.0403846948
O             0.6727424058       -2.9784522367       -2.3396857302
H             0.2111559686       -2.3250467172       -2.8891398302
H             0.1613038009       -3.0009122966       -1.5088405485
O             3.1809554476        2.3222418749        0.1829122294
H             2.4047575444        2.9096340449        0.2461400389
H             2.9452334318        1.6978915803       -0.5278398221
O             0.5732639241        0.6771632476        2.5376182818
H             1.5424702911        0.6493492897        2.5869826738
H             0.3594786749        0.4138023742        1.6151466854
O            -3.0772557699       -0.7441354860       -2.1480023882
H            -2.8442431341        0.1129064276       -1.7379918597
H            -2.2904382400       -0.9863621887       -2.6612737649
    63
 Energy=    -106.839904018390
O             0.7571383281        1.2417214435       -3.5879044568
H             1.3119333840        0.9722705751       -2.8032613467
H             1.3684342410        1.5068518451       -4.2751595212
O            -0.5540680100        3.0830961962        2.1839712508
H            -1.4637806499        2.8167577517        1.9678372641
H            -0.1192072963        2.2563995819        2.4805391438
O            -0.6132086995        3.2249797398       -2.1153994948
H            -0.1317465517        2.6248047572       -2.7039049261
H            -0.0128992266        3.4341718817       -1.3746805052
O             0.8707741907        3.7922106471        0.1305944443
H             0.3020461629        3.5040403749        0.9055799634
H             0.9840182752        4.7372602138        0.2334959615
O            -3.2380002535       -0.4571247270        2.2214532052
H            -2.4876715285       -0.7732144977        2.7709215234
H            -3.2764017958       -1.0514715159        1.4553394569
O            -2.0564084990        1.3890636361       -0.8909963662
H            -1.6426953569        2.1464610428       -1.3702914509
H            -2.4669777949        1.7432464373       -0.0805882516
O            -1.0330328459       -1.2855836756        3.5284090688
H            -0.4662200848       -0.5092349528        3.3683623310
H            -0.5379592915       -2.0301798109        3.1582351733
O             0.6599933887       -3.1391464203        2.2547898695
H             1.4860340788       -2.6673700404        1.9665377019
H             0.9452277966       -3.9799538259        2.6116530258
O            -0.6581291739       -2.6032401998       -0.0247812675
H            -1.6269602881       -2.5801745467        0.0798049948
H            -0.2758488358       -2.8969735465        0.8238892247
O             2.9469675896       -2.0658612632       -1.4321508749
H             2.0986803685       -2.4584118993       -1.7860618089
H             3.6605093370       -2.5924602415       -1.7910691010
O             2.0969552543        0.4889520926       -1.4895059250
H             2.5367750752       -0.3782498404       -1.5354745808
H             1.3212175583        0.3397810974       -0.8863725676
O            -0.7510871421       -1.0085593759       -3.6936874700
H            -1.0541894180       -1.0945270431       -4.5983812614
H            -0.2737738660       -0.1539017959       -3.6355934178
O            -3.3170500589       -2.1831340761        0.0200137786
H            -3.2766094803       -1.6384423479       -0.8160884930
H            -4.0821006010       -2.7516979549       -0.0633341867
O             3.2769582953        0.6302670220        2.1741430840
H             3.9898847213        0.8774399996        2.7616833629
H             3.2765817340        1.2979137118        1.4312420787
O            -3.0291845919        2.0435002653        1.5330907687
H            -3.8646154811        2.4419043463        1.7753727743
H            -3.0801127796        1.0909529153        1.8387598526
O             2.8534255118       -1.9897264242        1.3616162689
H             3.0107976227       -1.0736701739        1.6463868011
H             2.8794604926       -1.9869099834        0.3902552441
O             0.0058529769       -0.0078296856        0.0092030318
H            -0.7778613863        0.4937525750       -0.3211926484
H            -0.2297439804       -0.9601118622       -0.0392168227
O             0.6774378189       -2.9822225271       -2.3398701429
H             0.2147496912       -2.3291497523       -2.8899624544
H             0.1660407299       -3.0070348430       -1.5094585470
O             3.1817840282        2.3256709506        0.1848575434
H             2.4010657587        2.9075259140        0.2496660814
H             2.9505102917        1.7021033203       -0.5283262075
O             0.5757400061        0.6748122035        2.5414425859
H             1.5454413382        0.6499912975        2.5871804235
H             0.3583424054        0.4137881603        1.6192802553
O            -3.0787606227       -0.7407250626       -2.1465124645
H            -2.8484480176        0.1166998759       -1.7357894052
H            -2.2895137423       -0.9813403586       -2.6570820898
    63
 Energy=    -106.839712846730
O             0.7498241749        1.2329688630       -3.5889766584
H             1.3082576334        0.9762448987       -2.8036479435
H             1.3595566882        1.4724676030       -4.2889086649
O            -0.5542188475        3.0823394715        2.1949081873
H            -1.4630243011        2.8148012222        1.9762025690
H            -0.1166208188        2.2560583635        2.4884423657
O            -0.6120600970        3.2289160213       -2.1153701662
H            -0.1193399907        2.6274935808       -2.6949225551
H            -0.0234483726        3.4420692080       -1.3668039887
O             0.8615426904        3.7815713499        0.1346350103
H             0.2940291084        3.4968277091        0.9123639817
H             1.0016373300        4.7218008163        0.2491334216
O            -3.2403060788       -0.4533855592        2.2188309236
H            -2.4927714701       -0.7716007788        2.7707780719
H            -3.2797808958       -1.0503524765        1.4547902990
O            -2.0577254443        1.3948514771       -0.8981723462
H            -1.6442145352        2.1522406331       -1.3782804967
H            -2.4666655976        1.7480771798       -0.0868662142
O            -1.0364764712       -1.2861924778        3.5256904440
H            -0.4709440981       -0.5078213914        3.3741750350
H            -0.5371195374       -2.0275225123        3.1539886271
O             0.6630798777       -3.1391233042        2.2548087181
H             1.4864277121       -2.6634658278        1.9651375344
H             0.9540315639       -3.9801739205        2.6074001045
O            -0.6532186654       -2.6051904104       -0.0287388011
H            -1.6222545894       -2.5889095660        0.0734931384
H            -0.2695040478       -2.9014420364        0.8182332110
O             2.9474625149       -2.0540485376       -1.4340649244
H             2.1008304867       -2.4535131584       -1.7850960540
H             3.6636879761       -2.5796217838       -1.7888631853
O             2.0940206814        0.4993368405       -1.4842016962
H             2.5307342438       -0.3688393294       -1.5381350876
H             1.3211729763        0.3486070106       -0.8784706851
O            -0.7504517784       -1.0203327910       -3.6965812776
H            -1.0651687851       -1.1061858428       -4.5963469418
H            -0.2806725959       -0.1606826605       -3.6386376147
O            -3.3143810977       -2.1825011750        0.0178807389
H            -3.2778662765       -1.6328070606       -0.8151817335
H            -4.0819771552       -2.7476407383       -0.0631251878
O             3.2798311293        0.6295544159        2.1686847973
H             3.9863258248        0.8806810122        2.7628219996
H             3.2822231958        1.2995405026        1.4277805922
O            -3.0215453619        2.0434396442        1.5251254045
H            -3.8606424080        2.4400954223        1.7616244649
H            -3.0737057543        1.0902938154        1.8281048443
O             2.8504585748       -1.9888982340        1.3565872847
H             3.0118404115       -1.0735293645        1.6406962123
H             2.8743844477       -1.9875182463        0.3849542810
O            -0.0023324017       -0.0067489632        0.0159119995
H            -0.7818276671        0.4955193706       -0.3222830932
H            -0.2398189681       -0.9582762620       -0.0358230135
O             0.6831601232       -2.9887282395       -2.3338917259
H             0.2224588120       -2.3368219433       -2.8857926844
H             0.1662098033       -3.0144125815       -1.5062912588
O             3.1853679979        2.3303506792        0.1862103473
H             2.3946135732        2.8992379912        0.2475336355
H             2.9643779020        1.6981398732       -0.5228942264
O             0.5798051318        0.6778054949        2.5467038657
H             1.5494771471        0.6491576490        2.5878059048
H             0.3571930529        0.4167286030        1.6255687605
O            -3.0786550633       -0.7331376146       -2.1457073111
H            -2.8522211842        0.1271417307       -1.7390918808
H            -2.2865513288       -0.9741760630       -2.6523298793
    63
 Energy=    -106.839694568750
O             0.7470636610        1.2336128051       -3.5881094012
H             1.3060917842        0.9791882424       -2.8023249206
H             1.3555709443        1.4446825117       -4.2951709452
O            -0.5544276273        3.0831165851        2.1996248017
H            -1.4632441462        2.8154332207        1.9807039258
H            -0.1169672735        2.2562146320        2.4918761026
O            -0.6149002638        3.2340746376       -2.1130397382
H            -0.1227212028        2.6364817590       -2.6969788260
H            -0.0243561440        3.4437522660       -1.3643007600
O             0.8628130199        3.7794671972        0.1394379423
H             0.2929934724        3.4949369284        0.9155423703
H             1.0046123954        4.7192635200        0.2555714392
O            -3.2412392555       -0.4531474830        2.2186178252
H            -2.4936154318       -0.7713287229        2.7703351252
H            -3.2798861545       -1.0492212809        1.4538171862
O            -2.0583137162        1.3957195788       -0.8999946319
H            -1.6439186210        2.1538548543       -1.3784924345
H            -2.4660167472        1.7481094972       -0.0879910094
O            -1.0366151886       -1.2859859599        3.5256267559
H            -0.4714040841       -0.5073149966        3.3734051133
H            -0.5373495040       -2.0271497533        3.1537812337
O             0.6634071602       -3.1394450534        2.2537663285
H             1.4864967935       -2.6624945136        1.9649128971
H             0.9547336856       -3.9797117209        2.6065529415
O            -0.6522112635       -2.6067432984       -0.0288967009
H            -1.6210974983       -2.5893391656        0.0725284791
H            -0.2686841564       -2.9012367079        0.8190793767
O             2.9476239276       -2.0517313002       -1.4353084822
H             2.1011204409       -2.4526776416       -1.7851423606
H             3.6644928805       -2.5779577480       -1.7878324573
O             2.0925322420        0.5021049375       -1.4828777412
H             2.5301862779       -0.3656041469       -1.5378866763
H             1.3195685335        0.3503097374       -0.8773117686
O            -0.7475378252       -1.0227793566       -3.6977348565
H            -1.0654090496       -1.1056221822       -4.5968175594
H            -0.2823052678       -0.1607447641       -3.6366264625
O            -3.3143072266       -2.1813189653        0.0177281517
H            -3.2772208324       -1.6319991045       -0.8153662496
H            -4.0818820684       -2.7463518396       -0.0638086228
O             3.2810438443        0.6292845025        2.1675450258
H             3.9851528969        0.8810340168        2.7639463394
H             3.2837033985        1.2992172676        1.4263045722
O            -3.0214027779        2.0440530749        1.5240112887
H            -3.8601388952        2.4399127992        1.7591341038
H            -3.0732520607        1.0909201584        1.8279312487
O             2.8511386535       -1.9888483396        1.3555835712
H             3.0117283283       -1.0733332631        1.6396887972
H             2.8727996156       -1.9858848012        0.3838044776
O            -0.0033107418       -0.0071491479        0.0152534281
H            -0.7826428680        0.4963398818       -0.3225298685
H            -0.2408952272       -0.9582858704       -0.0350789182
O             0.6844071103       -2.9899466656       -2.3334544298
H             0.2226241654       -2.3391228730       -2.8855014255
H             0.1684960018       -3.0135061052       -1.5050432498
O             3.1872286184        2.3289278763        0.1850777984
H             2.3961000642        2.8971339347        0.2464837760
H             2.9655870697        1.6982467716       -0.5248030664
O             0.5797115251        0.6773335488        2.5468672729
H             1.5495346083        0.6493289410        2.5868290506
H             0.3565652307        0.4182660355        1.6257498550
O            -3.0769881881       -0.7337320614       -2.1492349146
H            -2.8496884944        0.1268156924       -1.7422335929
H            -2.2846674454       -0.9766649797       -2.6537170522
    63
 Energy=    -106.839246853350
O             0.7165594838        1.1890738144       -3.6181416553
H             1.2864506282        0.9717267032       -2.8300175055
H             1.3101449890        1.2751572524       -4.3632338395
O            -0.5622005359        3.0873855941        2.2448564410
H            -1.4693905457        2.8198045015        2.0198396698
H            -0.1253508981        2.2571519091        2.5269093325
O            -0.5884341511        3.2643524075       -2.0737768181
H            -0.0918387147        2.6773102324       -2.6581466976
H            -0.0087222160        3.4716204242       -1.3151910508
O             0.8678801109        3.7861513551        0.1930722263
H             0.2976896206        3.4914372187        0.9652531311
H             1.0236283734        4.7206651556        0.3301010981
O            -3.2434157531       -0.4490792418        2.2148836805
H            -2.4954489303       -0.7685442031        2.7651072242
H            -3.2783949203       -1.0398711010        1.4454987911
O            -2.0559260924        1.4013066474       -0.9177074861
H            -1.6302169805        2.1601266718       -1.3827381159
H            -2.4609720381        1.7517251341       -0.1019115816
O            -1.0384705141       -1.2809557285        3.5209634961
H            -0.4701845489       -0.5061743194        3.3632046103
H            -0.5411520553       -2.0275456131        3.1565760081
O             0.6674804745       -3.1310923135        2.2576607835
H             1.4902834984       -2.6610152372        1.9566355675
H             0.9541026381       -3.9781502637        2.5992531002
O            -0.6540083408       -2.6085557787       -0.0224775194
H            -1.6233265814       -2.5919109137        0.0778284134
H            -0.2713891669       -2.9005337500        0.8271940578
O             2.9432550347       -2.0188761678       -1.4401765656
H             2.1002135285       -2.4219773896       -1.7974193419
H             3.6650247449       -2.5460051105       -1.7819311598
O             2.0718607474        0.5212040574       -1.4948760504
H             2.5244384202       -0.3403880701       -1.5233398401
H             1.2974653028        0.3686877416       -0.8908279570
O            -0.7575474160       -1.0558186776       -3.7020316429
H            -1.0658095506       -1.1383445758       -4.6055635364
H            -0.2825500626       -0.1956731391       -3.6428343749
O            -3.3099004447       -2.1692324599        0.0118938260
H            -3.2711630738       -1.6251503746       -0.8248942851
H            -4.0775923827       -2.7350040444       -0.0685434716
O             3.2810485772        0.6296567981        2.1655076606
H             3.9780813531        0.8829595428        2.7698751346
H             3.2892570246        1.2921373796        1.4182613944
O            -3.0165607129        2.0500127186        1.5222667492
H            -3.8604139453        2.4448147778        1.7398172829
H            -3.0726272043        1.0981802738        1.8289000844
O             2.8482899463       -1.9828767160        1.3438452027
H             3.0150160400       -1.0723630858        1.6381368659
H             2.8643615182       -1.9665637453        0.3715103994
O            -0.0099890824       -0.0023739884        0.0057250765
H            -0.7956567823        0.4944742151       -0.3272224052
H            -0.2397251596       -0.9560106078       -0.0368341479
O             0.6996547537       -2.9944232337       -2.3275775595
H             0.2176995738       -2.3682644796       -2.8907985567
H             0.1920976186       -3.0062160616       -1.4936525052
O             3.1997033182        2.3284347317        0.1694857935
H             2.4098101488        2.8951818467        0.2563172587
H             2.9564151203        1.7101239200       -0.5442914085
O             0.5789116923        0.6797242664        2.5387667827
H             1.5492811260        0.6500104436        2.5728590902
H             0.3504700817        0.4222212354        1.6187106078
O            -3.0688949917       -0.7481538892       -2.1661941950
H            -2.8273783688        0.1154894449       -1.7759671361
H            -2.2854122250       -1.0104065319       -2.6748889535
    63
 Energy=    -106.839199015050
O             0.7139349177        1.1831487987       -3.6223390233
H             1.2830964547        0.9663795389       -2.8322040204
H             1.3062808065        1.2615842920       -4.3711473618
O            -0.5628269090        3.0876673694        2.2493723982
H            -1.4699236228        2.8204605003        2.0227788951
H            -0.1268254607        2.2566210182        2.5308774997
O            -0.5852335055        3.2669616139       -2.0706042279
H            -0.0867046909        2.6828260434       -2.6549405974
H            -0.0067674501        3.4759859142       -1.3120524833
O             0.8689277033        3.7860847832        0.1978301974
H             0.2994092331        3.4925520094        0.9705980543
H             1.0245095386        4.7204790581        0.3366565231
O            -3.2438511608       -0.4491297184        2.2148348826
H            -2.4948371187       -0.7677316002        2.7644436123
H            -3.2779204284       -1.0386864265        1.4447356196
O            -2.0569767899        1.4011856620       -0.9190994992
H            -1.6297351645        2.1613644668       -1.3816262406
H            -2.4603891404        1.7504227434       -0.1024510354
O            -1.0382974512       -1.2808745545        3.5202906295
H            -0.4696302242       -0.5057883083        3.3615905746
H            -0.5417358642       -2.0276518114        3.1572898415
O             0.6671976610       -3.1303010622        2.2580644555
H             1.4902676822       -2.6612039130        1.9569061946
H             0.9538291314       -3.9781756275        2.5989171581
O            -0.6545752767       -2.6088513866       -0.0220221738
H            -1.6243519314       -2.5895992363        0.0783277109
H            -0.2716780762       -2.8991442963        0.8278713256
O             2.9435982658       -2.0151704912       -1.4409668361
H             2.1005968403       -2.4178368499       -1.7992693332
H             3.6657434654       -2.5430210048       -1.7807991265
O             2.0688787909        0.5211679760       -1.4984321682
H             2.5226233775       -0.3395730806       -1.5224666836
H             1.2954709338        0.3712451334       -0.8926338764
O            -0.7571567241       -1.0611901589       -3.7015991976
H            -1.0644036738       -1.1389219029       -4.6061783706
H            -0.2834998003       -0.1996864386       -3.6398702671
O            -3.3087101011       -2.1685345468        0.0109945788
H            -3.2686543797       -1.6256437766       -0.8265043894
H            -4.0774979499       -2.7335751108       -0.0693528986
O             3.2811735911        0.6290905308        2.1648408101
H             3.9773537005        0.8837517812        2.7696014041
H             3.2891092742        1.2914873841        1.4178732312
O            -3.0165612137        2.0505445231        1.5220432341
H            -3.8605045317        2.4453585310        1.7384985352
H            -3.0731648506        1.0990556700        1.8295607548
O             2.8486105070       -1.9827194244        1.3421257226
H             3.0148719778       -1.0719308660        1.6383525875
H             2.8647722559       -1.9639315209        0.3705472997
O            -0.0095101138       -0.0032015612        0.0025835837
H            -0.7969669658        0.4938453844       -0.3268098166
H            -0.2402818880       -0.9563683069       -0.0363092823
O             0.7001467378       -2.9933082999       -2.3264114990
H             0.2161484022       -2.3693008844       -2.8921603110
H             0.1916894913       -3.0067962543       -1.4937697507
O             3.2018692553        2.3297501719        0.1678019922
H             2.4119084606        2.8966458556        0.2594073219
H             2.9549444366        1.7109328155       -0.5443177749
O             0.5790890963        0.6797901614        2.5379634147
H             1.5492719748        0.6504223324        2.5718310127
H             0.3488436223        0.4225727343        1.6181698014
O            -3.0685674486       -0.7496219899       -2.1679228361
H            -2.8252068947        0.1126443333       -1.7783668574
H            -2.2847096838       -1.0138011204       -2.6774434383
    63
 Energy=    -106.839028631900
O             0.6995736249        1.1536778964       -3.6475979364
H             1.2592944467        0.9440596057       -2.8487599526
H             1.2901617846        1.2013907168       -4.4006547701
O            -0.5682359050        3.0873018904        2.2753254728
H            -1.4727118989        2.8247806039        2.0331298917
H            -0.1344393251        2.2521869312        2.5489677875
O            -0.5632063641        3.2714619623       -2.0460380237
H            -0.0572874764        2.7036611698       -2.6423936393
H             0.0168407256        3.4810859070       -1.2901691506
O             0.8843806595        3.7932045060        0.2365348399
H             0.3056841765        3.5045114565        1.0034703176
H             1.0259261311        4.7308550465        0.3721138309
O            -3.2425323859       -0.4454895601        2.2129271596
H            -2.4926625298       -0.7634995727        2.7619984009
H            -3.2759203395       -1.0342138829        1.4421850410
O            -2.0601909487        1.4016153124       -0.9250975292
H            -1.6235089217        2.1641573489       -1.3737898212
H            -2.4614653859        1.7438050543       -0.1055180461
O            -1.0384831480       -1.2781202277        3.5175413471
H            -0.4668744487       -0.5055169373        3.3545480168
H            -0.5424568978       -2.0277950614        3.1608012333
O             0.6663061786       -3.1301459041        2.2591169127
H             1.4901866224       -2.6605918219        1.9603682881
H             0.9529955851       -3.9772152016        2.5978291332
O            -0.6556528852       -2.6055644127       -0.0205553038
H            -1.6249059652       -2.5783655303        0.0812825910
H            -0.2753568284       -2.8914472751        0.8317294441
O             2.9464911371       -1.9985417313       -1.4432955484
H             2.1050064048       -2.4021568184       -1.8031518892
H             3.6694520419       -2.5263766258       -1.7792214273
O             2.0620393696        0.5300126244       -1.5107950684
H             2.5141376971       -0.3322613119       -1.5319847426
H             1.2860105064        0.3826093200       -0.9096764959
O            -0.7553817415       -1.0908338691       -3.7111875719
H            -1.0629518179       -1.1582278039       -4.6144768473
H            -0.2962608668       -0.2219773158       -3.6338010713
O            -3.3074558228       -2.1655844134        0.0084447475
H            -3.2600716458       -1.6291600817       -0.8330832625
H            -4.0766376605       -2.7279324483       -0.0714541140
O             3.2788050050        0.6300242687        2.1600076833
H             3.9737441705        0.8891595341        2.7638351112
H             3.2919941344        1.2931821924        1.4130788359
O            -3.0164195956        2.0519320293        1.5170137370
H            -3.8597625259        2.4499064520        1.7325305932
H            -3.0745724150        1.1021644094        1.8299662653
O             2.8492464642       -1.9805630825        1.3373180833
H             3.0133056263       -1.0712703312        1.6398913469
H             2.8666550282       -1.9534050093        0.3660355604
O            -0.0136214150       -0.0042404274        0.0019972486
H            -0.7984632081        0.4910962726       -0.3340170788
H            -0.2412833051       -0.9587222002       -0.0417216431
O             0.6995776356       -2.9910655180       -2.3217113198
H             0.2129167446       -2.3755732335       -2.8944185599
H             0.1884378418       -3.0106148350       -1.4907400484
O             3.1979857693        2.3266547046        0.1718478869
H             2.4228710259        2.9097839420        0.2742766372
H             2.9446222248        1.7187293902       -0.5485236586
O             0.5765303035        0.6769929741        2.5314363633
H             1.5467668170        0.6508361631        2.5644913200
H             0.3463510801        0.4255360464        1.6097402332
O            -3.0652748288       -0.7569518058       -2.1791573074
H            -2.8205566272        0.1039173438       -1.7871108179
H            -2.2831807306       -1.0261112239       -2.6881692358
    63
 Energy=    -106.838995226490
O             0.6947577186        1.1474226501       -3.6544186606
H             1.2536151891        0.9393028993       -2.8551634295
H             1.2869565345        1.1883704841       -4.4054209112
O            -0.5698603244        3.0870995017        2.2820171546
H            -1.4733647606        2.8256102720        2.0351732520
H            -0.1366374005        2.2509092116        2.5527738780
O            -0.5546746840        3.2705631506       -2.0382620450
H            -0.0490810977        2.7068788845       -2.6384181564
H             0.0258807305        3.4786094669       -1.2823389206
O             0.8887188337        3.7976993308        0.2489848103
H             0.3071092907        3.5078968388        1.0136118928
H             1.0261213483        4.7365045625        0.3818457402
O            -3.2415811139       -0.4439148013        2.2122212594
H            -2.4922565692       -0.7623563622        2.7615180194
H            -3.2755311712       -1.0333199136        1.4417832396
O            -2.0602490344        1.4018981428       -0.9264503160
H            -1.6210440366        2.1637290304       -1.3717829241
H            -2.4626075042        1.7423100161       -0.1066010458
O            -1.0385508738       -1.2767675152        3.5172546127
H            -0.4664776072       -0.5057238891        3.3529621642
H            -0.5422096126       -2.0280504729        3.1614441108
O             0.6664079669       -3.1298075398        2.2591639658
H             1.4899738169       -2.6600823157        1.9611331280
H             0.9531298825       -3.9777307815        2.5979676188
O            -0.6557994929       -2.6038295301       -0.0200543662
H            -1.6245697913       -2.5760382719        0.0819528563
H            -0.2761334836       -2.8896202628        0.8328255724
O             2.9469080639       -1.9942180931       -1.4442431991
H             2.1057946637       -2.3998340511       -1.8026391956
H             3.6705961765       -2.5217625899       -1.7798358160
O             2.0600677859        0.5340360223       -1.5144231440
H             2.5125878546       -0.3290159536       -1.5365034237
H             1.2840694791        0.3850482527       -0.9142724212
O            -0.7563803721       -1.0982063472       -3.7153888122
H            -1.0639754212       -1.1674290496       -4.6178757918
H            -0.3008465147       -0.2295011260       -3.6361802611
O            -3.3073052839       -2.1644192792        0.0081207415
H            -3.2595195795       -1.6300029099       -0.8343065064
H            -4.0769516228       -2.7273518363       -0.0716105490
O             3.2781362734        0.6310162208        2.1590274028
H             3.9732193756        0.8903951717        2.7624271906
H             3.2921525357        1.2939707657        1.4110122480
O            -3.0164904662        2.0524957324        1.5151075511
H            -3.8589381415        2.4511473878        1.7309749399
H            -3.0744935532        1.1027411938        1.8290744583
O             2.8490515763       -1.9796832964        1.3373492709
H             3.0127809835       -1.0713156453        1.6402639162
H             2.8667985129       -1.9514971458        0.3651510852
O            -0.0147628069       -0.0035955289        0.0021660236
H            -0.7986673527        0.4906862890       -0.3371266359
H            -0.2411130402       -0.9591537198       -0.0440778677
O             0.7000361146       -2.9914247570       -2.3205854819
H             0.2129175278       -2.3781701405       -2.8934133478
H             0.1879866988       -3.0112098447       -1.4897801345
O             3.1955163047        2.3254464506        0.1737444013
H             2.4251507195        2.9127200585        0.2777041554
H             2.9406506827        1.7221380990       -0.5491884405
O             0.5754168201        0.6760736042        2.5293359468
H             1.5457667162        0.6506150360        2.5622299830
H             0.3466450678        0.4263907241        1.6069573101
O            -3.0643208395       -0.7588686691       -2.1817699591
H            -2.8205853412        0.1029635487       -1.7892375222
H            -2.2834312509       -1.0280297619       -2.6904011375
    63
 Energy=    -106.838804085930
O             0.6768177386        1.1127734020       -3.6803773850
H             1.2463889001        0.8989147670       -2.8892977146
H             1.2681792160        1.1485930941       -4.4323474115
O            -0.5775701369        3.0863951386        2.3118929472
H            -1.4758476618        2.8283349385        2.0439702778
H            -0.1482413875        2.2440906254        2.5693785841
O            -0.5020823132        3.2688185837       -2.0054143821
H             0.0053420400        2.7146067393       -2.6100386359
H             0.0697210261        3.4679367206       -1.2394324490
O             0.9015759517        3.8245511749        0.3032838858
H             0.3176976736        3.5256412020        1.0637537007
H             1.0268202257        4.7640677356        0.4299732828
O            -3.2369030685       -0.4363049965        2.2091275358
H            -2.4891368387       -0.7558217585        2.7601755465
H            -3.2745273902       -1.0277370365        1.4406595888
O            -2.0602469928        1.3982816059       -0.9290313938
H            -1.6117628743        2.1611850848       -1.3622906229
H            -2.4717940196        1.7333863481       -0.1097001966
O            -1.0365561336       -1.2746807876        3.5171750587
H            -0.4649400386       -0.5042676145        3.3443354821
H            -0.5424872696       -2.0279431828        3.1645578348
O             0.6668243485       -3.1300309334        2.2610886959
H             1.4886996442       -2.6574679985        1.9634368020
H             0.9540127894       -3.9787072674        2.5979163419
O            -0.6560714520       -2.5949250639       -0.0159566200
H            -1.6253881789       -2.5640332882        0.0841066183
H            -0.2758560506       -2.8794653440        0.8369361260
O             2.9475912192       -1.9681087996       -1.4592232969
H             2.1085210270       -2.3991649087       -1.7903659489
H             3.6753725732       -2.4987448802       -1.7832044572
O             2.0331294777        0.5555305285       -1.5427504364
H             2.5044951538       -0.2962534462       -1.5692113869
H             1.2720361974        0.3954104822       -0.9230616188
O            -0.7803429081       -1.1390045304       -3.7275223543
H            -1.0682390883       -1.2154448347       -4.6383284799
H            -0.3202825991       -0.2698195176       -3.6519422049
O            -3.3085446140       -2.1602062250        0.0050486626
H            -3.2595879603       -1.6341702347       -0.8429187627
H            -4.0777959303       -2.7243690823       -0.0714807699
O             3.2753611515        0.6358703679        2.1558105929
H             3.9724099183        0.8963841740        2.7568391258
H             3.2883573803        1.2932119210        1.4025995470
O            -3.0145058720        2.0549426855        1.5051425100
H            -3.8547204318        2.4569506904        1.7237414817
H            -3.0739555259        1.1054459035        1.8202216027
O             2.8473579510       -1.9767141083        1.3378215705
H             3.0101663892       -1.0681046660        1.6430553908
H             2.8666412646       -1.9474280158        0.3666086020
O            -0.0152692665       -0.0026518555       -0.0122013256
H            -0.8044130712        0.4864292100       -0.3484991021
H            -0.2412821212       -0.9581558659       -0.0509137788
O             0.7055859569       -2.9936916781       -2.3138192086
H             0.2121854214       -2.3866557667       -2.8896011937
H             0.1867189358       -3.0140372188       -1.4880782998
O             3.1927831838        2.3289043078        0.1760204820
H             2.4297056484        2.9250438012        0.2965870153
H             2.9179407261        1.7344470035       -0.5471896415
O             0.5725951907        0.6729200644        2.5193467095
H             1.5429409542        0.6500382378        2.5537767016
H             0.3447564715        0.4299006744        1.5949064728
O            -3.0607465141       -0.7684078973       -2.1864665844
H            -2.8220619569        0.0976982888       -1.8033072739
H            -2.2810609794       -1.0334290948       -2.7018123572
    63
 Energy=    -106.838489608810
O             0.6523900381        1.0627082010       -3.7190716129
H             1.2152034080        0.8975792294       -2.9133509631
H             1.2501104832        1.1134035076       -4.4649848305
O            -0.5889987839        3.0832633858        2.3422115531
H            -1.4810520585        2.8284706586        2.0515839123
H            -0.1587854965        2.2361396531        2.5823423862
O            -0.4383496661        3.2423244492       -1.9478399955
H             0.0591374157        2.7073655103       -2.5724082218
H             0.1397681809        3.4261226170       -1.1823382240
O             0.9223936262        3.8653970562        0.3747412313
H             0.3326531739        3.5584477056        1.1272754458
H             1.0207641435        4.8087699266        0.4944134367
O            -3.2321329109       -0.4291385019        2.2061394186
H            -2.4852739753       -0.7492697939        2.7582165032
H            -3.2719784543       -1.0236441396        1.4404385723
O            -2.0628289050        1.3995184427       -0.9453156021
H            -1.5876904688        2.1553321790       -1.3519268879
H            -2.4764651087        1.7309825452       -0.1208660553
O            -1.0358454375       -1.2727168471        3.5174099306
H            -0.4649696758       -0.5027760200        3.3381756852
H            -0.5424435767       -2.0271597965        3.1677633799
O             0.6673382292       -3.1303061639        2.2642712150
H             1.4878243748       -2.6562363024        1.9646808658
H             0.9583064278       -3.9791402131        2.5976628026
O            -0.6552910461       -2.5857691955       -0.0120145214
H            -1.6246890206       -2.5594954265        0.0874514993
H            -0.2760673045       -2.8718220697        0.8410980957
O             2.9467348813       -1.9536450235       -1.4552610771
H             2.1123287856       -2.3945826493       -1.7826182805
H             3.6784282639       -2.4693019042       -1.7965477001
O             2.0265979470        0.5891129485       -1.5533303531
H             2.5004435931       -0.2645616479       -1.6080916016
H             1.2606666137        0.4001203556       -0.9465304039
O            -0.8035184482       -1.1748724890       -3.7565323810
H            -1.0837021694       -1.2985238631       -4.6651902876
H            -0.3482018672       -0.3041260810       -3.7131954662
O            -3.3143023835       -2.1576105891        0.0057017628
H            -3.2711899319       -1.6331391212       -0.8432210061
H            -4.0800665269       -2.7275505911       -0.0663171539
O             3.2737755650        0.6368327732        2.1541890094
H             3.9726460895        0.9020984040        2.7509452568
H             3.2786690276        1.2932074119        1.4004893541
O            -3.0114561473        2.0603691375        1.4890019584
H            -3.8489507099        2.4636369995        1.7168402777
H            -3.0680953024        1.1113190203        1.8050961326
O             2.8434169015       -1.9729647321        1.3401359093
H             3.0080023196       -1.0640726426        1.6447271938
H             2.8627877947       -1.9412287770        0.3693234517
O            -0.0136233577        0.0056080672       -0.0272757484
H            -0.8056301006        0.4905119954       -0.3645490009
H            -0.2321118229       -0.9529233073       -0.0632143765
O             0.7115639743       -3.0090973946       -2.2989530977
H             0.2200095440       -2.4080541222       -2.8846873250
H             0.1948924854       -3.0165816626       -1.4728534901
O             3.1795910609        2.3320708957        0.1705980035
H             2.4240620638        2.9374427333        0.3183549210
H             2.8848722633        1.7559267129       -0.5534569347
O             0.5681660701        0.6714296746        2.5033347726
H             1.5381661538        0.6483022523        2.5432885067
H             0.3467677603        0.4317909547        1.5768659613
O            -3.0653809977       -0.7681452424       -2.1941527048
H            -2.8282455915        0.0989418438       -1.8157871078
H            -2.2846303125       -1.0353333324       -2.7093765137
    63
 Energy=    -106.838394525750
O             0.6412351159        1.0546320941       -3.7354949079
H             1.2012852529        0.9011016427       -2.9263942855
H             1.2487293593        1.1131815882       -4.4730775620
O            -0.5931266260        3.0825243135        2.3524968002
H            -1.4829454323        2.8274890237        2.0538595606
H            -0.1614263899        2.2339374770        2.5842659964
O            -0.4103680805        3.2243893616       -1.9196061951
H             0.0807939140        2.6918254610       -2.5521026467
H             0.1672693200        3.4103902880       -1.1551185871
O             0.9309360672        3.8819906897        0.4030811038
H             0.3347571845        3.5728106361        1.1492800918
H             1.0172017534        4.8283588552        0.5199193170
O            -3.2296128997       -0.4260568952        2.2036654165
H            -2.4845772471       -0.7473815032        2.7573284818
H            -3.2713151217       -1.0232917326        1.4400446136
O            -2.0628579524        1.4004271195       -0.9499126136
H            -1.5739394647        2.1546469610       -1.3528972564
H            -2.4744937110        1.7353626399       -0.1309255994
O            -1.0362219884       -1.2714873812        3.5169551642
H            -0.4650531561       -0.5022032938        3.3374513119
H            -0.5421950050       -2.0268889271        3.1689991790
O             0.6679544858       -3.1309066682        2.2644063962
H             1.4879001884       -2.6552136302        1.9653202825
H             0.9597220910       -3.9792672590        2.5976555283
O            -0.6551619325       -2.5845431681       -0.0096050518
H            -1.6247103225       -2.5598303060        0.0873872534
H            -0.2762058260       -2.8714521259        0.8433061387
O             2.9455141978       -1.9469666884       -1.4529709599
H             2.1113514427       -2.3879391602       -1.7828590722
H             3.6778638480       -2.4551266149       -1.8014174340
O             2.0224360806        0.5890321781       -1.5731764975
H             2.5041395812       -0.2562635313       -1.6055497043
H             1.2623289265        0.4075215195       -0.9569145153
O            -0.8036837720       -1.1981634811       -3.7694097174
H            -1.0948352374       -1.3377070104       -4.6732696320
H            -0.3597095051       -0.3199067539       -3.7510569280
O            -3.3163791866       -2.1578808345        0.0070608904
H            -3.2771687617       -1.6302063219       -0.8395527777
H            -4.0803832246       -2.7297845485       -0.0636146948
O             3.2721876542        0.6387659738        2.1531691656
H             3.9727118820        0.9032940462        2.7483878949
H             3.2767396815        1.2953421123        1.3992478848
O            -3.0101495959        2.0622827881        1.4826904585
H            -3.8464875763        2.4653754137        1.7142776176
H            -3.0651435168        1.1138099258        1.8010006940
O             2.8415932113       -1.9708049485        1.3394883686
H             3.0077515325       -1.0634790444        1.6465213328
H             2.8604613076       -1.9382642142        0.3682533221
O            -0.0116201695        0.0092167979       -0.0345535063
H            -0.8058630772        0.4914311728       -0.3708659238
H            -0.2306724804       -0.9479053039       -0.0689399905
O             0.7150122726       -3.0128600922       -2.2933190297
H             0.2189926747       -2.4216416875       -2.8823128336
H             0.1991966286       -3.0171509650       -1.4649869666
O             3.1678111338        2.3342985104        0.1762153829
H             2.4219936560        2.9449905219        0.3266376365
H             2.8748439956        1.7634059862       -0.5581304994
O             0.5671183703        0.6696741535        2.4978392267
H             1.5370078643        0.6477751335        2.5403726087
H             0.3471552546        0.4326343198        1.5699885432
O            -3.0725973672       -0.7663206951       -2.1954156783
H            -2.8318304853        0.1015530468       -1.8187709336
H            -2.2947497145       -1.0358193609       -2.7108421830
    63
 Energy=    -106.838260914690
O             0.6394300113        1.0563298150       -3.7394760760
H             1.1954331795        0.9027185981       -2.9283040231
H             1.2491142284        1.1122200645       -4.4755074967
O            -0.5944894284        3.0821492044        2.3554354553
H            -1.4836188807        2.8272150352        2.0544174488
H            -0.1619293101        2.2333474856        2.5845695759
O            -0.4046185284        3.2203331478       -1.9103145581
H             0.0862143872        2.6874928687       -2.5468412873
H             0.1767257964        3.4037480811       -1.1477429171
O             0.9334105351        3.8868325295        0.4107944300
H             0.3358865001        3.5780461123        1.1554904885
H             1.0155765151        4.8333861696        0.5279503110
O            -3.2288732663       -0.4252346425        2.2028352913
H            -2.4844104136       -0.7467481517        2.7571289484
H            -3.2711856412       -1.0232534929        1.4398100964
O            -2.0620006846        1.4006152179       -0.9516647608
H            -1.5699797072        2.1538949628       -1.3531206643
H            -2.4738624594        1.7371472805       -0.1340517113
O            -1.0361939988       -1.2712224459        3.5169123352
H            -0.4651506730       -0.5018922784        3.3372040610
H            -0.5421617117       -2.0268459794        3.1693076472
O             0.6679452483       -3.1311385311        2.2643883325
H             1.4878901020       -2.6551288414        1.9656001685
H             0.9602726009       -3.9790394531        2.5975406383
O            -0.6551543310       -2.5846292060       -0.0088265232
H            -1.6247045747       -2.5598872939        0.0870582766
H            -0.2759912741       -2.8714354366        0.8439536888
O             2.9450320137       -1.9444116867       -1.4533491299
H             2.1110716797       -2.3864756974       -1.7828837175
H             3.6772941117       -2.4510846937       -1.8024977787
O             2.0184109062        0.5866481857       -1.5832546895
H             2.5069989922       -0.2553302944       -1.6019924388
H             1.2646058156        0.4109998248       -0.9590110602
O            -0.8034515678       -1.2063529846       -3.7770514901
H            -1.0984399073       -1.3499658969       -4.6733836089
H            -0.3627284805       -0.3241100413       -3.7617387550
O            -3.3170434266       -2.1581684498        0.0074308675
H            -3.2790492677       -1.6289765829       -0.8381897013
H            -4.0804053419       -2.7304561367       -0.0627432984
O             3.2714435452        0.6391190723        2.1530642841
H             3.9724655673        0.9037443674        2.7471387527
H             3.2765412518        1.2958065315        1.3993370252
O            -3.0097280365        2.0628456907        1.4809510484
H            -3.8457747224        2.4657312424        1.7135791676
H            -3.0643123853        1.1146556008        1.8000664660
O             2.8411247962       -1.9700215398        1.3392260622
H             3.0077377228       -1.0631348135        1.6473652913
H             2.8597438619       -1.9375473728        0.3678582889
O            -0.0099192922        0.0104974225       -0.0393854493
H            -0.8060705768        0.4916578668       -0.3722754541
H            -0.2308454864       -0.9460097436       -0.0701905262
O             0.7159595874       -3.0135404200       -2.2910903452
H             0.2183041573       -2.4257592348       -2.8823517357
H             0.2009265419       -3.0177722253       -1.4622389520
O             3.1644138696        2.3351540910        0.1770328458
H             2.4208206035        2.9482951109        0.3301498290
H             2.8729145282        1.7651082743       -0.5586754217
O             0.5672388655        0.6690063864        2.4962437973
H             1.5371575888        0.6477953021        2.5400266083
H             0.3465319742        0.4329866559        1.5681821695
O            -3.0750057865       -0.7656442272       -2.1954658724
H            -2.8330744943        0.1023603012       -1.8195540986
H            -2.2979523304       -1.0359131048       -2.7113666761
    63
 Energy=    -106.837928601670
O             0.6334050765        1.0699133924       -3.7585933456
H             1.1855549568        0.8720726912       -2.9570732534
H             1.2481758317        1.1463093620       -4.4924130456
O            -0.5971404348        3.0808761837        2.3605871211
H            -1.4851693670        2.8258223893        2.0562458109
H            -0.1622221356        2.2319390272        2.5845219804
O            -0.3696098758        3.2075329516       -1.8907972460
H             0.1300102961        2.6510402924       -2.4974351966
H             0.1983616530        3.3977945496       -1.1186857549
O             0.9342169702        3.9052123462        0.4324188023
H             0.3340193168        3.5893863110        1.1724467778
H             1.0133139872        4.8518892843        0.5516219095
O            -3.2276367142       -0.4234675554        2.2007507183
H            -2.4832316033       -0.7448177067        2.7551125932
H            -3.2708911426       -1.0225230339        1.4386719184
O            -2.0623213568        1.4030129253       -0.9582911555
H            -1.5556385568        2.1475712568       -1.3585475528
H            -2.4720560455        1.7458345797       -0.1418728536
O            -1.0355529284       -1.2709795319        3.5185366699
H            -0.4655773734       -0.5015561470        3.3362162379
H            -0.5423244712       -2.0262950887        3.1692267741
O             0.6683897934       -3.1305289915        2.2670362804
H             1.4872775932       -2.6550054176        1.9648392106
H             0.9618126693       -3.9796054355        2.5968408252
O            -0.6554278378       -2.5854360012       -0.0081506503
H            -1.6249278679       -2.5613869967        0.0882272694
H            -0.2779960506       -2.8721515880        0.8453985837
O             2.9423867566       -1.9295806514       -1.4540915750
H             2.1083643853       -2.3720173105       -1.7815695268
H             3.6751273024       -2.4339832795       -1.8063180073
O             2.0258812656        0.5941726330       -1.5866349455
H             2.5090275131       -0.2515996465       -1.5965888720
H             1.2594643388        0.4220658209       -0.9785081649
O            -0.8122961074       -1.2305586460       -3.7891307743
H            -1.1162706748       -1.4033459649       -4.6816379519
H            -0.3616536862       -0.3564602592       -3.7933620318
O            -3.3176601940       -2.1589997617        0.0097265892
H            -3.2844295361       -1.6260314464       -0.8332155020
H            -4.0802425445       -2.7325860196       -0.0611252143
O             3.2722388072        0.6389015888        2.1535017875
H             3.9740605114        0.9040432949        2.7469887380
H             3.2716477011        1.2967955690        1.4010432656
O            -3.0068115683        2.0655108429        1.4785065738
H            -3.8438821091        2.4667878945        1.7106311848
H            -3.0607097516        1.1165075864        1.7947740231
O             2.8412011275       -1.9698980795        1.3384391121
H             3.0068006319       -1.0627643953        1.6462545011
H             2.8561774342       -1.9331432147        0.3674067973
O            -0.0107481349        0.0122073963       -0.0456605763
H            -0.8068663193        0.4944056932       -0.3774902884
H            -0.2293341000       -0.9448239759       -0.0730293806
O             0.7183940724       -3.0152296407       -2.2868059243
H             0.2121994635       -2.4386242387       -2.8814239707
H             0.2059462545       -3.0168313679       -1.4562410957
O             3.1585995748        2.3418801493        0.1759568963
H             2.4140406131        2.9515578773        0.3354377814
H             2.8591738748        1.7748417253       -0.5589311614
O             0.5660990496        0.6695978046        2.4935880418
H             1.5359227710        0.6473587637        2.5370269661
H             0.3467785495        0.4328652292        1.5657538600
O            -3.0860478812       -0.7612765873       -2.1930381309
H            -2.8373115630        0.1065471375       -1.8204541337
H            -2.3155711104       -1.0399889701       -2.7131088426
    63
 Energy=    -106.837779855040
O             0.6356838187        1.0300063023       -3.7785243827
H             1.2042571344        0.8389002664       -2.9895578683
H             1.2356264408        1.2197311334       -4.5082075213
O            -0.5983121989        3.0805234461        2.3636190129
H            -1.4856214923        2.8245499445        2.0576016722
H            -0.1620477274        2.2312762445        2.5846214327
O            -0.3322885195        3.1878483590       -1.8799496392
H             0.1900018369        2.6081221749       -2.4438933556
H             0.2011138397        3.4162936707       -1.0932849084
O             0.9313482416        3.9168652221        0.4425922348
H             0.3288971315        3.5973783948        1.1800221009
H             1.0128992061        4.8625324512        0.5667781610
O            -3.2261860444       -0.4216666869        2.1991897328
H            -2.4822730816       -0.7439093508        2.7537294674
H            -3.2710572576       -1.0218670419        1.4380842409
O            -2.0619752289        1.4079532697       -0.9637679575
H            -1.5474729782        2.1472571748       -1.3632502104
H            -2.4690230150        1.7535840218       -0.1472983835
O            -1.0359396189       -1.2706419236        3.5181952721
H            -0.4655157605       -0.5013416719        3.3368767975
H            -0.5423520947       -2.0261198171        3.1697323271
O             0.6687424733       -3.1303362452        2.2674558462
H             1.4874818257       -2.6547643203        1.9648118872
H             0.9620056348       -3.9798044658        2.5962934927
O            -0.6566866345       -2.5866662108       -0.0068014654
H            -1.6262824863       -2.5623493088        0.0891218007
H            -0.2789194633       -2.8730597415        0.8466975651
O             2.9395728551       -1.9166719405       -1.4530219578
H             2.1056628889       -2.3588622792       -1.7814529671
H             3.6725726435       -2.4177372443       -1.8094252133
O             2.0194304759        0.6046025057       -1.5923337340
H             2.5074916814       -0.2381080050       -1.5969368388
H             1.2506580533        0.4287891772       -0.9879082685
O            -0.8254191500       -1.2514585290       -3.7893610181
H            -1.1236686469       -1.4383893367       -4.6802773583
H            -0.3632453752       -0.3847596867       -3.8178365949
O            -3.3176546842       -2.1601455121        0.0108554553
H            -3.2863660243       -1.6247091387       -0.8309076541
H            -4.0798986999       -2.7341679159       -0.0598743029
O             3.2722034626        0.6397387063        2.1532853806
H             3.9749830744        0.9040778271        2.7458988609
H             3.2699763555        1.2987875931        1.4019864400
O            -3.0045420422        2.0667219856        1.4755452486
H            -3.8419077394        2.4669743831        1.7082947181
H            -3.0582983636        1.1172503691        1.7908145309
O             2.8403620676       -1.9693888224        1.3365506023
H             3.0066525583       -1.0630557258        1.6461683126
H             2.8537944099       -1.9309265881        0.3654083720
O            -0.0135476541        0.0119669356       -0.0450628174
H            -0.8103798418        0.4913892757       -0.3781997999
H            -0.2305050000       -0.9453272155       -0.0737945242
O             0.7192320355       -3.0127003259       -2.2852699753
H             0.2050483348       -2.4448880953       -2.8818792416
H             0.2073792687       -3.0159259974       -1.4544774479
O             3.1506145212        2.3442058942        0.1779692119
H             2.4088721272        2.9568240487        0.3378578838
H             2.8519683549        1.7794900712       -0.5593082940
O             0.5659425009        0.6697424516        2.4922499681
H             1.5357317668        0.6473993036        2.5363654668
H             0.3463331935        0.4320433183        1.5645827570
O            -3.0969228459       -0.7586121585       -2.1889254101
H            -2.8399158323        0.1087843217       -1.8213065852
H            -2.3318036133       -1.0424913394       -2.7136510778
    63
 Energy=    -106.836964463440
O             0.6510493389        0.9572877312       -3.8151699529
H             1.2346273829        0.8034046959       -3.0245696594
H             1.2099300331        1.3260338009       -4.5158592461
O            -0.5994833089        3.0800662013        2.3665312433
H            -1.4862941584        2.8232107970        2.0589577135
H            -0.1612748097        2.2309320748        2.5848301169
O            -0.2975862444        3.1671894359       -1.8732225570
H             0.2661238042        2.5633446507       -2.3702788195
H             0.2029027929        3.4338800245       -1.0761349633
O             0.9255699166        3.9289570569        0.4497480477
H             0.3236385745        3.6053009001        1.1868976116
H             1.0130912162        4.8729349068        0.5823806938
O            -3.2244120164       -0.4194490115        2.1972875988
H            -2.4814744297       -0.7428603860        2.7523926831
H            -3.2712594144       -1.0213086989        1.4374792488
O            -2.0611714659        1.4146191856       -0.9700623382
H            -1.5388594809        2.1487118279       -1.3672448678
H            -2.4651978928        1.7613637210       -0.1529513599
O            -1.0363540605       -1.2702322503        3.5175369039
H            -0.4653058261       -0.5011687336        3.3377445524
H            -0.5423461734       -2.0260038349        3.1702583077
O             0.6689853755       -3.1300212646        2.2675446685
H             1.4878345174       -2.6548286934        1.9647976919
H             0.9620017351       -3.9798339857        2.5956270263
O            -0.6579402160       -2.5879722212       -0.0053572749
H            -1.6275292724       -2.5632014212        0.0902796815
H            -0.2799050056       -2.8736851398        0.8480579632
O             2.9353716754       -1.9020135650       -1.4526269018
H             2.1025643154       -2.3468898227       -1.7821030317
H             3.6688301236       -2.3997945609       -1.8127556256
O             2.0037050790        0.6151081315       -1.6054354492
H             2.5055572516       -0.2199693273       -1.5977488846
H             1.2413732031        0.4363809915       -0.9924718586
O            -0.8445717816       -1.2716667359       -3.7914703089
H            -1.1333153246       -1.4797652514       -4.6813873139
H            -0.3641134006       -0.4147756000       -3.8279199290
O            -3.3178475927       -2.1609840701        0.0124435538
H            -3.2881853935       -1.6242992325       -0.8291564193
H            -4.0795119876       -2.7357027969       -0.0588152356
O             3.2715750009        0.6411526050        2.1527792278
H             3.9758817440        0.9045014917        2.7439088291
H             3.2689587247        1.3006468204        1.4026353234
O            -3.0023927625        2.0674418092        1.4715990977
H            -3.8396733777        2.4670446139        1.7058923964
H            -3.0556739403        1.1177200936        1.7869453437
O             2.8391157471       -1.9689408952        1.3347843788
H             3.0065956099       -1.0635452127        1.6458563076
H             2.8516301132       -1.9286685225        0.3634630489
O            -0.0170605465        0.0102307288       -0.0466692565
H            -0.8160943471        0.4877294040       -0.3769787437
H            -0.2327376657       -0.9479105325       -0.0726475819
O             0.7196787374       -3.0078928987       -2.2840588369
H             0.1988560620       -2.4469456691       -2.8828005867
H             0.2079824193       -3.0156399379       -1.4534791599
O             3.1426325111        2.3466520906        0.1805763980
H             2.4033691054        2.9624153988        0.3399806332
H             2.8450090060        1.7829807325       -0.5574948854
O             0.5659551640        0.6700154556        2.4918631284
H             1.5357256067        0.6475679577        2.5360789328
H             0.3456672931        0.4312296827        1.5645619100
O            -3.1066778280       -0.7557615755       -2.1851330730
H            -2.8444873369        0.1113494336       -1.8209835299
H            -2.3465410190       -1.0449150018       -2.7152231304
    63
 Energy=    -106.836093010670
O             0.7188036224        0.8434430839       -3.9106163724
H             1.2760471598        0.7552868549       -3.0997909365
H             1.1391205533        1.4958220620       -4.4783553176
O            -0.6004865092        3.0796315976        2.3682729724
H            -1.4870811716        2.8208752433        2.0613094091
H            -0.1603730623        2.2309591741        2.5855764312
O            -0.2288008763        3.1368975661       -1.8720010317
H             0.3785837182        2.4960687831       -2.2528372899
H             0.1939969121        3.4633027757       -1.0526733981
O             0.9137293407        3.9470958228        0.4568049170
H             0.3174118927        3.6148287045        1.1954050373
H             1.0143452676        4.8873083778        0.6045048566
O            -3.2220207911       -0.4162998905        2.1941380415
H            -2.4805873417       -0.7409800974        2.7505331300
H            -3.2715187195       -1.0206282247        1.4362913786
O            -2.0596380387        1.4242632129       -0.9774052117
H            -1.5269202974        2.1493853472       -1.3730809578
H            -2.4615422171        1.7720031666       -0.1592096658
O            -1.0364095842       -1.2701250063        3.5176282846
H            -0.4649899232       -0.5012783507        3.3386529681
H            -0.5423531184       -2.0258927901        3.1702607689
O             0.6692870872       -3.1290606914        2.2697383309
H             1.4878800327       -2.6554007100        1.9634704296
H             0.9616350106       -3.9803860661        2.5944968990
O            -0.6595779742       -2.5889218501       -0.0028956061
H            -1.6293122445       -2.5644058895        0.0922264049
H            -0.2814894124       -2.8745686627        0.8506017728
O             2.9273205037       -1.8816342638       -1.4521538669
H             2.0969933962       -2.3290443081       -1.7838344222
H             3.6625146803       -2.3727330628       -1.8179518918
O             1.9908159766        0.6404768740       -1.6051474548
H             2.4954194640       -0.1930591503       -1.6053878974
H             1.2242774074        0.4439611243       -1.0042263832
O            -0.8921660162       -1.3084673847       -3.7842744263
H            -1.1385584106       -1.5302474959       -4.6829437363
H            -0.3718713255       -0.4822109651       -3.8341353646
O            -3.3194958347       -2.1604268409        0.0147134306
H            -3.2903351864       -1.6245724858       -0.8277597513
H            -4.0788903323       -2.7379735261       -0.0575525160
O             3.2715218867        0.6428054777        2.1527712941
H             3.9779304020        0.9051668456        2.7419076390
H             3.2663644525        1.3024451210        1.4030645984
O            -2.9987782014        2.0686582890        1.4666075436
H            -3.8363385831        2.4669452896        1.7022585627
H            -3.0518745472        1.1180777101        1.7808999297
O             2.8384815184       -1.9687586655        1.3324810823
H             3.0061536389       -1.0639640597        1.6448678473
H             2.8482471364       -1.9255970852        0.3609977917
O            -0.0246448458        0.0071087332       -0.0446562000
H            -0.8242897267        0.4808366231       -0.3757957615
H            -0.2361191461       -0.9522343134       -0.0713024807
O             0.7195945263       -3.0002686673       -2.2852559363
H             0.1947059432       -2.4406177814       -2.8817315568
H             0.2075857688       -3.0137512974       -1.4553648669
O             3.1331582179        2.3527088055        0.1809564286
H             2.3944920674        2.9677281872        0.3422862266
H             2.8315998911        1.7863472410       -0.5544923293
O             0.5658010585        0.6721610167        2.4915940288
H             1.5355618510        0.6473884533        2.5358312182
H             0.3445389728        0.4292654582        1.5657139439
O            -3.1165776509       -0.7547102883       -2.1799714358
H            -2.8524230323        0.1131561837       -1.8217601191
H            -2.3619441347       -1.0434317314       -2.7187899373
    63
 Energy=    -106.836037960040
O             0.7453809359        0.8107151641       -3.9382623291
H             1.2861805539        0.7429390747       -3.1157195985
H             1.1027399601        1.5266261296       -4.4622351891
O            -0.6008020511        3.0795050692        2.3689022508
H            -1.4873129378        2.8203944811        2.0619054761
H            -0.1601824900        2.2309131295        2.5857502807
O            -0.2124197254        3.1279527029       -1.8716415911
H             0.4059576666        2.4822213026       -2.2238098184
H             0.1927904407        3.4695530534       -1.0497553602
O             0.9109781114        3.9514447198        0.4584343772
H             0.3158726953        3.6173751428        1.1973784816
H             1.0146525796        4.8907327983        0.6096008042
O            -3.2213883302       -0.4155240598        2.1934665111
H            -2.4803010303       -0.7405665173        2.7501406479
H            -3.2716253096       -1.0205212012        1.4361767174
O            -2.0593530592        1.4265289748       -0.9794289214
H            -1.5235933694        2.1494270304       -1.3739799970
H            -2.4606247358        1.7743446510       -0.1608608157
O            -1.0365190478       -1.2700316559        3.5174777751
H            -0.4649100308       -0.5012598476        3.3389488998
H            -0.5423511934       -2.0258535200        3.1703467324
O             0.6693044287       -3.1288625159        2.2699873587
H             1.4878713391       -2.6553973720        1.9632436920
H             0.9616181335       -3.9804027758        2.5942206496
O            -0.6600082532       -2.5890390762       -0.0022838469
H            -1.6297552683       -2.5648566331        0.0928011241
H            -0.2817080551       -2.8748734446        0.8510764053
O             2.9255194741       -1.8767165153       -1.4517273627
H             2.0959813101       -2.3248510824       -1.7842433613
H             3.6611766880       -2.3659561146       -1.8191508191
O             1.9843677988        0.6453814397       -1.6071461669
H             2.4924896910       -0.1861408224       -1.6080303454
H             1.2193602431        0.4443448339       -1.0057851035
O            -0.8981718885       -1.3091752712       -3.7827395608
H            -1.1380756304       -1.5396234340       -4.6809346999
H            -0.3681490373       -0.4897768130       -3.8392146217
O            -3.3198460905       -2.1604898543        0.0152053250
H            -3.2910373616       -1.6246734243       -0.8273230181
H            -4.0788187912       -2.7385804638       -0.0571548566
O             3.2713873561        0.6431668774        2.1528041816
H             3.9783350154        0.9052332444        2.7414321826
H             3.2658256587        1.3027176015        1.4032192237
O            -2.9980349214        2.0688401314        1.4650728789
H            -3.8354994350        2.4669861295        1.7013594552
H            -3.0510364158        1.1181676563        1.7794851203
O             2.8380660497       -1.9686547434        1.3319265210
H             3.0061398498       -1.0641212578        1.6447053412
H             2.8475791955       -1.9248924055        0.3603798368
O            -0.0266329590        0.0062276728       -0.0440969110
H            -0.8265343689        0.4791484774       -0.3751091526
H            -0.2371254865       -0.9534830968       -0.0707184790
O             0.7191882574       -2.9987747086       -2.2854957167
H             0.1937393626       -2.4392139287       -2.8816661339
H             0.2074099759       -3.0133269843       -1.4555921737
O             3.1303516461        2.3535687578        0.1809514829
H             2.3923219011        2.9691125998        0.3426317047
H             2.8285186954        1.7875433773       -0.5546663585
O             0.5658316966        0.6725644385        2.4916111356
H             1.5355933274        0.6473860135        2.5358585889
H             0.3443588550        0.4288482115        1.5660456780
O            -3.1189393121       -0.7542102751       -2.1790871224
H            -2.8543515508        0.1136700755       -1.8217565603
H            -2.3652696559       -1.0429735431       -2.7194213738
    63
 Energy=    -106.836062978660
O             0.7187983817        0.8434351902       -3.9106110854
H             1.2760479321        0.7552869118       -3.0997908667
H             1.1391250947        1.4958298230       -4.4783611366
O            -0.6004865147        3.0796315967        2.3682729814
H            -1.4870811765        2.8208752343        2.0613094191
H            -0.1603730596        2.2309591741        2.5855764351
O            -0.2288014183        3.1368979157       -1.8720010477
H             0.3785847283        2.4960679206       -2.2528372652
H             0.1939970710        3.4633030482       -1.0526729136
O             0.9137292995        3.9470958667        0.4568049299
H             0.3174118758        3.6148287425        1.1954050683
H             1.0143452759        4.8873084491        0.6045049438
O            -3.2220207832       -0.4162998779        2.1941380314
H            -2.4805873377       -0.7409800901        2.7505331250
H            -3.2715187205       -1.0206282247        1.4362913726
O            -2.0596380410        1.4242632589       -0.9774052321
H            -1.5269202595        2.1493853412       -1.3730809730
H            -2.4615422023        1.7720031975       -0.1592096945
O            -1.0364095852       -1.2701250063        3.5176282856
H            -0.4649899222       -0.5012783524        3.3386529711
H            -0.5423531176       -2.0258927891        3.1702607689
O             0.6692870868       -3.1290606904        2.2697383409
H             1.4878800337       -2.6554007110        1.9634704226
H             0.9616350082       -3.9803860681        2.5944968951
O            -0.6595779831       -2.5889218581       -0.0028955899
H            -1.6293122465       -2.5644058945        0.0922264124
H            -0.2814894179       -2.8745686637        0.8506017755
O             2.9273204866       -1.8816341988       -1.4521538520
H             2.0969933720       -2.3290442432       -1.7838344302
H             3.6625146640       -2.3727329658       -1.8179519129
O             1.9908159395        0.6404769817       -1.6051474178
H             2.4954194126       -0.1930590527       -1.6053879394
H             1.2242773381        0.4439611381       -1.0042264400
O            -0.8921660861       -1.3084673655       -3.7842742570
H            -1.1385584187       -1.5302476481       -4.6829438359
H            -0.3718713855       -0.4822112613       -3.8341354506
O            -3.3194958426       -2.1604268419        0.0147134413
H            -3.2903351954       -1.6245724838       -0.8277597501
H            -4.0788903303       -2.7379735350       -0.0575525095
O             3.2715218897        0.6428054844        2.1527712950
H             3.9779304090        0.9051668465        2.7419076329
H             3.2663644395        1.3024451249        1.4030645984
O            -2.9987781895        2.0686582930        1.4666075205
H            -3.8363385702        2.4669452876        1.7022585496
H            -3.0518745343        1.1180777121        1.7808999086
O             2.8384815173       -1.9687586635        1.3324810793
H             3.0061536369       -1.0639640627        1.6448678433
H             2.8482471243       -1.9255970742        0.3609977779
O            -0.0246448932        0.0071087199       -0.0446561683
H            -0.8242897493        0.4808365906       -0.3757957567
H            -0.2361191573       -0.9522343245       -0.0713024790
O             0.7195945235       -3.0002686613       -2.2852559313
H             0.1947059263       -2.4406177424       -2.8817315598
H             0.2075857694       -3.0137512855       -1.4553648780
O             3.1331581848        2.3527088324        0.1809564354
H             2.3944920344        2.9677282051        0.3422862352
H             2.8315998330        1.7863472388       -0.5544923424
O             0.5658010605        0.6721610253        2.4915940338
H             1.5355618500        0.6473884531        2.5358312183
H             0.3445389684        0.4292654488        1.5657139399
O            -3.1165776938       -0.7547102822       -2.1799714146
H            -2.8524230584        0.1131561848       -1.8217601250
H            -2.3619441758       -1.0434317206       -2.7187899521
    63
 Energy=    -106.836086243270
O             0.7188036224        0.8434430839       -3.9106163724
H             1.2760471598        0.7552868549       -3.0997909365
H             1.1391205533        1.4958220620       -4.4783553176
O            -0.6004865092        3.0796315976        2.3682729724
H            -1.4870811716        2.8208752433        2.0613094091
H            -0.1603730623        2.2309591741        2.5855764312
O            -0.2288008763        3.1368975661       -1.8720010317
H             0.3785837182        2.4960687831       -2.2528372899
H             0.1939969121        3.4633027757       -1.0526733981
O             0.9137293407        3.9470958228        0.4568049170
H             0.3174118927        3.6148287045        1.1954050373
H             1.0143452676        4.8873083778        0.6045048566
O            -3.2220207911       -0.4162998905        2.1941380415
H            -2.4805873417       -0.7409800974        2.7505331300
H            -3.2715187195       -1.0206282247        1.4362913786
O            -2.0596380387        1.4242632129       -0.9774052117
H            -1.5269202974        2.1493853472       -1.3730809578
H            -2.4615422171        1.7720031666       -0.1592096658
O            -1.0364095842       -1.2701250063        3.5176282846
H            -0.4649899232       -0.5012783507        3.3386529681
H            -0.5423531184       -2.0258927901        3.1702607689
O             0.6692870872       -3.1290606914        2.2697383309
H             1.4878800327       -2.6554007100        1.9634704296
H             0.9616350106       -3.9803860661        2.5944968990
O            -0.6595779742       -2.5889218501       -0.0028956061
H            -1.6293122445       -2.5644058895        0.0922264049
H            -0.2814894124       -2.8745686627        0.8506017728
O             2.9273205037       -1.8816342638       -1.4521538669
H             2.0969933962       -2.3290443081       -1.7838344222
H             3.6625146803       -2.3727330628       -1.8179518918
O             1.9908159766        0.6404768740       -1.6051474548
H             2.4954194640       -0.1930591503       -1.6053878974
H             1.2242774074        0.4439611243       -1.0042263832
O            -0.8921660162       -1.3084673847       -3.7842744263
H            -1.1385584106       -1.5302474959       -4.6829437363
H            -0.3718713255       -0.4822109651       -3.8341353646
O            -3.3194958347       -2.1604268409        0.0147134306
H            -3.2903351864       -1.6245724858       -0.8277597513
H            -4.0788903323       -2.7379735261       -0.0575525160
O             3.2715218867        0.6428054777        2.1527712941
H             3.9779304020        0.9051668456        2.7419076390
H             3.2663644525        1.3024451210        1.4030645984
O            -2.9987782014        2.0686582890        1.4666075436
H            -3.8363385831        2.4669452896        1.7022585627
H            -3.0518745472        1.1180777101        1.7808999297
O             2.8384815184       -1.9687586655        1.3324810823
H             3.0061536389       -1.0639640597        1.6448678473
H             2.8482471364       -1.9255970852        0.3609977917
O            -0.0246448458        0.0071087332       -0.0446562000
H            -0.8242897267        0.4808366231       -0.3757957615
H            -0.2361191461       -0.9522343134       -0.0713024807
O             0.7195945263       -3.0002686673       -2.2852559363
H             0.1947059432       -2.4406177814       -2.8817315568
H             0.2075857688       -3.0137512974       -1.4553648669
O             3.1331582179        2.3527088055        0.1809564286
H             2.3944920674        2.9677281872        0.3422862266
H             2.8315998911        1.7863472410       -0.5544923293
O             0.5658010585        0.6721610167        2.4915940288
H             1.5355618510        0.6473884533        2.5358312182
H             0.3445389728        0.4292654582        1.5657139439
O            -3.1165776509       -0.7547102883       -2.1799714358
H            -2.8524230323        0.1131561837       -1.8217601191
H            -2.3619441347       -1.0434317314       -2.7187899373
    63
 Energy=    -106.836125029980
O             0.7169033269        0.8502148123       -3.9044398286
H             1.2727632706        0.7580219062       -3.0967465339
H             1.1423105599        1.4856267847       -4.4800753733
O            -0.6004610471        3.0796338730        2.3682187903
H            -1.4870335129        2.8210165814        2.0611787049
H            -0.1604002858        2.2309599605        2.5855247764
O            -0.2327597437        3.1384131512       -1.8719508457
H             0.3725938298        2.5000431025       -2.2586524322
H             0.1946735834        3.4613506826       -1.0544549959
O             0.9143246086        3.9461490574        0.4565198261
H             0.3177504950        3.6143391254        1.1949401231
H             1.0142812660        4.8865497868        0.6033199650
O            -3.2221417894       -0.4164625874        2.1942999365
H            -2.4806337093       -0.7410850730        2.7506304991
H            -3.2715049684       -1.0206604678        1.4363675914
O            -2.0596926810        1.4237889488       -0.9770808467
H            -1.5275210998        2.1493933201       -1.3727482159
H            -2.4616893520        1.7714401208       -0.1589111892
O            -1.0364187122       -1.2701212048        3.5176026396
H            -0.4650006478       -0.5012617459        3.3386092154
H            -0.5423513353       -2.0258988993        3.1702739304
O             0.6692588818       -3.1291274656        2.2695800796
H             1.4879028849       -2.6553598286        1.9635633718
H             0.9616600865       -3.9803418121        2.5945578507
O            -0.6594933992       -2.5888713418       -0.0030484789
H            -1.6291947598       -2.5643448662        0.0921287484
H            -0.2814169887       -2.8745137325        0.8504514307
O             2.9277011320       -1.8827230733       -1.4522709224
H             2.0973780624       -2.3300166836       -1.7837070269
H             3.6628096698       -2.3741515973       -1.8176462392
O             1.9909146617        0.6386384842       -1.6057502278
H             2.4960710540       -0.1943210584       -1.6048516680
H             1.2254209793        0.4437274536       -1.0034949313
O            -0.8892089188       -1.3060671714       -3.7851904970
H            -1.1386044647       -1.5280328654       -4.6828809556
H            -0.3712928432       -0.4781675227       -3.8334571315
O            -3.3193913074       -2.1604673672        0.0145650155
H            -3.2902406987       -1.6245938947       -0.8277746093
H            -4.0789047672       -2.7378321715       -0.0576231220
O             3.2715002355        0.6427118623        2.1527755444
H             3.9778109096        0.9051393211        2.7419874345
H             3.2665278036        1.3023852550        1.4030135645
O            -2.9989928621        2.0685776827        1.4668491181
H            -3.8365125983        2.4669554243        1.7024541059
H            -3.0520690394        1.1180609085        1.7812343173
O             2.8384776157       -1.9687787849        1.3326190910
H             3.0061861500       -1.0639469970        1.6449108606
H             2.8484441294       -1.9257428016        0.3611363514
O            -0.0242679947        0.0072169070       -0.0450202377
H            -0.8238361860        0.4812531062       -0.3757851470
H            -0.2359180269       -0.9520058328       -0.0713062032
O             0.7195826381       -3.0005919102       -2.2851440142
H             0.1948926604       -2.4411166803       -2.8818025104
H             0.2076317132       -3.0139054058       -1.4552211925
O             3.1336898911        2.3523788008        0.1810836629
H             2.3949841159        2.9674623681        0.3421391721
H             2.8323548284        1.7862004856       -0.5546214055
O             0.5657996480        0.6720167874        2.4916411941
H             1.5355680890        0.6474067957        2.5358293227
H             0.3446191213        0.4293961448        1.5656714808
O            -3.1160398015       -0.7546809049       -2.1802819270
H            -2.8520413599        0.1131181339       -1.8216471452
H            -2.3612418984       -1.0436377844       -2.7185823816
    63
 Energy=    -106.836373348450
O             0.6886926592        0.8896763952       -3.8618444236
H             1.2561595563        0.7770525749       -3.0674204109
H             1.1724873954        1.4230170948       -4.4996828349
O            -0.6001620687        3.0797467271        2.3677435637
H            -1.4867511043        2.8219588970        2.0602449227
H            -0.1606627294        2.2309397374        2.5851933820
O            -0.2613693356        3.1500670983       -1.8722228048
H             0.3303512102        2.5264279022       -2.3024875798
H             0.1992407519        3.4490280321       -1.0646012699
O             0.9188425869        3.9392529727        0.4540224652
H             0.3200730511        3.6107554423        1.1917562912
H             1.0138038125        4.8811414142        0.5948713522
O            -3.2230297786       -0.4176417044        2.1955055286
H            -2.4809683373       -0.7418222416        2.7513308046
H            -3.2714033714       -1.0209139179        1.4368599349
O            -2.0602661582        1.4202419848       -0.9745079446
H            -1.5319402610        2.1493462040       -1.3704378843
H            -2.4628734015        1.7673775233       -0.1566909709
O            -1.0364377487       -1.2701152804        3.5174781847
H            -0.4651071227       -0.5011894101        3.3382824017
H            -0.5423453032       -2.0259354835        3.1703287094
O             0.6691263367       -3.1295447021        2.2685634761
H             1.4879569439       -2.6551080863        1.9641682698
H             0.9618228512       -3.9800711020        2.5949937657
O            -0.6588664775       -2.5885548280       -0.0040588524
H            -1.6284426316       -2.5638918847        0.0914067881
H            -0.2808523549       -2.8741381470        0.8494058570
O             2.9307479463       -1.8904236702       -1.4526648919
H             2.0997030390       -2.3370011038       -1.7829700264
H             3.6651454435       -2.3844801245       -1.8155889719
O             1.9939338757        0.6274766071       -1.6082403366
H             2.5004954853       -0.2041607405       -1.6013662824
H             1.2325773467        0.4413638441       -0.9983333329
O            -0.8694990905       -1.2905517359       -3.7896956671
H            -1.1378350866       -1.5105153586       -4.6825386429
H            -0.3674997883       -0.4502736056       -3.8299843587
O            -3.3186719379       -2.1607765523        0.0136925192
H            -3.2894936206       -1.6245616652       -0.8281625314
H            -4.0791051170       -2.7369102121       -0.0581193876
O             3.2714295510        0.6421220439        2.1527369743
H             3.9769757033        0.9049097603        2.7426398630
H             3.2676179066        1.3017846401        1.4027994600
O            -3.0004602789        2.0680543495        1.4686476448
H            -3.8377818027        2.4670145831        1.7038557733
H            -3.0534915592        1.1179294109        1.7835987722
O             2.8385804335       -1.9688657184        1.3335484268
H             3.0063841908       -1.0638271217        1.6452522189
H             2.8497941259       -1.9268476189        0.3621090355
O            -0.0213405669        0.0082485004       -0.0466266291
H            -0.8207534328        0.4841136409       -0.3760010896
H            -0.2345884382       -0.9504547864       -0.0715800643
O             0.7196275159       -3.0033276424       -2.2844433173
H             0.1962383748       -2.4441168739       -2.8823641549
H             0.2078668247       -3.0148255201       -1.4542827045
O             3.1373392475        2.3499525089        0.1814063108
H             2.3984627631        2.9655229058        0.3411938985
H             2.8376816973        1.7850501283       -0.5556044603
O             0.5658374720        0.6710666389        2.4918631496
H             1.5356162804        0.6475125305        2.5358692785
H             0.3451202264        0.4302457322        1.5652732921
O            -3.1123545578       -0.7547345818       -2.1823558176
H            -2.8491242806        0.1126737775       -1.8210662675
H            -2.3557437654       -1.0447325795       -2.7171889244
    63
 Energy=    -106.836618077160
O             0.6691612761        0.9216839409       -3.8359410184
H             1.2451802158        0.7903729682       -3.0455759623
H             1.1922868459        1.3754303443       -4.5102691573
O            -0.5998825288        3.0798707019        2.3672868822
H            -1.4865441781        2.8226097670        2.0595829185
H            -0.1609071689        2.2309251004        2.5849814573
O            -0.2806207516        3.1584765665       -1.8724482637
H             0.2990415434        2.5452309447       -2.3351477875
H             0.2017780981        3.4407636770       -1.0712516665
O             0.9221829398        3.9342039340        0.4520383126
H             0.3217691852        3.6081099880        1.1894299564
H             1.0134461197        4.8771527023        0.5887212653
O            -3.2236921427       -0.4185156753        2.1963885047
H            -2.4812141888       -0.7423480299        2.7518460960
H            -3.2713307029       -1.0211034526        1.4371916906
O            -2.0607138506        1.4175514057       -0.9724806504
H            -1.5352455825        2.1491971307       -1.3688160659
H            -2.4638659887        1.7644218085       -0.1549709710
O            -1.0364238551       -1.2701379874        3.5174404918
H            -0.4651971022       -0.5011586857        3.3380334508
H            -0.5423443629       -2.0259640744        3.1703358065
O             0.6690513060       -3.1298136262        2.2679289838
H             1.4879419938       -2.6549490746        1.9645532284
H             0.9619277401       -3.9799104785        2.5953090907
O            -0.6584047479       -2.5883054875       -0.0047519564
H            -1.6279519019       -2.5635555587        0.0908650063
H            -0.2804106807       -2.8738904119        0.8486935912
O             2.9330335619       -1.8960468503       -1.4527742271
H             2.1012258885       -2.3420064057       -1.7824993997
H             3.6669201814       -2.3920325287       -1.8141477710
O             1.9974498194        0.6203834158       -1.6085913816
H             2.5034154508       -0.2116770849       -1.5991595909
H             1.2373130085        0.4392759514       -0.9949229600
O            -0.8561478137       -1.2802981958       -3.7918421886
H            -1.1364743281       -1.4966022294       -4.6821078213
H            -0.3652318221       -0.4312158920       -3.8282478204
O            -3.3181940641       -2.1609579309        0.0130908980
H            -3.2889000707       -1.6244682872       -0.8285641179
H            -4.0792863697       -2.7362818574       -0.0584719243
O             3.2714357638        0.6416843207        2.1527178219
H             3.9763951904        0.9047249157        2.7431815816
H             3.2683535551        1.3012785434        1.4026967791
O            -3.0014716126        2.0677128753        1.4700257853
H            -3.8387127543        2.4670448724        1.7048695464
H            -3.0545474756        1.1178300470        1.7852871095
O             2.8387453329       -1.9689087881        1.3341847219
H             3.0065093773       -1.0637190865        1.6455287950
H             2.8507380709       -1.9276992467        0.3627987969
O            -0.0191624383        0.0091313010       -0.0472221235
H            -0.8185197321        0.4860657835       -0.3763286753
H            -0.2336614649       -0.9492909533       -0.0719424559
O             0.7196739324       -3.0054629162       -2.2840796790
H             0.1973364310       -2.4459393463       -2.8827014211
H             0.2079801851       -3.0153693484       -1.4537157099
O             3.1399439577        2.3482275493        0.1813093419
H             2.4009474709        2.9640675298        0.3405599098
H             2.8414568625        1.7841367205       -0.5564052672
O             0.5658838610        0.6704510140        2.4919357318
H             1.5356613686        0.6475670345        2.5359371829
H             0.3454356683        0.4308018633        1.5649502540
O            -3.1096484550       -0.7549944546       -2.1837913162
H            -2.8469096091        0.1121997935       -1.8208257732
H            -2.3514933569       -1.0452029624       -2.7161963848
    63
 Energy=    -106.837025731230
O             0.6442633559        0.9877618781       -3.8036002340
H             1.2237070980        0.8155149995       -3.0118636055
H             1.2193796711        1.2849934549       -4.5119134422
O            -0.5990067374        3.0802851966        2.3653927630
H            -1.4860101072        2.8236558111        2.0585020995
H            -0.1616788902        2.2310224079        2.5847821304
O            -0.3078188794        3.1745628629       -1.8750607663
H             0.2371756160        2.5785204223       -2.3995888427
H             0.2013333234        3.4289206012       -1.0802119341
O             0.9279644308        3.9245469892        0.4473608625
H             0.3255271638        3.6025345020        1.1844324577
H             1.0129332451        4.8691454787        0.5768023912
O            -3.2250810591       -0.4202903285        2.1979992188
H            -2.4817401756       -0.7432419315        2.7528753259
H            -3.2711927199       -1.0214989160        1.4376714396
O            -2.0614958620        1.4119865366       -0.9675714373
H            -1.5421224377        2.1479131460       -1.3659668538
H            -2.4667626315        1.7586270119       -0.1508246590
O            -1.0361924710       -1.2704125244        3.5178370979
H            -0.4654044138       -0.5012420850        3.3374234443
H            -0.5423516865       -2.0260499205        3.1700457567
O             0.6689165282       -3.1301256594        2.2676395909
H             1.4876559357       -2.6547918457        1.9647522768
H             0.9620004795       -3.9798702754        2.5958727108
O            -0.6575206831       -2.5874899479       -0.0057969197
H            -1.6271760913       -2.5628970971        0.0898037044
H            -0.2794879696       -2.8735302298        0.8476269107
O             2.9370399921       -1.9074791870       -1.4525184860
H             2.1035821548       -2.3508429982       -1.7818420269
H             3.6703349844       -2.4063056165       -1.8115997657
O             2.0114794631        0.6124227973       -1.5983833945
H             2.5058954548       -0.2271013530       -1.5978139218
H             1.2442768645        0.4332002013       -0.9918194271
O            -0.8381493069       -1.2657228099       -3.7891297941
H            -1.1285911603       -1.4628994128       -4.6803085202
H            -0.3646451747       -0.4055390319       -3.8270893556
O            -3.3178225634       -2.1606730069        0.0118001750
H            -3.2874700774       -1.6242786180       -0.8298254059
H            -4.0796754123       -2.7352072644       -0.0591420713
O             3.2718976227        0.6405591822        2.1530208834
H             3.9755833043        0.9042924153        2.7447559683
H             3.2692322120        1.2999718048        1.4024781988
O            -3.0030786809        2.0672751678        1.4731598245
H            -3.8404844519        2.4670057356        1.7067398016
H            -3.0566591297        1.1175832130        1.7882724064
O             2.8396846259       -1.9690510915        1.3353305936
H             3.0065989493       -1.0633214048        1.6460640424
H             2.8523335888       -1.9295551232        0.3640791033
O            -0.0157495653        0.0111405545       -0.0452016369
H            -0.8138079002        0.4888241733       -0.3777571486
H            -0.2319017301       -0.9466349005       -0.0734501001
O             0.7195310938       -3.0099405490       -2.2846199428
H             0.2010552574       -2.4462969022       -2.8823523130
H             0.2077933246       -3.0155401671       -1.4539112644
O             3.1453173694        2.3458012374        0.1792947095
H             2.4052998366        2.9604558128        0.3393551953
H             2.8473992687        1.7816962986       -0.5585552626
O             0.5659776256        0.6699744929        2.4917851832
H             1.5357477288        0.6474788468        2.5362227214
H             0.3458375678        0.4314365816        1.5643777883
O            -3.1033536226       -0.7570526713       -2.1863194732
H            -2.8425260968        0.1101917393       -1.8214697891
H            -2.3412863505       -1.0436610807       -2.7145395003
    63
 Energy=    -106.837208191110
O             0.6356838187        1.0300063023       -3.7785243827
H             1.2042571344        0.8389002664       -2.9895578683
H             1.2356264408        1.2197311334       -4.5082075213
O            -0.5983121989        3.0805234461        2.3636190129
H            -1.4856214923        2.8245499445        2.0576016722
H            -0.1620477274        2.2312762445        2.5846214327
O            -0.3322885195        3.1878483590       -1.8799496392
H             0.1900018369        2.6081221749       -2.4438933556
H             0.2011138397        3.4162936707       -1.0932849084
O             0.9313482416        3.9168652221        0.4425922348
H             0.3288971315        3.5973783948        1.1800221009
H             1.0128992061        4.8625324512        0.5667781610
O            -3.2261860444       -0.4216666869        2.1991897328
H            -2.4822730816       -0.7439093508        2.7537294674
H            -3.2710572576       -1.0218670419        1.4380842409
O            -2.0619752289        1.4079532697       -0.9637679575
H            -1.5474729782        2.1472571748       -1.3632502104
H            -2.4690230150        1.7535840218       -0.1472983835
O            -1.0359396189       -1.2706419236        3.5181952721
H            -0.4655157605       -0.5013416719        3.3368767975
H            -0.5423520947       -2.0261198171        3.1697323271
O             0.6687424733       -3.1303362452        2.2674558462
H             1.4874818257       -2.6547643203        1.9648118872
H             0.9620056348       -3.9798044658        2.5962934927
O            -0.6566866345       -2.5866662108       -0.0068014654
H            -1.6262824863       -2.5623493088        0.0891218007
H            -0.2789194633       -2.8730597415        0.8466975651
O             2.9395728551       -1.9166719405       -1.4530219578
H             2.1056628889       -2.3588622792       -1.7814529671
H             3.6725726435       -2.4177372443       -1.8094252133
O             2.0194304759        0.6046025057       -1.5923337340
H             2.5074916814       -0.2381080050       -1.5969368388
H             1.2506580533        0.4287891772       -0.9879082685
O            -0.8254191500       -1.2514585290       -3.7893610181
H            -1.1236686469       -1.4383893367       -4.6802773583
H            -0.3632453752       -0.3847596867       -3.8178365949
O            -3.3176546842       -2.1601455121        0.0108554553
H            -3.2863660243       -1.6247091387       -0.8309076541
H            -4.0798986999       -2.7341679159       -0.0598743029
O             3.2722034626        0.6397387063        2.1532853806
H             3.9749830744        0.9040778271        2.7458988609
H             3.2699763555        1.2987875931        1.4019864400
O            -3.0045420422        2.0667219856        1.4755452486
H            -3.8419077394        2.4669743831        1.7082947181
H            -3.0582983636        1.1172503691        1.7908145309
O             2.8403620676       -1.9693888224        1.3365506023
H             3.0066525583       -1.0630557258        1.6461683126
H             2.8537944099       -1.9309265881        0.3654083720
O            -0.0135476541        0.0119669356       -0.0450628174
H            -0.8103798418        0.4913892757       -0.3781997999
H            -0.2305050000       -0.9453272155       -0.0737945242
O             0.7192320355       -3.0127003259       -2.2852699753
H             0.2050483348       -2.4448880953       -2.8818792416
H             0.2073792687       -3.0159259974       -1.4544774479
O             3.1506145212        2.3442058942        0.1779692119
H             2.4088721272        2.9568240487        0.3378578838
H             2.8519683549        1.7794900712       -0.5593082940
O             0.5659425009        0.6697424516        2.4922499681
H             1.5357317668        0.6473993036        2.5363654668
H             0.3463331935        0.4320433183        1.5645827570
O            -3.0969228459       -0.7586121585       -2.1889254101
H            -2.8399158323        0.1087843217       -1.8213065852
H            -2.3318036133       -1.0424913394       -2.7136510778
    63
 Energy=    -106.837420129980
O             0.6357539998        1.0668210195       -3.7598124338
H             1.1870192389        0.8763340331       -2.9525798918
H             1.2467269028        1.1438787963       -4.4882301063
O            -0.5969061244        3.0809839728        2.3600551884
H            -1.4850918200        2.8259874397        2.0560355709
H            -0.1621459966        2.2321097192        2.5845663276
O            -0.3734976243        3.2089570816       -1.8935049124
H             0.1243871263        2.6568852963       -2.5012777624
H             0.1960364953        3.3967397327       -1.1238583506
O             0.9340867449        3.9031892208        0.4296927470
H             0.3345497073        3.5882291294        1.1707925280
H             1.0134959436        4.8498307369        0.5491956784
O            -3.2277403586       -0.4236443424        2.2009249521
H            -2.4834195421       -0.7449678293        2.7553709902
H            -3.2709066931       -1.0226366511        1.4387827653
O            -2.0622025669        1.4026301539       -0.9575567120
H            -1.5571113597        2.1483777145       -1.3577136620
H            -2.4723042016        1.7447280017       -0.1410132990
O            -1.0355546628       -1.2710048336        3.5183865076
H            -0.4655444480       -0.5015992738        3.3362716195
H            -0.5423086328       -2.0263600481        3.1692091661
O             0.6683209126       -3.1305665005        2.2667621972
H             1.4873019972       -2.6551098885        1.9649145789
H             0.9616721679       -3.9795027315        2.5969033952
O            -0.6553093387       -2.5853110029       -0.0082440458
H            -1.6248431954       -2.5611722828        0.0880774837
H            -0.2777290298       -2.8720006918        0.8452792241
O             2.9425954823       -1.9311781476       -1.4541766827
H             2.1085840130       -2.3742513224       -1.7818547824
H             3.6752806527       -2.4360278461       -1.8059081699
O             2.0245838101        0.5929583653       -1.5875295796
H             2.5089335289       -0.2520632065       -1.5969143694
H             1.2602432295        0.4208911741       -0.9755211351
O            -0.8120012350       -1.2279751248       -3.7883009381
H            -1.1145845520       -1.3978188796       -4.6815008776
H            -0.3619015338       -0.3528604342       -3.7876383318
O            -3.3176847475       -2.1588112423        0.0095809250
H            -3.2839188403       -1.6263936029       -0.8338567020
H            -4.0803027484       -2.7323622477       -0.0613190931
O             3.2720380218        0.6389680885        2.1534240877
H             3.9738409491        0.9041086224        2.7468477939
H             3.2722697232        1.2965332275        1.4008633629
O            -3.0071822727        2.0651737827        1.4786830894
H            -3.8440873536        2.4666744636        1.7109819052
H            -3.0611021675        1.1163142108        1.7954372761
O             2.8412006548       -1.9698659583        1.3386112661
H             3.0068961023       -1.0627872529        1.6463933989
H             2.8566131817       -1.9336484587        0.3675594514
O            -0.0103626315        0.0119694068       -0.0456698628
H            -0.8070185751        0.4942484797       -0.3768326118
H            -0.2296300629       -0.9451169791       -0.0725415161
O             0.7180683842       -3.0148992286       -2.2872895482
H             0.2133881658       -2.4365751980       -2.8815190879
H             0.2053855284       -3.0170892418       -1.4568388449
O             3.1593079454        2.3413475187        0.1759008661
H             2.4148748745        2.9511580799        0.3350625349
H             2.8607515134        1.7735296366       -0.5585806293
O             0.5662731905        0.6695355668        2.4938866911
H             1.5361058782        0.6474157463        2.5374140095
H             0.3466550644        0.4329359221        1.5661409021
O            -3.0842892711       -0.7618322957       -2.1935577062
H            -2.8371519965        0.1060656847       -1.8202527631
H            -2.3128964471       -1.0393196803       -2.7131045957
    63
 Energy=    -106.837488189660
O             0.6358455579        1.0696097329       -3.7565659649
H             1.1856124920        0.8814210260       -2.9476200923
H             1.2480851995        1.1349151984       -4.4861565090
O            -0.5966895721        3.0810713091        2.3595749815
H            -1.4849855660        2.8261899910        2.0558079832
H            -0.1621467315        2.2322380312        2.5845647129
O            -0.3794051857        3.2118291245       -1.8947801445
H             0.1166386866        2.6627305877       -2.5094935817
H             0.1947761451        3.3950214359       -1.1280385117
O             0.9343822702        3.9011357773        0.4276582538
H             0.3351968889        3.5870107887        1.1692393960
H             1.0135974929        4.8478175873        0.5466054660
O            -3.2279238648       -0.4238878986        2.2011723677
H            -2.4835744576       -0.7451513629        2.7556214358
H            -3.2709070320       -1.0227448657        1.4388981461
O            -2.0621562901        1.4020645089       -0.9567229903
H            -1.5586342857        2.1487755277       -1.3569257510
H            -2.4726476838        1.7435312317       -0.1401623185
O            -1.0355623171       -1.2710380697        3.5183062982
H            -0.4655263145       -0.5016213125        3.3362656429
H            -0.5422935075       -2.0264131623        3.1691831782
O             0.6682464074       -3.1306291154        2.2665309564
H             1.4873295073       -2.6551418975        1.9649895388
H             0.9615867336       -3.9794332442        2.5969937693
O            -0.6551768855       -2.5851663178       -0.0083824276
H            -1.6246968822       -2.5609879985        0.0879030794
H            -0.2775057168       -2.8718660404        0.8450792738
O             2.9429842023       -1.9331882588       -1.4542807864
H             2.1090254688       -2.3763576417       -1.7819374997
H             3.6756268634       -2.4384740296       -1.8054102307
O             2.0242447300        0.5913015897       -1.5874719708
H             2.5091812222       -0.2535478435       -1.5969830597
H             1.2615803623        0.4197747558       -0.9734102446
O            -0.8099608985       -1.2245890676       -3.7878282843
H            -1.1130849646       -1.3918585167       -4.6812905154
H            -0.3618977649       -0.3482099843       -3.7836544060
O            -3.3176551240       -2.1586714165        0.0093403016
H            -3.2834752974       -1.6266571149       -0.8343162825
H            -4.0803490622       -2.7321074122       -0.0615042759
O             3.2719351557        0.6389088904        2.1534073434
H             3.9736387774        0.9041139738        2.7468882130
H             3.2727518664        1.2963058107        1.4006866883
O            -3.0075626810        2.0649091457        1.4790346779
H            -3.8443664818        2.4666028223        1.7113624149
H            -3.0615226075        1.1161600960        1.7961152249
O             2.8412416089       -1.9698915162        1.3388298623
H             3.0069749323       -1.0627654008        1.6465113162
H             2.8570386041       -1.9341063925        0.3677532712
O            -0.0099574122        0.0119304418       -0.0456534817
H            -0.8066600805        0.4943725317       -0.3764488307
H            -0.2296381351       -0.9450807447       -0.0723014304
O             0.7178712645       -3.0150309601       -2.2875685378
H             0.2143678965       -2.4353794665       -2.8815926726
H             0.2050192030       -3.0172907983       -1.4572460125
O             3.1603008274        2.3407210541        0.1758267358
H             2.4157192862        2.9506454347        0.3346669679
H             2.8622687239        1.7725325245       -0.5585220905
O             0.5663769067        0.6694469083        2.4941343316
H             1.5362223766        0.6474493892        2.5376642959
H             0.3466397725        0.4330409550        1.5663369236
O            -3.0827056543       -0.7622800548       -2.1940799996
H            -2.8367040439        0.1056382007       -1.8201214025
H            -2.3104238296       -1.0388908780       -2.7129732638
    63
 Energy=    -106.837535833950
O             0.6364790766        1.0734215484       -3.7475144240
H             1.1840309471        0.8955065952       -2.9341526651
H             1.2510773895        1.1126469422       -4.4802198023
O            -0.5959597496        3.0814077844        2.3580663299
H            -1.4845862190        2.8267583616        2.0551410446
H            -0.1621410840        2.2326485264        2.5845806318
O            -0.3948741746        3.2184910074       -1.8998149240
H             0.0954823673        2.6789883204       -2.5320355878
H             0.1896910109        3.3925844544       -1.1393531838
O             0.9349893449        3.8947893561        0.4211152875
H             0.3367363546        3.5833661485        1.1641279470
H             1.0140198791        4.8415878607        0.5386902929
O            -3.2284161072       -0.4245701436        2.2019049202
H            -2.4840228172       -0.7457507953        2.7563767970
H            -3.2709476479       -1.0230489512        1.4392686755
O            -2.0619934890        1.4006149997       -0.9542415858
H            -1.5634066296        2.1504054897       -1.3547004559
H            -2.4735284581        1.7401243323       -0.1375865890
O            -1.0356724219       -1.2711233402        3.5179164809
H            -0.4654381781       -0.5016935441        3.3363907617
H            -0.5422393927       -2.0265942823        3.1691634125
O             0.6680372766       -3.1308513628        2.2657088369
H             1.4874710401       -2.6552109713        1.9652588769
H             0.9612306019       -3.9792093260        2.5972607224
O            -0.6549010288       -2.5847898210       -0.0086901575
H            -1.6244020432       -2.5604262952        0.0873755795
H            -0.2767709122       -2.8715200558        0.8445270736
O             2.9440960594       -1.9390247102       -1.4543771773
H             2.1102465142       -2.3822869077       -1.7822661724
H             3.6765765438       -2.4453602911       -1.8039635623
O             2.0224723238        0.5869316674       -1.5872083921
H             2.5094533329       -0.2568192304       -1.5977163070
H             1.2649586392        0.4162230493       -0.9668228704
O            -0.8047548044       -1.2151880040       -3.7855017775
H            -1.1076946537       -1.3732581640       -4.6794791424
H            -0.3622871104       -0.3350781499       -3.7725440371
O            -3.3175387304       -2.1583145754        0.0085470431
H            -3.2819401819       -1.6274953660       -0.8358246060
H            -4.0804586083       -2.7313554291       -0.0620343811
O             3.2715893849        0.6388213757        2.1533198485
H             3.9730144758        0.9040962536        2.7469346233
H             3.2743636821        1.2957746965        1.4001202571
O            -3.0086737531        2.0640594387        1.4799830496
H            -3.8451304695        2.4663271418        1.7124705300
H            -3.0628035818        1.1156503792        1.7981094716
O             2.8412924833       -1.9699031996        1.3393261649
H             3.0072604659       -1.0627595029        1.6469561270
H             2.8583143022       -1.9355866318        0.3681443613
O            -0.0089958509        0.0116855480       -0.0448894581
H            -0.8058314845        0.4941751788       -0.3750561454
H            -0.2298753008       -0.9450030825       -0.0715379159
O             0.7171904516       -3.0150796641       -2.2886274965
H             0.2170242104       -2.4315574015       -2.8818638017
H             0.2036917771       -3.0178243456       -1.4587310883
O             3.1627934125        2.3386281244        0.1758920103
H             2.4182465157        2.9493959914        0.3333483455
H             2.8670405781        1.7693052561       -0.5584816384
O             0.5667518990        0.6691549151        2.4948823726
H             1.5366424044        0.6475796265        2.5385682079
H             0.3465271567        0.4332662499        1.5669404625
O            -3.0782946347       -0.7637525889       -2.1953913305
H            -2.8352484672        0.1042529437       -1.8198209777
H            -2.3034528169       -1.0374758301       -2.7124594122
    63
 Energy=    -106.837649086550
O             0.6394300113        1.0563298150       -3.7394760760
H             1.1954331795        0.9027185981       -2.9283040231
H             1.2491142284        1.1122200645       -4.4755074967
O            -0.5944894284        3.0821492044        2.3554354553
H            -1.4836188807        2.8272150352        2.0544174488
H            -0.1619293101        2.2333474856        2.5845695759
O            -0.4046185284        3.2203331478       -1.9103145581
H             0.0862143872        2.6874928687       -2.5468412873
H             0.1767257964        3.4037480811       -1.1477429171
O             0.9334105351        3.8868325295        0.4107944300
H             0.3358865001        3.5780461123        1.1554904885
H             1.0155765151        4.8333861696        0.5279503110
O            -3.2288732663       -0.4252346425        2.2028352913
H            -2.4844104136       -0.7467481517        2.7571289484
H            -3.2711856412       -1.0232534929        1.4398100964
O            -2.0620006846        1.4006152179       -0.9516647608
H            -1.5699797072        2.1538949628       -1.3531206643
H            -2.4738624594        1.7371472805       -0.1340517113
O            -1.0361939988       -1.2712224459        3.5169123352
H            -0.4651506730       -0.5018922784        3.3372040610
H            -0.5421617117       -2.0268459794        3.1693076472
O             0.6679452483       -3.1311385311        2.2643883325
H             1.4878901020       -2.6551288414        1.9656001685
H             0.9602726009       -3.9790394531        2.5975406383
O            -0.6551543310       -2.5846292060       -0.0088265232
H            -1.6247045747       -2.5598872939        0.0870582766
H            -0.2759912741       -2.8714354366        0.8439536888
O             2.9450320137       -1.9444116867       -1.4533491299
H             2.1110716797       -2.3864756974       -1.7828837175
H             3.6772941117       -2.4510846937       -1.8024977787
O             2.0184109062        0.5866481857       -1.5832546895
H             2.5069989922       -0.2553302944       -1.6019924388
H             1.2646058156        0.4109998248       -0.9590110602
O            -0.8034515678       -1.2063529846       -3.7770514901
H            -1.0984399073       -1.3499658969       -4.6733836089
H            -0.3627284805       -0.3241100413       -3.7617387550
O            -3.3170434266       -2.1581684498        0.0074308675
H            -3.2790492677       -1.6289765829       -0.8381897013
H            -4.0804053419       -2.7304561367       -0.0627432984
O             3.2714435452        0.6391190723        2.1530642841
H             3.9724655673        0.9037443674        2.7471387527
H             3.2765412518        1.2958065315        1.3993370252
O            -3.0097280365        2.0628456907        1.4809510484
H            -3.8457747224        2.4657312424        1.7135791676
H            -3.0643123853        1.1146556008        1.8000664660
O             2.8411247962       -1.9700215398        1.3392260622
H             3.0077377228       -1.0631348135        1.6473652913
H             2.8597438619       -1.9375473728        0.3678582889
O            -0.0099192922        0.0104974225       -0.0393854493
H            -0.8060705768        0.4916578668       -0.3722754541
H            -0.2308454864       -0.9460097436       -0.0701905262
O             0.7159595874       -3.0135404200       -2.2910903452
H             0.2183041573       -2.4257592348       -2.8823517357
H             0.2009265419       -3.0177722253       -1.4622389520
O             3.1644138696        2.3351540910        0.1770328458
H             2.4208206035        2.9482951109        0.3301498290
H             2.8729145282        1.7651082743       -0.5586754217
O             0.5672388655        0.6690063864        2.4962437973
H             1.5371575888        0.6477953021        2.5400266083
H             0.3465319742        0.4329866559        1.5681821695
O            -3.0750057865       -0.7656442272       -2.1954658724
H            -2.8330744943        0.1023603012       -1.8195540986
H            -2.2979523304       -1.0359131048       -2.7113666761
    63
 Energy=    -106.838556331040
O             0.6947577186        1.1474226501       -3.6544186606
H             1.2536151891        0.9393028993       -2.8551634295
H             1.2869565345        1.1883704841       -4.4054209112
O            -0.5698603244        3.0870995017        2.2820171546
H            -1.4733647606        2.8256102720        2.0351732520
H            -0.1366374005        2.2509092116        2.5527738780
O            -0.5546746840        3.2705631506       -2.0382620450
H            -0.0490810977        2.7068788845       -2.6384181564
H             0.0258807305        3.4786094669       -1.2823389206
O             0.8887188337        3.7976993308        0.2489848103
H             0.3071092907        3.5078968388        1.0136118928
H             1.0261213483        4.7365045625        0.3818457402
O            -3.2415811139       -0.4439148013        2.2122212594
H            -2.4922565692       -0.7623563622        2.7615180194
H            -3.2755311712       -1.0333199136        1.4417832396
O            -2.0602490344        1.4018981428       -0.9264503160
H            -1.6210440366        2.1637290304       -1.3717829241
H            -2.4626075042        1.7423100161       -0.1066010458
O            -1.0385508738       -1.2767675152        3.5172546127
H            -0.4664776072       -0.5057238891        3.3529621642
H            -0.5422096126       -2.0280504729        3.1614441108
O             0.6664079669       -3.1298075398        2.2591639658
H             1.4899738169       -2.6600823157        1.9611331280
H             0.9531298825       -3.9777307815        2.5979676188
O            -0.6557994929       -2.6038295301       -0.0200543662
H            -1.6245697913       -2.5760382719        0.0819528563
H            -0.2761334836       -2.8896202628        0.8328255724
O             2.9469080639       -1.9942180931       -1.4442431991
H             2.1057946637       -2.3998340511       -1.8026391956
H             3.6705961765       -2.5217625899       -1.7798358160
O             2.0600677859        0.5340360223       -1.5144231440
H             2.5125878546       -0.3290159536       -1.5365034237
H             1.2840694791        0.3850482527       -0.9142724212
O            -0.7563803721       -1.0982063472       -3.7153888122
H            -1.0639754212       -1.1674290496       -4.6178757918
H            -0.3008465147       -0.2295011260       -3.6361802611
O            -3.3073052839       -2.1644192792        0.0081207415
H            -3.2595195795       -1.6300029099       -0.8343065064
H            -4.0769516228       -2.7273518363       -0.0716105490
O             3.2781362734        0.6310162208        2.1590274028
H             3.9732193756        0.8903951717        2.7624271906
H             3.2921525357        1.2939707657        1.4110122480
O            -3.0164904662        2.0524957324        1.5151075511
H            -3.8589381415        2.4511473878        1.7309749399
H            -3.0744935532        1.1027411938        1.8290744583
O             2.8490515763       -1.9796832964        1.3373492709
H             3.0127809835       -1.0713156453        1.6402639162
H             2.8667985129       -1.9514971458        0.3651510852
O            -0.0147628069       -0.0035955289        0.0021660236
H            -0.7986673527        0.4906862890       -0.3371266359
H            -0.2411130402       -0.9591537198       -0.0440778677
O             0.7000361146       -2.9914247570       -2.3205854819
H             0.2129175278       -2.3781701405       -2.8934133478
H             0.1879866988       -3.0112098447       -1.4897801345
O             3.1955163047        2.3254464506        0.1737444013
H             2.4251507195        2.9127200585        0.2777041554
H             2.9406506827        1.7221380990       -0.5491884405
O             0.5754168201        0.6760736042        2.5293359468
H             1.5457667162        0.6506150360        2.5622299830
H             0.3466450678        0.4263907241        1.6069573101
O            -3.0643208395       -0.7588686691       -2.1817699591
H            -2.8205853412        0.1029635487       -1.7892375222
H            -2.2834312509       -1.0280297619       -2.6904011375
    63
 Energy=    -106.838749592840
O             0.7100096358        1.1723864281       -3.6306010096
H             1.2771683465        0.9571902576       -2.8381389555
H             1.3003938508        1.2463772598       -4.3824656334
O            -0.5644808015        3.0875523397        2.2571848814
H            -1.4707035502        2.8216403914        2.0264367202
H            -0.1291438002        2.2554167552        2.5365459767
O            -0.5774212089        3.2681711357       -2.0632862700
H            -0.0744917840        2.6872264257       -2.6478756734
H            -0.0000687500        3.4799159786       -1.3040645213
O             0.8727452529        3.7887375639        0.2087940471
H             0.3013949599        3.4964082296        0.9806968900
H             1.0249481944        4.7227034573        0.3483228766
O            -3.2437531159       -0.4483065563        2.2143123133
H            -2.4939602954       -0.7663610108        2.7635567972
H            -3.2772713334       -1.0371123472        1.4437947562
O            -2.0582873340        1.4014670323       -0.9211866535
H            -1.6276669709        2.1625060845       -1.3796603419
H            -2.4600491423        1.7487899447       -0.1039020803
O            -1.0381688547       -1.2808366142        3.5192917296
H            -0.4686616908       -0.5052724928        3.3593097302
H            -0.5423995355       -2.0273929383        3.1585523971
O             0.6670164235       -3.1309985705        2.2589827708
H             1.4903770420       -2.6610964291        1.9577369598
H             0.9532535377       -3.9769669562        2.5980866811
O            -0.6551320447       -2.6085089397       -0.0213219516
H            -1.6250259040       -2.5861274544        0.0791844074
H            -0.2726019068       -2.8968298341        0.8289698849
O             2.9443518526       -2.0090333386       -1.4418189853
H             2.1015035699       -2.4119633261       -1.8009230502
H             3.6666707258       -2.5371331933       -1.7801141643
O             2.0655689635        0.5237046881       -1.5036966191
H             2.5201384931       -0.3370744064       -1.5240097569
H             1.2918561145        0.3752948561       -0.8973022258
O            -0.7572216219       -1.0711876424       -3.7035628322
H            -1.0639392463       -1.1454980682       -4.6081719444
H            -0.2869128902       -0.2081127970       -3.6389438322
O            -3.3087130206       -2.1683585253        0.0101267755
H            -3.2657704673       -1.6263856582       -0.8286124068
H            -4.0765253044       -2.7312935858       -0.0699714183
O             3.2805444307        0.6287934835        2.1634826641
H             3.9764294475        0.8853899080        2.7682294647
H             3.2895275344        1.2916565862        1.4168333524
O            -3.0158740322        2.0508617348        1.5205509515
H            -3.8607509747        2.4467925274        1.7366176197
H            -3.0735695713        1.1003136972        1.8296519080
O             2.8488512325       -1.9823697451        1.3398516413
H             3.0144909110       -1.0713169147        1.6388741278
H             2.8652099106       -1.9603547045        0.3693314880
O            -0.0101060384       -0.0035372913        0.0004603986
H            -0.7980419449        0.4927568568       -0.3280626072
H            -0.2409052716       -0.9571401530       -0.0371711610
O             0.7001786805       -2.9921656145       -2.3245697064
H             0.2143243307       -2.3715224937       -2.8934769479
H             0.1910199352       -3.0079358995       -1.4929993542
O             3.2012417386        2.3303711164        0.1677206743
H             2.4151496624        2.9002858356        0.2643701218
H             2.9516718941        1.7131262242       -0.5451623185
O             0.5787399509        0.6792231947        2.5359944313
H             1.5487763083        0.6507508635        2.5698508635
H             0.3473664117        0.4233309404        1.6161041555
O            -3.0684024271       -0.7518183183       -2.1709682429
H            -2.8233154696        0.1096919767       -1.7813706690
H            -2.2850719375       -1.0180643554       -2.6808896458
    63
 Energy=    -106.838856532360
O             0.7165594838        1.1890738144       -3.6181416553
H             1.2864506282        0.9717267032       -2.8300175055
H             1.3101449890        1.2751572524       -4.3632338395
O            -0.5622005359        3.0873855941        2.2448564410
H            -1.4693905457        2.8198045015        2.0198396698
H            -0.1253508981        2.2571519091        2.5269093325
O            -0.5884341511        3.2643524075       -2.0737768181
H            -0.0918387147        2.6773102324       -2.6581466976
H            -0.0087222160        3.4716204242       -1.3151910508
O             0.8678801109        3.7861513551        0.1930722263
H             0.2976896206        3.4914372187        0.9652531311
H             1.0236283734        4.7206651556        0.3301010981
O            -3.2434157531       -0.4490792418        2.2148836805
H            -2.4954489303       -0.7685442031        2.7651072242
H            -3.2783949203       -1.0398711010        1.4454987911
O            -2.0559260924        1.4013066474       -0.9177074861
H            -1.6302169805        2.1601266718       -1.3827381159
H            -2.4609720381        1.7517251341       -0.1019115816
O            -1.0384705141       -1.2809557285        3.5209634961
H            -0.4701845489       -0.5061743194        3.3632046103
H            -0.5411520553       -2.0275456131        3.1565760081
O             0.6674804745       -3.1310923135        2.2576607835
H             1.4902834984       -2.6610152372        1.9566355675
H             0.9541026381       -3.9781502637        2.5992531002
O            -0.6540083408       -2.6085557787       -0.0224775194
H            -1.6233265814       -2.5919109137        0.0778284134
H            -0.2713891669       -2.9005337500        0.8271940578
O             2.9432550347       -2.0188761678       -1.4401765656
H             2.1002135285       -2.4219773896       -1.7974193419
H             3.6650247449       -2.5460051105       -1.7819311598
O             2.0718607474        0.5212040574       -1.4948760504
H             2.5244384202       -0.3403880701       -1.5233398401
H             1.2974653028        0.3686877416       -0.8908279570
O            -0.7575474160       -1.0558186776       -3.7020316429
H            -1.0658095506       -1.1383445758       -4.6055635364
H            -0.2825500626       -0.1956731391       -3.6428343749
O            -3.3099004447       -2.1692324599        0.0118938260
H            -3.2711630738       -1.6251503746       -0.8248942851
H            -4.0775923827       -2.7350040444       -0.0685434716
O             3.2810485772        0.6296567981        2.1655076606
H             3.9780813531        0.8829595428        2.7698751346
H             3.2892570246        1.2921373796        1.4182613944
O            -3.0165607129        2.0500127186        1.5222667492
H            -3.8604139453        2.4448147778        1.7398172829
H            -3.0726272043        1.0981802738        1.8289000844
O             2.8482899463       -1.9828767160        1.3438452027
H             3.0150160400       -1.0723630858        1.6381368659
H             2.8643615182       -1.9665637453        0.3715103994
O            -0.0099890824       -0.0023739884        0.0057250765
H            -0.7956567823        0.4944742151       -0.3272224052
H            -0.2397251596       -0.9560106078       -0.0368341479
O             0.6996547537       -2.9944232337       -2.3275775595
H             0.2176995738       -2.3682644796       -2.8907985567
H             0.1920976186       -3.0062160616       -1.4936525052
O             3.1997033182        2.3284347317        0.1694857935
H             2.4098101488        2.8951818467        0.2563172587
H             2.9564151203        1.7101239200       -0.5442914085
O             0.5789116923        0.6797242664        2.5387667827
H             1.5492811260        0.6500104436        2.5728590902
H             0.3504700817        0.4222212354        1.6187106078
O            -3.0688949917       -0.7481538892       -2.1661941950
H            -2.8273783688        0.1154894449       -1.7759671361
H            -2.2854122250       -1.0104065319       -2.6748889535
    63
 Energy=    -106.839017165200
O             0.7363410172        1.2159038603       -3.5958809342
H             1.3028574364        0.9784413907       -2.8085113858
H             1.3289874593        1.3486347373       -4.3363074065
O            -0.5581754054        3.0861583653        2.2243457201
H            -1.4663992696        2.8179210312        2.0029606154
H            -0.1192192819        2.2575615370        2.5094753965
O            -0.6064241960        3.2541878841       -2.0950125938
H            -0.1117977907        2.6587715599       -2.6760512511
H            -0.0224021446        3.4576491822       -1.3392436222
O             0.8669032832        3.7782883259        0.1648443155
H             0.2911457643        3.4929288934        0.9358830948
H             1.0156336410        4.7148560886        0.2961474373
O            -3.2421855163       -0.4501374202        2.2154981653
H            -2.4967181876       -0.7709597024        2.7685175825
H            -3.2804498474       -1.0443760586        1.4492196921
O            -2.0553378179        1.3988650884       -0.9079734481
H            -1.6374928961        2.1574100226       -1.3831734693
H            -2.4633425660        1.7534103499       -0.0969607458
O            -1.0381931211       -1.2838927084        3.5236285520
H            -0.4715875148       -0.5065349468        3.3693667797
H            -0.5389872045       -2.0261824486        3.1543615928
O             0.6656829653       -3.1354645894        2.2531637082
H             1.4890090780       -2.6613688320        1.9599518053
H             0.9559567144       -3.9777165516        2.6016627033
O            -0.6504525723       -2.6093459535       -0.0258343837
H            -1.6197808965       -2.5951908526        0.0741671718
H            -0.2693193485       -2.9029545707        0.8236543654
O             2.9447525114       -2.0330801998       -1.4404304940
H             2.1007041899       -2.4425082569       -1.7872187068
H             3.6633244094       -2.5623748209       -1.7847019794
O             2.0790864484        0.5151187050       -1.4856994759
H             2.5312506328       -0.3453666093       -1.5315019512
H             1.3062322612        0.3605096088       -0.8791247798
O            -0.7532266941       -1.0372844565       -3.7003350649
H            -1.0680532395       -1.1231035364       -4.6006608799
H            -0.2816879580       -0.1764099121       -3.6413843869
O            -3.3139097105       -2.1735586283        0.0152226569
H            -3.2762504636       -1.6262355272       -0.8192962130
H            -4.0796732645       -2.7411846495       -0.0657877747
O             3.2796772331        0.6305568305        2.1664348006
H             3.9803224898        0.8818537346        2.7669035932
H             3.2925130625        1.2965488827        1.4214759731
O            -3.0180682924        2.0466426937        1.5226820090
H            -3.8598204154        2.4417523875        1.7474192252
H            -3.0720086866        1.0938134915        1.8276202026
O             2.8490893094       -1.9861787071        1.3493903561
H             3.0143386108       -1.0725330996        1.6380128937
H             2.8654130601       -1.9784585099        0.3777498792
O            -0.0095837748       -0.0037565510        0.0171719505
H            -0.7895853428        0.4953956434       -0.3266666544
H            -0.2412863548       -0.9558298004       -0.0365519923
O             0.6912906103       -2.9949118649       -2.3313521582
H             0.2213157414       -2.3540673909       -2.8899569056
H             0.1871611832       -3.0082700719       -1.4958412625
O             3.1896022924        2.3219511958        0.1794657552
H             2.4019431345        2.8951059700        0.2461862382
H             2.9669088958        1.7017978324       -0.5395273069
O             0.5800526029        0.6770982844        2.5435486972
H             1.5498540974        0.6494374798        2.5803796860
H             0.3541664181        0.4216049459        1.6218974555
O            -3.0719727695       -0.7394517283       -2.1570876498
H            -2.8377534180        0.1235693137       -1.7622927645
H            -2.2838594888       -0.9942987571       -2.6645329467
    63
 Energy=    -106.839222832470
O             0.7507897748        1.2362819142       -3.5899855659
H             1.3017266324        0.9751972225       -2.8002644624
H             1.3641717324        1.4785667730       -4.2844974650
O            -0.5543436988        3.0830791918        2.1930679445
H            -1.4622078265        2.8143371077        1.9726803087
H            -0.1198868987        2.2553716131        2.4869102472
O            -0.6114454953        3.2288576393       -2.1160962738
H            -0.1259549468        2.6310623223       -2.7027560597
H            -0.0168650606        3.4366933901       -1.3707530505
O             0.8661522626        3.7843559878        0.1348845202
H             0.2986106459        3.5004692426        0.9127652969
H             0.9958945769        4.7265694456        0.2442194466
O            -3.2394584380       -0.4547165519        2.2195973259
H            -2.4905486597       -0.7713432758        2.7707776690
H            -3.2783477417       -1.0510985331        1.4551167236
O            -2.0583986267        1.3915935333       -0.8961958157
H            -1.6443863211        2.1494931662       -1.3740315523
H            -2.4674855365        1.7449072200       -0.0845473812
O            -1.0355969913       -1.2859670426        3.5256918517
H            -0.4689828074       -0.5084159774        3.3722094977
H            -0.5374854746       -2.0284435343        3.1554628133
O             0.6621861077       -3.1386967007        2.2565472833
H             1.4863300014       -2.6651449802        1.9654125297
H             0.9512812637       -3.9801757510        2.6086772062
O            -0.6563243970       -2.6036820901       -0.0274183506
H            -1.6253838474       -2.5847310174        0.0764090270
H            -0.2714925445       -2.8993313627        0.8193712131
O             2.9478713414       -2.0582318101       -1.4336106949
H             2.0999731192       -2.4539314013       -1.7859579651
H             3.6643696492       -2.5832067094       -1.7892446745
O             2.0948452693        0.4930438964       -1.4876241679
H             2.5320138005       -0.3756003998       -1.5387461822
H             1.3212455050        0.3464720592       -0.8817995335
O            -0.7534225109       -1.0163844473       -3.6938778086
H            -1.0600182494       -1.1000174281       -4.5977755683
H            -0.2790978499       -0.1596189612       -3.6370835517
O            -3.3145308403       -2.1825059878        0.0176449948
H            -3.2757521860       -1.6354327237       -0.8172849704
H            -4.0819874886       -2.7482527128       -0.0631827279
O             3.2785096398        0.6310517870        2.1704330676
H             3.9876368535        0.8798998895        2.7620155383
H             3.2793695080        1.2994224119        1.4276886930
O            -3.0244293306        2.0438666115        1.5276579255
H            -3.8613412617        2.4409281889        1.7654089795
H            -3.0761552434        1.0905264555        1.8315538717
O             2.8503268617       -1.9892373924        1.3580983427
H             3.0116867210       -1.0738123444        1.6422899002
H             2.8777118836       -1.9865527425        0.3868409716
O             0.0011751582       -0.0058050711        0.0129628238
H            -0.7804300454        0.4951759157       -0.3221468536
H            -0.2353468595       -0.9579829939       -0.0374784058
O             0.6818393729       -2.9875586264       -2.3355253637
H             0.2220111893       -2.3341385389       -2.8868986258
H             0.1645864659       -3.0139497918       -1.5083807158
O             3.1849300120        2.3294156789        0.1880810428
H             2.3974362853        2.9029904175        0.2501955708
H             2.9592030827        1.7018760984       -0.5227786444
O             0.5784316344        0.6770083625        2.5447206208
H             1.5482921134        0.6491456346        2.5867543955
H             0.3577691119        0.4150426652        1.6234988778
O            -3.0774104707       -0.7363012810       -2.1456529438
H            -2.8516384420        0.1234971529       -1.7371897759
H            -2.2857103869       -0.9751732097       -2.6533518933
    63
 Energy=    -106.839260536690
O             0.7583974854        1.2421536815       -3.5880709011
H             1.3131687573        0.9723232366       -2.8038727442
H             1.3685678715        1.5105790032       -4.2748884964
O            -0.5540455043        3.0833976829        2.1828263880
H            -1.4638134933        2.8167688179        1.9674915295
H            -0.1196810999        2.2563375141        2.4793268686
O            -0.6125514871        3.2235882724       -2.1143055482
H            -0.1313372294        2.6235196928       -2.7030847610
H            -0.0118147592        3.4335220829       -1.3740465815
O             0.8707391789        3.7941597611        0.1300319226
H             0.3028840099        3.5052921400        0.9053677411
H             0.9822048183        4.7394096680        0.2331492956
O            -3.2375437633       -0.4571223887        2.2217962449
H            -2.4873150801       -0.7735079216        2.7712566357
H            -3.2764005883       -1.0513154963        1.4555752201
O            -2.0560485497        1.3883230345       -0.8903642570
H            -1.6424543358        2.1460285452       -1.3692184805
H            -2.4669741391        1.7429461778       -0.0802859419
O            -1.0327490379       -1.2855480914        3.5288073214
H            -0.4660372561       -0.5093613875        3.3678891377
H            -0.5378466454       -2.0304148173        3.1586995790
O             0.6598318850       -3.1390846380        2.2549362966
H             1.4861596294       -2.6677031521        1.9667275267
H             0.9446127030       -3.9799521565        2.6120044895
O            -0.6581101856       -2.6024518150       -0.0242872651
H            -1.6270330154       -2.5796854469        0.0796746923
H            -0.2758651012       -2.8967741498        0.8242304220
O             2.9469074769       -2.0669431799       -1.4320111021
H             2.0982649242       -2.4587246223       -1.7859628530
H             3.6602885358       -2.5934932514       -1.7913318787
O             2.0975838636        0.4886819950       -1.4895886445
H             2.5379226759       -0.3781760465       -1.5363248936
H             1.3211909205        0.3395797635       -0.8872525324
O            -0.7503969778       -1.0085701600       -3.6942204828
H            -1.0533569168       -1.0944415410       -4.5988516008
H            -0.2741399879       -0.1535156326       -3.6367278399
O            -3.3174035334       -2.1835201480        0.0201098670
H            -3.2774541988       -1.6384993949       -0.8157426094
H            -4.0822336497       -2.7524414670       -0.0630195503
O             3.2767496224        0.6304423286        2.1745714383
H             3.9901664146        0.8770984175        2.7616106687
H             3.2760826492        1.2974845216        1.4310781468
O            -3.0297245140        2.0436226880        1.5338216289
H            -3.8650430297        2.4420683934        1.7768454810
H            -3.0804322033        1.0909574945        1.8390700550
O             2.8532930756       -1.9899255352        1.3624207587
H             3.0107034384       -1.0737561516        1.6467967874
H             2.8796123207       -1.9870526552        0.3910857406
O             0.0062102616       -0.0084062996        0.0091144099
H            -0.7773309643        0.4930802683       -0.3215974805
H            -0.2298019655       -0.9606358652       -0.0397883614
O             0.6766974226       -2.9814630874       -2.3398261660
H             0.2138537092       -2.3285324175       -2.8900530969
H             0.1655242316       -3.0061675809       -1.5092950552
O             3.1817498710        2.3255571815        0.1843374454
H             2.4014721774        2.9076846741        0.2493594957
H             2.9487339203        1.7018582932       -0.5284052597
O             0.5753018002        0.6751491365        2.5406390854
H             1.5449547634        0.6498628873        2.5871949764
H             0.3585878418        0.4137696572        1.6184167443
O            -3.0787129442       -0.7413340526       -2.1464636965
H            -2.8481966841        0.1161052309       -1.7359712230
H            -2.2900583128       -0.9820740915       -2.6578952628
    63
 Energy=    -106.839275234770
O             0.7623557905        1.2459150474       -3.5878565394
H             1.3202836056        0.9760907076       -2.8056504435
H             1.3696470722        1.5199554597       -4.2748196569
O            -0.5542080461        3.0845606111        2.1787522658
H            -1.4644319596        2.8182425646        1.9659981681
H            -0.1205747844        2.2567399808        2.4732569810
O            -0.6145476913        3.2213565681       -2.1116453815
H            -0.1320635681        2.6212013914       -2.7004055588
H            -0.0124661279        3.4336317800       -1.3732648348
O             0.8708497117        3.8014010622        0.1261863085
H             0.3042780796        3.5087508929        0.9007974553
H             0.9751517905        4.7476276488        0.2294682598
O            -3.2364220944       -0.4574926393        2.2241394492
H            -2.4861534108       -0.7751608215        2.7729487041
H            -3.2762334782       -1.0507878478        1.4575011036
O            -2.0567970316        1.3853818154       -0.8868973486
H            -1.6413980875        2.1431764594       -1.3647045910
H            -2.4671486199        1.7390903990       -0.0767766813
O            -1.0314108713       -1.2855561555        3.5301123135
H            -0.4656363665       -0.5094859897        3.3658862618
H            -0.5369707433       -2.0313049766        3.1610527763
O             0.6595288994       -3.1385202213        2.2569581910
H             1.4867002341       -2.6691887557        1.9674795449
H             0.9418901068       -3.9803182844        2.6133711700
O            -0.6584798926       -2.6009355619       -0.0233060102
H            -1.6276263275       -2.5784406824        0.0795041621
H            -0.2756886436       -2.8956406073        0.8248298875
O             2.9468995808       -2.0712827554       -1.4314103454
H             2.0964983197       -2.4583343499       -1.7864868658
H             3.6586198473       -2.6003587820       -1.7907432925
O             2.1007040775        0.4859430900       -1.4907692647
H             2.5423085519       -0.3804628122       -1.5370153435
H             1.3233051527        0.3366133679       -0.8894767575
O            -0.7480945811       -1.0035946074       -3.6970288482
H            -1.0477873086       -1.0896415414       -4.6024469892
H            -0.2718646538       -0.1482951275       -3.6358976329
O            -3.3186777499       -2.1851479321        0.0205684970
H            -3.2809680587       -1.6394112372       -0.8146715719
H            -4.0824514842       -2.7555964532       -0.0616284429
O             3.2749220517        0.6311481993        2.1750141126
H             3.9905314037        0.8760111511        2.7604434308
H             3.2768099707        1.2957588689        1.4293123681
O            -3.0324084089        2.0446786558        1.5376098948
H            -3.8671283476        2.4417480348        1.7845085430
H            -3.0820283060        1.0917534047        1.8415307281
O             2.8524864608       -1.9906924441        1.3650395319
H             3.0104840791       -1.0743040469        1.6497437415
H             2.8798159906       -1.9890832096        0.3941787619
O             0.0081835258       -0.0118004605        0.0070431832
H            -0.7754583259        0.4904299647       -0.3224651892
H            -0.2300425804       -0.9636911344       -0.0403846948
O             0.6727424058       -2.9784522367       -2.3396857302
H             0.2111559686       -2.3250467172       -2.8891398302
H             0.1613038009       -3.0009122966       -1.5088405485
O             3.1809554476        2.3222418749        0.1829122294
H             2.4047575444        2.9096340449        0.2461400389
H             2.9452334318        1.6978915803       -0.5278398221
O             0.5732639241        0.6771632476        2.5376182818
H             1.5424702911        0.6493492897        2.5869826738
H             0.3594786749        0.4138023742        1.6151466854
O            -3.0772557699       -0.7441354860       -2.1480023882
H            -2.8442431341        0.1129064276       -1.7379918597
H            -2.2904382400       -0.9863621887       -2.6612737649
    63
 Energy=    -106.839281217620
O             0.7634118752        1.2492457144       -3.5877346841
H             1.3220836764        0.9789099954       -2.8065385664
H             1.3702645664        1.5182715412       -4.2775419054
O            -0.5545239571        3.0851385308        2.1774242023
H            -1.4653529458        2.8200300151        1.9654146525
H            -0.1205707339        2.2570428614        2.4706212866
O            -0.6156777863        3.2207601589       -2.1097822619
H            -0.1323247829        2.6223282748       -2.6989604958
H            -0.0138188740        3.4347963290       -1.3716359661
O             0.8718233026        3.8051288567        0.1258656750
H             0.3041954073        3.5110601535        0.8990704108
H             0.9720339907        4.7518325019        0.2286656636
O            -3.2362237486       -0.4577341740        2.2256706542
H            -2.4857096176       -0.7755236041        2.7740868849
H            -3.2761942405       -1.0506532481        1.4588209854
O            -2.0576193542        1.3832451650       -0.8851893473
H            -1.6412854847        2.1411167481       -1.3617929221
H            -2.4678815330        1.7359947403       -0.0743791930
O            -1.0307867294       -1.2855707627        3.5305106997
H            -0.4657357092       -0.5091142355        3.3648222061
H            -0.5360766912       -2.0314451893        3.1624627376
O             0.6591711145       -3.1383859213        2.2582149810
H             1.4867051134       -2.6698002501        1.9685481814
H             0.9410540253       -3.9807149970        2.6139602284
O            -0.6590862295       -2.6013131217       -0.0233683723
H            -1.6281409634       -2.5781544094        0.0798742826
H            -0.2755356699       -2.8947464741        0.8249641568
O             2.9470917118       -2.0722643905       -1.4312576544
H             2.0960690457       -2.4573586963       -1.7866547959
H             3.6572148029       -2.6041140070       -1.7896092215
O             2.1027482992        0.4844473432       -1.4917313837
H             2.5436467079       -0.3822681536       -1.5375154003
H             1.3253644608        0.3343650099       -0.8909247315
O            -0.7475162282       -1.0007816605       -3.6986666354
H            -1.0435857214       -1.0857542189       -4.6056562733
H            -0.2706387141       -0.1460419832       -3.6354829162
O            -3.3192824400       -2.1856233015        0.0207769701
H            -3.2823911633       -1.6404414583       -0.8147669952
H            -4.0824036544       -2.7571114323       -0.0607819406
O             3.2743858760        0.6307506486        2.1741478660
H             3.9900680472        0.8759549970        2.7593336124
H             3.2774311438        1.2950360951        1.4281062661
O            -3.0338863846        2.0452309627        1.5391551565
H            -3.8681731103        2.4417230793        1.7886160257
H            -3.0822351691        1.0923585579        1.8429844173
O             2.8522458731       -1.9911219146        1.3664881038
H             3.0100323896       -1.0748858840        1.6509702681
H             2.8796473768       -1.9900723972        0.3953349791
O             0.0094909743       -0.0133195765        0.0045680360
H            -0.7749154753        0.4891435304       -0.3230738113
H            -0.2299134188       -0.9650310743       -0.0400938237
O             0.6705050876       -2.9770522662       -2.3383331605
H             0.2106935149       -2.3227491225       -2.8888633941
H             0.1582271515       -2.9986281331       -1.5082082588
O             3.1809018057        2.3209030874        0.1824207690
H             2.4068541756        2.9108885457        0.2441986980
H             2.9443647251        1.6949329684       -0.5269202148
O             0.5722034155        0.6775859856        2.5356749658
H             1.5413636182        0.6496131565        2.5866223372
H             0.3592573067        0.4140029284        1.6131328867
O            -3.0757520585       -0.7456946809       -2.1495790454
H            -2.8414154896        0.1110753758       -1.7398700560
H            -2.2893854039       -0.9886855219       -2.6631063404
    63
 Energy=    -106.839283243770
O             0.7633768646        1.2500092542       -3.5878327093
H             1.3216594680        0.9793828321       -2.8067138726
H             1.3702240508        1.5159750943       -4.2787853846
O            -0.5545887470        3.0853928476        2.1773173251
H            -1.4657152851        2.8205116549        1.9654815685
H            -0.1204614591        2.2570553352        2.4705826325
O            -0.6156562996        3.2206694207       -2.1090315296
H            -0.1321110774        2.6230773745       -2.6985975196
H            -0.0139702914        3.4351604964       -1.3707735990
O             0.8721476183        3.8056973923        0.1265821658
H             0.3040969838        3.5116933584        0.8993923357
H             0.9718345021        4.7524100517        0.2291925825
O            -3.2362511705       -0.4577221427        2.2258669927
H            -2.4857298338       -0.7753606065        2.7743365987
H            -3.2762483105       -1.0506968938        1.4590326724
O            -2.0575040032        1.3826787397       -0.8848531230
H            -1.6414993522        2.1407941341       -1.3613101349
H            -2.4682208473        1.7354764915       -0.0741906780
O            -1.0307990493       -1.2854495888        3.5305519127
H            -0.4658293221       -0.5089485017        3.3646810147
H            -0.5357628910       -2.0313876850        3.1626512289
O             0.6590197456       -3.1385140832        2.2582048876
H             1.4865890298       -2.6697631867        1.9689728299
H             0.9411415928       -3.9807954139        2.6139953924
O            -0.6592769226       -2.6016721049       -0.0232864186
H            -1.6282592496       -2.5783112398        0.0801196135
H            -0.2756190416       -2.8946312615        0.8250270683
O             2.9470901815       -2.0719758807       -1.4313323365
H             2.0960730231       -2.4572522905       -1.7864674296
H             3.6568491849       -2.6045074758       -1.7892679132
O             2.1030816550        0.4843884369       -1.4919771851
H             2.5436864365       -0.3824034282       -1.5378701717
H             1.3256870730        0.3340014718       -0.8912869296
O            -0.7474744131       -1.0006048752       -3.6991077732
H            -1.0427136964       -1.0851308856       -4.6063675071
H            -0.2707860162       -0.1462021095       -3.6358810618
O            -3.3194310078       -2.1854634142        0.0208013825
H            -3.2824094643       -1.6407164456       -0.8150155946
H            -4.0823103811       -2.7572474647       -0.0606371183
O             3.2745625516        0.6304039988        2.1736683946
H             3.9898790382        0.8760734077        2.7592005546
H             3.2772610091        1.2949259502        1.4280337322
O            -3.0341219408        2.0452405035        1.5391892173
H            -3.8682174754        2.4418530838        1.7890572030
H            -3.0820125788        1.0923842637        1.8432332094
O             2.8523161416       -1.9913843355        1.3665677698
H             3.0098539341       -1.0749163751        1.6509116726
H             2.8794995746       -1.9900327872        0.3955030085
O             0.0095915016       -0.0131092552        0.0040171003
H            -0.7749121558        0.4888761280       -0.3233178022
H            -0.2297536163       -0.9650734686       -0.0400959543
O             0.6703540673       -2.9766978784       -2.3379439941
H             0.2108970928       -2.3224541490       -2.8889388409
H             0.1577846264       -2.9985876673       -1.5078626114
O             3.1813423367        2.3210555335        0.1822916213
H             2.4069403174        2.9110413774        0.2439382897
H             2.9442453652        1.6944674249       -0.5268102274
O             0.5720883751        0.6772830056        2.5352839561
H             1.5413169545        0.6498865708        2.5864250878
H             0.3590188644        0.4140705705        1.6126220234
O            -3.0753422879       -0.7460294019       -2.1498808796
H            -2.8410536830        0.1108406297       -1.7403406717
H            -2.2889561868       -0.9889769395       -2.6634465954
    63
 Energy=    -106.839294799610
O             0.7670614540        1.2552530355       -3.5879218006
H             1.3260061385        0.9844472636       -2.8072406607
H             1.3730743441        1.5192151103       -4.2804418079
O            -0.5546620911        3.0871358382        2.1711788060
H            -1.4664855660        2.8230768770        1.9627705821
H            -0.1209671454        2.2590562171        2.4648521520
O            -0.6205897519        3.2180770528       -2.1055552421
H            -0.1324438882        2.6235985426       -2.6951068287
H            -0.0186133525        3.4379523443       -1.3691727996
O             0.8723417487        3.8107742752        0.1233356998
H             0.3038387436        3.5160376315        0.8956566806
H             0.9685036371        4.7580836456        0.2246844915
O            -3.2362390486       -0.4581208313        2.2280811958
H            -2.4857345109       -0.7754003371        2.7767455727
H            -3.2766112237       -1.0517986136        1.4618820290
O            -2.0566894091        1.3783466079       -0.8799657441
H            -1.6439499043        2.1374302448       -1.3578956748
H            -2.4708321021        1.7312847462       -0.0713887150
O            -1.0297830599       -1.2851075688        3.5316347262
H            -0.4661454171       -0.5079546493        3.3641539263
H            -0.5337213550       -2.0305139060        3.1645817602
O             0.6579951938       -3.1400314473        2.2583627925
H             1.4857123862       -2.6697562182        1.9719853270
H             0.9400758433       -3.9817988500        2.6151169355
O            -0.6615950557       -2.6033560605       -0.0214523444
H            -1.6306100124       -2.5802274258        0.0830128692
H            -0.2773162822       -2.8959217460        0.8267289878
O             2.9461747648       -2.0758698837       -1.4302244133
H             2.0933395811       -2.4584898398       -1.7842578635
H             3.6539458373       -2.6122951401       -1.7864542641
O             2.1064788237        0.4805974433       -1.4935893543
H             2.5477944111       -0.3859930404       -1.5401291325
H             1.3286819897        0.3298554801       -0.8935674952
O            -0.7445286301       -0.9939188936       -3.7031330423
H            -1.0351930559       -1.0765347094       -4.6119083265
H            -0.2679090946       -0.1393032471       -3.6354168997
O            -3.3209322530       -2.1849412209        0.0218501919
H            -3.2825272849       -1.6434233859       -0.8159209267
H            -4.0816355564       -2.7596156174       -0.0594469964
O             3.2748499313        0.6285339320        2.1720466671
H             3.9892295570        0.8752720337        2.7583656216
H             3.2752018181        1.2943905485        1.4276129335
O            -3.0360973042        2.0449072478        1.5421854066
H            -3.8689801603        2.4415540073        1.7959751990
H            -3.0823047066        1.0922190313        1.8471228033
O             2.8526232735       -1.9932349130        1.3683753497
H             3.0088079558       -1.0763973132        1.6514802238
H             2.8789881761       -1.9920071157        0.3971427689
O             0.0116974366       -0.0141635776        0.0029005442
H            -0.7740271345        0.4868269732       -0.3246763306
H            -0.2269550451       -0.9658181419       -0.0411140931
O             0.6685391955       -2.9721269598       -2.3372968816
H             0.2105504680       -2.3170556396       -2.8880816762
H             0.1541116941       -2.9960228806       -1.5084374429
O             3.1814509071        2.3206844277        0.1807208136
H             2.4080472852        2.9115868592        0.2395701204
H             2.9444823231        1.6916274897       -0.5257430245
O             0.5708122424        0.6766078697        2.5324702259
H             1.5398638448        0.6513344147        2.5840091957
H             0.3593258315        0.4133838890        1.6092135910
O            -3.0726713668       -0.7489421046       -2.1506532044
H            -2.8396686175        0.1079896950       -1.7405773324
H            -2.2866763488       -0.9902418920       -2.6655263958
    63
 Energy=    -106.839303527440
O             0.7720599195        1.2622691278       -3.5880301182
H             1.3304105924        0.9867058964       -2.8090503377
H             1.3783658015        1.5236415881       -4.2808743398
O            -0.5556281244        3.0893763708        2.1660939163
H            -1.4673935312        2.8246568122        1.9567228312
H            -0.1217458732        2.2605300182        2.4579780164
O            -0.6246979535        3.2152086376       -2.1007994173
H            -0.1323758801        2.6234398583       -2.6889028841
H            -0.0250768705        3.4407614204       -1.3639534801
O             0.8718980805        3.8164724704        0.1188472058
H             0.3047808177        3.5218300962        0.8921678248
H             0.9691680657        4.7635737490        0.2199233578
O            -3.2374681802       -0.4592003994        2.2316930407
H            -2.4858967887       -0.7751679909        2.7795052101
H            -3.2774993222       -1.0525843170        1.4652059388
O            -2.0601921771        1.3736658477       -0.8773552954
H            -1.6464429710        2.1326875416       -1.3547793798
H            -2.4738634481        1.7266859007       -0.0683779807
O            -1.0279910093       -1.2839145855        3.5339444243
H            -0.4664386293       -0.5058371416        3.3644857409
H            -0.5320428451       -2.0289443138        3.1655677741
O             0.6570334746       -3.1415142408        2.2608326338
H             1.4841153977       -2.6706171299        1.9738833853
H             0.9403127033       -3.9837711436        2.6159169272
O            -0.6649100594       -2.6062504015       -0.0183663325
H            -1.6337252863       -2.5824980184        0.0877703982
H            -0.2804399926       -2.9002375958        0.8291845473
O             2.9452419957       -2.0812376709       -1.4260289461
H             2.0907945211       -2.4606298704       -1.7795334620
H             3.6501473844       -2.6212539094       -1.7821425473
O             2.1102554589        0.4782206618       -1.4967826265
H             2.5513758559       -0.3881659712       -1.5444087859
H             1.3321776910        0.3263976971       -0.8975060409
O            -0.7388632175       -0.9871014508       -3.7087353077
H            -1.0270163517       -1.0675743887       -4.6186365697
H            -0.2650897533       -0.1316180574       -3.6384744161
O            -3.3219735502       -2.1851319580        0.0236811355
H            -3.2804506470       -1.6463544425       -0.8156065538
H            -4.0813834161       -2.7611228985       -0.0592733606
O             3.2730255462        0.6280806689        2.1710546422
H             3.9880843468        0.8739807745        2.7568763848
H             3.2731976788        1.2944955933        1.4274226273
O            -3.0364299562        2.0440672635        1.5463211805
H            -3.8684787437        2.4407668821        1.8026161847
H            -3.0829100124        1.0912733409        1.8505305336
O             2.8514886930       -1.9956543677        1.3690962158
H             3.0084577237       -1.0786530704        1.6513336476
H             2.8779602055       -1.9958270180        0.3977863083
O             0.0152199106       -0.0162907015       -0.0006581325
H            -0.7713407666        0.4853900363       -0.3242883574
H            -0.2238893543       -0.9681010688       -0.0423495107
O             0.6655026374       -2.9678393345       -2.3380336863
H             0.2102643304       -2.3089037478       -2.8869488206
H             0.1510630711       -2.9943245470       -1.5094470532
O             3.1792635274        2.3214334913        0.1800066138
H             2.4055026911        2.9124595657        0.2352344330
H             2.9463847010        1.6918122341       -0.5276751000
O             0.5704266511        0.6793251887        2.5285117823
H             1.5396695353        0.6522015608        2.5798253766
H             0.3586992957        0.4118371830        1.6066881548
O            -3.0702864658       -0.7521261870       -2.1516964260
H            -2.8408543803        0.1037727577       -1.7373998400
H            -2.2830416486       -0.9878146959       -2.6670838023
    63
 Energy=    -106.839311973450
O             0.7763905541        1.2670462516       -3.5880269247
H             1.3337592041        0.9883743925       -2.8094743930
H             1.3838852520        1.5248109835       -4.2814465382
O            -0.5553526852        3.0908488775        2.1616150265
H            -1.4669378323        2.8252909952        1.9528205002
H            -0.1209835813        2.2625011436        2.4543213345
O            -0.6303695849        3.2151925926       -2.0972082387
H            -0.1361992276        2.6268787740       -2.6871738376
H            -0.0306402649        3.4414669405       -1.3606410609
O             0.8731818830        3.8187844545        0.1172646591
H             0.3048361895        3.5258275282        0.8905182012
H             0.9753123332        4.7653375247        0.2187158130
O            -3.2389659964       -0.4609251260        2.2356926905
H            -2.4861696228       -0.7769374643        2.7819685990
H            -3.2789362463       -1.0526994664        1.4680928689
O            -2.0613617399        1.3698284875       -0.8743808248
H            -1.6498825436        2.1291156941       -1.3531016005
H            -2.4752227960        1.7232617906       -0.0657967555
O            -1.0269286036       -1.2802193574        3.5342549706
H            -0.4638368524       -0.5030751384        3.3643826727
H            -0.5318707445       -2.0264970960        3.1672032671
O             0.6565168622       -3.1431441535        2.2636168445
H             1.4829891241       -2.6728465976        1.9737573943
H             0.9404983407       -3.9856458971        2.6175670321
O            -0.6646711055       -2.6098089586       -0.0161963471
H            -1.6334131040       -2.5821454345        0.0894956869
H            -0.2809958844       -2.9028940516        0.8320169481
O             2.9445112231       -2.0851523221       -1.4237697623
H             2.0892150473       -2.4617470681       -1.7780816194
H             3.6480799016       -2.6297893301       -1.7756194058
O             2.1138254131        0.4765471582       -1.4991634321
H             2.5541103511       -0.3902979789       -1.5453819994
H             1.3352875171        0.3261881160       -0.9005456342
O            -0.7360472186       -0.9783407750       -3.7106085456
H            -1.0211441511       -1.0618521118       -4.6211420739
H            -0.2596037668       -0.1238479444       -3.6420402298
O            -3.3226062900       -2.1860394092        0.0250782181
H            -3.2782122103       -1.6476608297       -0.8141624805
H            -4.0828233180       -2.7606422967       -0.0604548685
O             3.2719235128        0.6282449589        2.1688916252
H             3.9862821642        0.8736954256        2.7557765386
H             3.2723916043        1.2951285137        1.4257304627
O            -3.0367550153        2.0416294132        1.5478495271
H            -3.8669681280        2.4408027571        1.8063514864
H            -3.0841423527        1.0894105424        1.8540032968
O             2.8502476500       -1.9976115033        1.3699775747
H             3.0070495286       -1.0801017784        1.6504821389
H             2.8763727780       -1.9994931617        0.3985684542
O             0.0159687960       -0.0212164623       -0.0036639013
H            -0.7711901937        0.4802749249       -0.3259212953
H            -0.2247943912       -0.9727550302       -0.0431591829
O             0.6620335520       -2.9637078907       -2.3378023638
H             0.2085195901       -2.3031016794       -2.8861826739
H             0.1460217443       -2.9917988610       -1.5102103528
O             3.1767833553        2.3233813255        0.1778892070
H             2.4012690820        2.9122008980        0.2342502650
H             2.9466195240        1.6957763103       -0.5321381619
O             0.5691234894        0.6808615113        2.5254381274
H             1.5381930382        0.6538355111        2.5780349038
H             0.3583570350        0.4125671492        1.6035339286
O            -3.0663233932       -0.7563515789       -2.1519138089
H            -2.8408167714        0.1001614221       -1.7366025094
H            -2.2788789223       -0.9861680130       -2.6696399616
    63
 Energy=    -106.839313353940
O             0.7781648594        1.2682697957       -3.5887136530
H             1.3352281470        0.9891679742       -2.8102881590
H             1.3857444046        1.5293317134       -4.2807247091
O            -0.5556139340        3.0912756761        2.1610937381
H            -1.4666309739        2.8249495189        1.9517561427
H            -0.1203045479        2.2630441987        2.4531706513
O            -0.6312342800        3.2146901942       -2.0970518163
H            -0.1366698852        2.6265078484       -2.6869515999
H            -0.0316239559        3.4411761534       -1.3605909427
O             0.8729321424        3.8193118777        0.1165751113
H             0.3046410879        3.5265362148        0.8899922512
H             0.9779884329        4.7654657808        0.2191146469
O            -3.2395898101       -0.4617241618        2.2365212165
H            -2.4862513629       -0.7769071963        2.7826674385
H            -3.2796941426       -1.0532567321        1.4690112796
O            -2.0619198468        1.3689134728       -0.8740731657
H            -1.6503934991        2.1284656367       -1.3526726402
H            -2.4749085781        1.7219874887       -0.0650779446
O            -1.0262614218       -1.2793830047        3.5349905953
H            -0.4634730969       -0.5021222521        3.3635039125
H            -0.5317345224       -2.0259711479        3.1676769225
O             0.6562465190       -3.1438395636        2.2637350758
H             1.4828994280       -2.6735231074        1.9746493316
H             0.9403478204       -3.9859993289        2.6185109390
O            -0.6646737684       -2.6106893646       -0.0157981492
H            -1.6331449927       -2.5830439187        0.0899080770
H            -0.2807437712       -2.9032696034        0.8326968279
O             2.9440835078       -2.0857317314       -1.4237083662
H             2.0888719250       -2.4619206783       -1.7784161908
H             3.6472577150       -2.6322714411       -1.7735425890
O             2.1141813973        0.4760552650       -1.4989723350
H             2.5547000180       -0.3907030917       -1.5448032603
H             1.3356963293        0.3250798318       -0.9005633951
O            -0.7356438196       -0.9766686548       -3.7104509305
H            -1.0205411670       -1.0616387824       -4.6208106790
H            -0.2584882619       -0.1224221903       -3.6434446647
O            -3.3227977450       -2.1861373951        0.0255392461
H            -3.2776546995       -1.6480606795       -0.8138452363
H            -4.0831234828       -2.7603546068       -0.0602894706
O             3.2715847460        0.6284929950        2.1677222300
H             3.9856432580        0.8742204748        2.7548615288
H             3.2722116198        1.2954200598        1.4245083735
O            -3.0365928588        2.0409036848        1.5485853484
H            -3.8665203506        2.4408456403        1.8069008563
H            -3.0843133264        1.0885614525        1.8544509300
O             2.8500435251       -1.9982816680        1.3704461042
H             3.0059430005       -1.0803821546        1.6500347401
H             2.8757082120       -2.0001737120        0.3990009681
O             0.0158315609       -0.0221117047       -0.0040498674
H            -0.7717014969        0.4783475308       -0.3270093690
H            -0.2239477181       -0.9738984081       -0.0433394601
O             0.6606241741       -2.9626165053       -2.3381610808
H             0.2075501584       -2.3012656592       -2.8859714129
H             0.1449212837       -2.9909640907       -1.5102458463
O             3.1761073519        2.3241755574        0.1777763495
H             2.4000262511        2.9121855188        0.2343783836
H             2.9463116044        1.6969978072       -0.5324922515
O             0.5687181776        0.6816146953        2.5239585188
H             1.5380949581        0.6542397563        2.5778375218
H             0.3583978113        0.4125896314        1.6023691172
O            -3.0656757108       -0.7566785585       -2.1518682395
H            -2.8402413766        0.0999685734       -1.7366279077
H            -2.2780819238       -0.9860233255       -2.6698795627
    63
 Energy=    -106.839313823170
O             0.7787323201        1.2687990912       -3.5889114792
H             1.3357814133        0.9895064336       -2.8104528375
H             1.3863781802        1.5306648687       -4.2805398854
O            -0.5555467142        3.0914105950        2.1608966360
H            -1.4666464099        2.8248617394        1.9514482834
H            -0.1201332065        2.2633186653        2.4527684842
O            -0.6317675365        3.2145428072       -2.0970695005
H            -0.1368878860        2.6264756767       -2.6868773894
H            -0.0320703128        3.4412562845       -1.3606956093
O             0.8728026225        3.8194158014        0.1162585388
H             0.3045005790        3.5267184196        0.8897324358
H             0.9788607275        4.7654195277        0.2191800692
O            -3.2397767366       -0.4618967350        2.2368981633
H            -2.4863264153       -0.7768631675        2.7829151554
H            -3.2799591567       -1.0535652255        1.4692205956
O            -2.0620460880        1.3686859776       -0.8740683932
H            -1.6506116576        2.1282205724       -1.3524925794
H            -2.4748172522        1.7215596686       -0.0647995179
O            -1.0259191765       -1.2790996270        3.5351763711
H            -0.4634906761       -0.5019282313        3.3632167601
H            -0.5316915048       -2.0257374365        3.1678703967
O             0.6561618760       -3.1440559731        2.2638571240
H             1.4829221697       -2.6737405492        1.9749529722
H             0.9402492202       -3.9860817965        2.6187912611
O            -0.6646010747       -2.6109700757       -0.0155651080
H            -1.6332852565       -2.5834693897        0.0901362515
H            -0.2807388543       -2.9034750884        0.8328286594
O             2.9439477691       -2.0860374490       -1.4236081796
H             2.0886708437       -2.4619212594       -1.7785930070
H             3.6469218902       -2.6331394771       -1.7728138889
O             2.1143063015        0.4758100168       -1.4988696162
H             2.5549210577       -0.3908635747       -1.5445299393
H             1.3357913444        0.3246622633       -0.9005463313
O            -0.7352952678       -0.9760583614       -3.7104430841
H            -1.0203108943       -1.0613721389       -4.6207324020
H            -0.2581076071       -0.1218432406       -3.6436954701
O            -3.3227432378       -2.1861092387        0.0256629292
H            -3.2774393687       -1.6481763971       -0.8137877667
H            -4.0832239694       -2.7602878517       -0.0602107084
O             3.2714379443        0.6285985355        2.1673382901
H             3.9854100739        0.8743678892        2.7545537955
H             3.2721554080        1.2954830172        1.4240768858
O            -3.0365405861        2.0406470392        1.5488928353
H            -3.8663939088        2.4408288329        1.8071075006
H            -3.0843719351        1.0882806237        1.8546780966
O             2.8499056363       -1.9984974926        1.3705315751
H             3.0056300004       -1.0805046580        1.6498938621
H             2.8754940372       -2.0003709225        0.3991314280
O             0.0158418629       -0.0224104997       -0.0041660477
H            -0.7718479290        0.4777509989       -0.3272942550
H            -0.2236088866       -0.9742173251       -0.0433949958
O             0.6601948416       -2.9622114222       -2.3382944705
H             0.2072140484       -2.3006390691       -2.8858560326
H             0.1446664316       -2.9906672268       -1.5103722636
O             3.1759761372        2.3244018681        0.1778133171
H             2.3996829124        2.9121826138        0.2342787071
H             2.9462989905        1.6972690844       -0.5326105740
O             0.5688491108        0.6818956542        2.5236098154
H             1.5379082762        0.6543732570        2.5776340230
H             0.3583937658        0.4125501184        1.6019069821
O            -3.0653499399       -0.7567782640       -2.1519180628
H            -2.8400379374        0.0998226227       -1.7366448449
H            -2.2779093093       -0.9860337988       -2.6698944805
    63
 Energy=    -106.839315828090
O             0.7799582060        1.2703607660       -3.5896907114
H             1.3366906701        0.9905193191       -2.8109650860
H             1.3881705056        1.5301202222       -4.2817807484
O            -0.5556409677        3.0920567081        2.1609573425
H            -1.4667886279        2.8251960697        1.9518009357
H            -0.1199529204        2.2640868588        2.4527148723
O            -0.6329773842        3.2143712481       -2.0960310969
H            -0.1372703378        2.6283395367       -2.6869722676
H            -0.0327116013        3.4419748544       -1.3603726731
O             0.8731338419        3.8197103428        0.1175087546
H             0.3038553405        3.5278583525        0.8907067470
H             0.9824628772        4.7651310342        0.2218625314
O            -3.2405646528       -0.4623584150        2.2378161534
H            -2.4867491076       -0.7765972091        2.7838687165
H            -3.2806569988       -1.0544686443        1.4704432486
O            -2.0623850699        1.3677777978       -0.8741426691
H            -1.6510658493        2.1278215029       -1.3516342137
H            -2.4747090359        1.7196005200       -0.0640924307
O            -1.0252649507       -1.2779657632        3.5353971782
H            -0.4634586875       -0.5010079338        3.3616342504
H            -0.5311290875       -2.0248859062        3.1687652497
O             0.6561457358       -3.1442566984        2.2653509618
H             1.4831096414       -2.6745521031        1.9758417563
H             0.9396370722       -3.9866104620        2.6198490976
O            -0.6650523037       -2.6114867331       -0.0145947470
H            -1.6337871847       -2.5851891040        0.0913926272
H            -0.2807210736       -2.9046174200        0.8334183521
O             2.9432016241       -2.0870551634       -1.4229353799
H             2.0877713652       -2.4613208443       -1.7794879797
H             3.6457834611       -2.6358619309       -1.7699586357
O             2.1140277832        0.4759548745       -1.4986617470
H             2.5554130393       -0.3902089781       -1.5445884111
H             1.3351644964        0.3237543411       -0.9008878302
O            -0.7335995132       -0.9750415916       -3.7110734600
H            -1.0195191919       -1.0609786416       -4.6211369710
H            -0.2575154043       -0.1202406608       -3.6442434654
O            -3.3221092042       -2.1858986180        0.0255869876
H            -3.2764780735       -1.6482876217       -0.8141009993
H            -4.0832907943       -2.7594164421       -0.0597699604
O             3.2707002202        0.6289078864        2.1656859166
H             3.9842702719        0.8751683634        2.7531651442
H             3.2717219506        1.2954734961        1.4221070758
O            -3.0360611636        2.0395928877        1.5492794204
H            -3.8655768986        2.4405485901        1.8072816761
H            -3.0847119197        1.0874804272        1.8557794417
O             2.8487487567       -1.9986804763        1.3704176623
H             3.0048358401       -1.0807446024        1.6497766678
H             2.8745263407       -2.0008995088        0.3990222171
O             0.0160157670       -0.0234974688       -0.0055410825
H            -0.7723637933        0.4758729346       -0.3282008993
H            -0.2226580452       -0.9755702983       -0.0436747858
O             0.6594981108       -2.9608767340       -2.3387047878
H             0.2060910564       -2.2987850825       -2.8853012058
H             0.1443289003       -2.9898590433       -1.5107303839
O             3.1757022090        2.3252807549        0.1773049940
H             2.3990011525        2.9126513437        0.2341870193
H             2.9460040939        1.6980196522       -0.5331533597
O             0.5688876826        0.6824104047        2.5219372834
H             1.5378372764        0.6549133225        2.5753643716
H             0.3584581946        0.4129917053        1.6002113685
O            -3.0640357725       -0.7578302879       -2.1525610656
H            -2.8391667570        0.0988256673       -1.7374747982
H            -2.2766700109       -0.9869637958       -2.6704626895
    63
 Energy=    -106.839316785870
O             0.7807899305        1.2714928290       -3.5898940311
H             1.3369095483        0.9910456693       -2.8112090104
H             1.3893709013        1.5311520524       -4.2817699241
O            -0.5557911153        3.0923400617        2.1613619519
H            -1.4668693133        2.8253338373        1.9522303027
H            -0.1198707789        2.2643267290        2.4528064425
O            -0.6328038813        3.2143436409       -2.0959283081
H            -0.1374787042        2.6286474692       -2.6876110441
H            -0.0324508064        3.4419582195       -1.3604179184
O             0.8733763411        3.8198406173        0.1183463956
H             0.3035700422        3.5283107732        0.8912451115
H             0.9843265850        4.7649650860        0.2236461945
O            -3.2410053720       -0.4627295223        2.2384408329
H            -2.4869911919       -0.7766395571        2.7842393770
H            -3.2807089707       -1.0550132595        1.4711259582
O            -2.0622962614        1.3672640324       -0.8740153971
H            -1.6510407717        2.1276061375       -1.3512569193
H            -2.4746058641        1.7187007620       -0.0638305130
O            -1.0252556014       -1.2773542176        3.5351236293
H            -0.4632801253       -0.5003968258        3.3606733771
H            -0.5307632754       -2.0245361854        3.1693477417
O             0.6561203097       -3.1443134234        2.2663325919
H             1.4831127324       -2.6749667197        1.9762882188
H             0.9391287074       -3.9869328480        2.6207006738
O            -0.6649738640       -2.6120612972       -0.0142363436
H            -1.6337190795       -2.5858064787        0.0919108488
H            -0.2805574258       -2.9050222627        0.8336830226
O             2.9427627882       -2.0874005137       -1.4227429870
H             2.0874069271       -2.4610733134       -1.7799821584
H             3.6451523509       -2.6373515551       -1.7685704792
O             2.1138586165        0.4762332970       -1.4985485463
H             2.5555539378       -0.3897087721       -1.5446745102
H             1.3347111009        0.3236312996       -0.9011933534
O            -0.7333167761       -0.9747383924       -3.7111226679
H            -1.0193923300       -1.0612231736       -4.6210263402
H            -0.2573483461       -0.1198540128       -3.6448551028
O            -3.3218160689       -2.1858692447        0.0255721242
H            -3.2761764149       -1.6482820960       -0.8141179374
H            -4.0833613649       -2.7587935218       -0.0594641217
O             3.2704192754        0.6289626440        2.1647111809
H             3.9837214504        0.8757551425        2.7522917862
H             3.2712397388        1.2955537850        1.4210940474
O            -3.0356768668        2.0389740483        1.5492492490
H            -3.8650688750        2.4402882640        1.8070977009
H            -3.0848579818        1.0870277320        1.8561563726
O             2.8481881296       -1.9985682403        1.3704281021
H             3.0043871442       -1.0806621763        1.6498223077
H             2.8738704831       -2.0011224828        0.3989524611
O             0.0159094587       -0.0242180664       -0.0062453130
H            -0.7725565703        0.4751071000       -0.3287577893
H            -0.2226319213       -0.9763866697       -0.0437816928
O             0.6590206716       -2.9603203699       -2.3389327248
H             0.2056688809       -2.2978890526       -2.8852834225
H             0.1442764207       -2.9897166871       -1.5106350161
O             3.1755325906        2.3258577350        0.1766989734
H             2.3986828127        2.9130634621        0.2343718503
H             2.9454147478        1.6982231922       -0.5332380689
O             0.5688720902        0.6825236682        2.5209605625
H             1.5380382706        0.6552031161        2.5740528590
H             0.3584002734        0.4134180263        1.5992610594
O            -3.0636687735       -0.7583547360       -2.1528677512
H            -2.8388555335        0.0984970509       -1.7379331256
H            -2.2760919306       -0.9875842025       -2.6705713140
    63
 Energy=    -106.839317557660
O             0.7821491640        1.2728844302       -3.5902490913
H             1.3378339727        0.9924186154       -2.8113407629
H             1.3913513781        1.5351613924       -4.2805519582
O            -0.5562286386        3.0928494392        2.1623155858
H            -1.4672299150        2.8257045960        1.9530258073
H            -0.1200446877        2.2645357259        2.4525364064
O            -0.6324684746        3.2142221052       -2.0964149055
H            -0.1370085520        2.6279134967       -2.6875076059
H            -0.0323038340        3.4424076289       -1.3609911496
O             0.8732276241        3.8202959004        0.1185981033
H             0.3032259805        3.5285146077        0.8911846556
H             0.9864016310        4.7649703764        0.2257174370
O            -3.2418177638       -0.4637247938        2.2395815575
H            -2.4873048468       -0.7769972640        2.7851409878
H            -3.2803693750       -1.0556793628        1.4719967844
O            -2.0618583091        1.3665561108       -0.8737092811
H            -1.6507077782        2.1269403303       -1.3508881781
H            -2.4745674254        1.7177885438       -0.0636161719
O            -1.0253639936       -1.2763726289        3.5340078157
H            -0.4632105271       -0.4995337092        3.3595975456
H            -0.5301023688       -2.0240699211        3.1702945702
O             0.6556927746       -3.1445019746        2.2678243235
H             1.4826619103       -2.6754688257        1.9772970077
H             0.9384051079       -3.9872178755        2.6222157642
O            -0.6647257354       -2.6141528337       -0.0137144763
H            -1.6333730817       -2.5864389003        0.0927321500
H            -0.2804131872       -2.9060112454        0.8346740725
O             2.9421519592       -2.0879075480       -1.4224352806
H             2.0865539610       -2.4608216199       -1.7798722985
H             3.6437314508       -2.6399914067       -1.7665574995
O             2.1139195431        0.4765170698       -1.4989813640
H             2.5558599347       -0.3892906374       -1.5448296541
H             1.3344188096        0.3238543710       -0.9022126305
O            -0.7330519075       -0.9735879919       -3.7113108179
H            -1.0187916737       -1.0606722988       -4.6212561958
H            -0.2568024028       -0.1188669406       -3.6455613724
O            -3.3215767810       -2.1856493406        0.0259896289
H            -3.2757334512       -1.6484540979       -0.8139020443
H            -4.0835130865       -2.7580508189       -0.0588934659
O             3.2702370141        0.6289617934        2.1631751019
H             3.9830460820        0.8764353929        2.7510375944
H             3.2702615904        1.2960010078        1.4199104144
O            -3.0351293896        2.0379627102        1.5495162701
H            -3.8644824731        2.4396947337        1.8068619670
H            -3.0846638700        1.0860657094        1.8566393284
O             2.8474254754       -1.9986588445        1.3704473390
H             3.0039612423       -1.0807230314        1.6495127087
H             2.8725260242       -2.0010555178        0.3989508896
O             0.0157692265       -0.0254650568       -0.0066798543
H            -0.7722726975        0.4746031001       -0.3291985823
H            -0.2236185148       -0.9774376782       -0.0440342255
O             0.6585933909       -2.9596882743       -2.3393598032
H             0.2055513951       -2.2965295500       -2.8851229796
H             0.1442833008       -2.9897137768       -1.5108001416
O             3.1752674550        2.3261676142        0.1757733084
H             2.3985905598        2.9135717364        0.2334937183
H             2.9445221316        1.6979266884       -0.5334030407
O             0.5692956538        0.6830693296        2.5192747682
H             1.5385041551        0.6555173954        2.5715806970
H             0.3578775231        0.4137801680        1.5978721065
O            -3.0635376510       -0.7590564512       -2.1533503853
H            -2.8389895081        0.0977224589       -1.7382739289
H            -2.2755244204       -0.9884667603       -2.6702477904
    63
 Energy=    -106.839318824880
O             0.7832818005        1.2744117645       -3.5906251690
H             1.3383591773        0.9934055706       -2.8113710251
H             1.3928833092        1.5399036569       -4.2792453699
O            -0.5564292862        3.0931863154        2.1629081724
H            -1.4677270608        2.8262910267        1.9546089138
H            -0.1202834653        2.2647974066        2.4529522725
O            -0.6321433772        3.2135578723       -2.0965732081
H            -0.1361911361        2.6275020103       -2.6874700693
H            -0.0318992675        3.4433423489       -1.3618215917
O             0.8730106479        3.8205194773        0.1192347523
H             0.3029996679        3.5284204532        0.8917258324
H             0.9872902053        4.7648833925        0.2278331797
O            -3.2424795626       -0.4644128852        2.2403410230
H            -2.4880371043       -0.7773912110        2.7861954902
H            -3.2805876188       -1.0558523527        1.4723098521
O            -2.0615920900        1.3662046315       -0.8742514786
H            -1.6499725237        2.1265836164       -1.3510176267
H            -2.4737014177        1.7173492240       -0.0637642171
O            -1.0244284669       -1.2752343776        3.5343653997
H            -0.4628602149       -0.4985045988        3.3579908886
H            -0.5298537789       -2.0232416572        3.1703794508
O             0.6550584892       -3.1448946973        2.2692698706
H             1.4818363386       -2.6754984696        1.9788046292
H             0.9382265101       -3.9871589592        2.6243004515
O            -0.6642570373       -2.6157626496       -0.0128196150
H            -1.6329092212       -2.5876442394        0.0933036801
H            -0.2803884736       -2.9072924206        0.8358861482
O             2.9417390613       -2.0875773733       -1.4224422211
H             2.0856865506       -2.4603848059       -1.7789426843
H             3.6424219441       -2.6422947431       -1.7640266574
O             2.1140445653        0.4763716509       -1.4991925629
H             2.5559219564       -0.3894271187       -1.5454793225
H             1.3343945568        0.3231341945       -0.9027145644
O            -0.7325663275       -0.9716693469       -3.7114600627
H            -1.0176491749       -1.0589867154       -4.6216154205
H            -0.2558793528       -0.1172976334       -3.6459462486
O            -3.3212165069       -2.1853949138        0.0266208349
H            -3.2753054999       -1.6486792788       -0.8135942588
H            -4.0836299857       -2.7573330510       -0.0576710103
O             3.2702774120        0.6293970834        2.1617408850
H             3.9826821891        0.8770450660        2.7500293444
H             3.2705550348        1.2965251944        1.4185264895
O            -3.0346471575        2.0364521299        1.5496315857
H            -3.8641606403        2.4382873862        1.8062375546
H            -3.0845199210        1.0846281234        1.8571182607
O             2.8461965273       -1.9989270787        1.3702937401
H             3.0035498753       -1.0811212625        1.6492318797
H             2.8706432967       -2.0010726385        0.3987624371
O             0.0155038127       -0.0268410460       -0.0079551568
H            -0.7725176526        0.4738457731       -0.3295173961
H            -0.2246104024       -0.9786024064       -0.0444402886
O             0.6583834358       -2.9595648509       -2.3395386443
H             0.2057426132       -2.2958218362       -2.8848114246
H             0.1435614073       -2.9904470076       -1.5114248076
O             3.1748993091        2.3261717950        0.1745149869
H             2.3984583169        2.9139144122        0.2317291990
H             2.9440368706        1.6977101407       -0.5345488030
O             0.5693750574        0.6838026156        2.5175031957
H             1.5386366643        0.6557483324        2.5690835010
H             0.3573532712        0.4134736727        1.5964814327
O            -3.0632800846       -0.7600910148       -2.1530319084
H            -2.8393939533        0.0972524828       -1.7387621462
H            -2.2753810128       -0.9889385782       -2.6703308917
    63
 Energy=    -106.839318848120
O             0.7833630655        1.2750654858       -3.5906978424
H             1.3381894884        0.9934212874       -2.8115302225
H             1.3931790645        1.5408942067       -4.2790307679
O            -0.5566692678        3.0933289647        2.1637874791
H            -1.4679206760        2.8264563600        1.9554169905
H            -0.1204230398        2.2649020710        2.4533845182
O            -0.6315367074        3.2137130974       -2.0963725799
H            -0.1357094328        2.6277286219       -2.6875380370
H            -0.0312057704        3.4434256250       -1.3616188345
O             0.8731128590        3.8207118184        0.1201646658
H             0.3030948004        3.5282959642        0.8924489667
H             0.9870746414        4.7650865979        0.2290604022
O            -3.2428016607       -0.4646516337        2.2406729901
H            -2.4882098858       -0.7776525622        2.7864252453
H            -3.2806075412       -1.0558027098        1.4723409680
O            -2.0615940565        1.3662275590       -0.8747218966
H            -1.6494202066        2.1264984871       -1.3512728548
H            -2.4731664726        1.7173277299       -0.0639457820
O            -1.0241090580       -1.2746297674        3.5346106712
H            -0.4624828914       -0.4980642044        3.3573794391
H            -0.5299488184       -2.0227765124        3.1703370634
O             0.6548525149       -3.1450133060        2.2699810445
H             1.4814106782       -2.6753627743        1.9792975095
H             0.9383665494       -3.9870364166        2.6253890092
O            -0.6641861797       -2.6162141053       -0.0125312287
H            -1.6328453571       -2.5881784709        0.0934731160
H            -0.2803722599       -2.9076948024        0.8362438650
O             2.9415759572       -2.0873646191       -1.4221891629
H             2.0854956107       -2.4600447128       -1.7786999251
H             3.6422005601       -2.6426804158       -1.7630130920
O             2.1136260381        0.4761642914       -1.4995319413
H             2.5559396467       -0.3893330607       -1.5461028923
H             1.3343683043        0.3227226088       -0.9029057938
O            -0.7322253851       -0.9711832210       -3.7116320402
H            -1.0171305763       -1.0583354840       -4.6218565692
H            -0.2556383283       -0.1167671734       -3.6459875334
O            -3.3209506164       -2.1854263184        0.0269319421
H            -3.2751028687       -1.6488343572       -0.8132763442
H            -4.0836359418       -2.7569771467       -0.0569339921
O             3.2704797822        0.6295634343        2.1612601810
H             3.9826788078        0.8773220454        2.7497963362
H             3.2709977731        1.2966062575        1.4178944029
O            -3.0344129349        2.0359996622        1.5495512519
H            -3.8642444203        2.4375247455        1.8056619531
H            -3.0844045818        1.0841037327        1.8570867086
O             2.8454979616       -1.9989304635        1.3701872879
H             3.0033690698       -1.0811971668        1.6492198120
H             2.8697878987       -2.0010023996        0.3985965525
O             0.0151474616       -0.0272539609       -0.0083595236
H            -0.7728790614        0.4733337730       -0.3300860159
H            -0.2247538233       -0.9790991823       -0.0448535171
O             0.6582174185       -2.9598068393       -2.3394347640
H             0.2058568987       -2.2959154599       -2.8848308880
H             0.1431342643       -2.9910536669       -1.5114197808
O             3.1749878609        2.3263882283        0.1734875828
H             2.3983529667        2.9139333142        0.2311928654
H             2.9438444885        1.6977532617       -0.5352786437
O             0.5692885865        0.6835087255        2.5166774474
H             1.5385390226        0.6559882155        2.5682465403
H             0.3571832369        0.4134126644        1.5956509158
O            -3.0632414091       -0.7604294478       -2.1530541934
H            -2.8394645778        0.0971183269       -1.7390133435
H            -2.2754083683       -0.9890572020       -2.6706262388
    63
 Energy=    -106.839319085020
O             0.7833557766        1.2757053747       -3.5905791752
H             1.3380202872        0.9934702523       -2.8115765058
H             1.3933075938        1.5412840762       -4.2789047692
O            -0.5568591352        3.0935339335        2.1645285600
H            -1.4680858378        2.8265082023        1.9560242459
H            -0.1204793900        2.2648909463        2.4537680289
O            -0.6310864700        3.2140757511       -2.0962287805
H            -0.1355585271        2.6281210765       -2.6877016148
H            -0.0307841254        3.4434004941       -1.3615206701
O             0.8731606968        3.8207767911        0.1207668422
H             0.3031673797        3.5280779544        0.8929950691
H             0.9866782191        4.7651923621        0.2298585940
O            -3.2429182701       -0.4649652657        2.2409210773
H            -2.4883852197       -0.7778116261        2.7864718572
H            -3.2806065536       -1.0557002078        1.4724143477
O            -2.0615796441        1.3663599833       -0.8751103742
H            -1.6490394066        2.1264582296       -1.3515388714
H            -2.4727075875        1.7173893296       -0.0641266950
O            -1.0239737285       -1.2741687771        3.5347845859
H            -0.4621686484       -0.4977385363        3.3570226018
H            -0.5300828352       -2.0224470496        3.1702941649
O             0.6547222749       -3.1450882630        2.2704946592
H             1.4810643829       -2.6752456569        1.9796099156
H             0.9385408170       -3.9868484675        2.6262474079
O            -0.6641924083       -2.6165201569       -0.0123415341
H            -1.6328298778       -2.5886425443        0.0935797865
H            -0.2803789127       -2.9079608284        0.8363879130
O             2.9414405338       -2.0873068303       -1.4219187460
H             2.0854112666       -2.4598399013       -1.7786096563
H             3.6421155338       -2.6428341041       -1.7622760845
O             2.1134408672        0.4760511880       -1.4999456578
H             2.5560105011       -0.3894101628       -1.5465536826
H             1.3341158182        0.3222452116       -0.9027895141
O            -0.7318258704       -0.9708231831       -3.7117490257
H            -1.0167007663       -1.0576223865       -4.6219978243
H            -0.2554541567       -0.1162499550       -3.6457851762
O            -3.3206749622       -2.1855181589        0.0272879717
H            -3.2749399823       -1.6489033004       -0.8130777730
H            -4.0836637093       -2.7567526211       -0.0563154818
O             3.2707505098        0.6298105374        2.1608722466
H             3.9826825595        0.8774934441        2.7496723556
H             3.2714729054        1.2965127876        1.4175335464
O            -3.0342955619        2.0356194111        1.5495658830
H            -3.8643882226        2.4368988195        1.8051262023
H            -3.0842637126        1.0838531536        1.8569698945
O             2.8449655741       -1.9987812805        1.3700525687
H             3.0032120315       -1.0813358267        1.6491933449
H             2.8691461900       -2.0009322338        0.3985655234
O             0.0148008728       -0.0275170915       -0.0085508121
H            -0.7732216065        0.4728818318       -0.3306314418
H            -0.2247434473       -0.9794100188       -0.0452007443
O             0.6580202479       -2.9600228270       -2.3393068431
H             0.2059489279       -2.2961306857       -2.8848148249
H             0.1428710302       -2.9915279806       -1.5114607415
O             3.1751085656        2.3265943820        0.1725997739
H             2.3983807118        2.9137782297        0.2307738332
H             2.9438351225        1.6977550358       -0.5358971821
O             0.5691749255        0.6832305818        2.5161654003
H             1.5384918847        0.6561650916        2.5677310419
H             0.3570966789        0.4133312208        1.5949376493
O            -3.0631176645       -0.7605222597       -2.1531185060
H            -2.8394838197        0.0969555519       -1.7392229089
H            -2.2755095218       -0.9890854457       -2.6708557936
    63
 Energy=    -106.839319158630
O             0.7832850268        1.2754665436       -3.5906108796
H             1.3380944110        0.9934482493       -2.8115617445
H             1.3931899516        1.5408505011       -4.2790526749
O            -0.5568203993        3.0934464061        2.1643638690
H            -1.4680057300        2.8264725731        1.9557908450
H            -0.1204692341        2.2649020483        2.4536352647
O            -0.6312735684        3.2140727806       -2.0962506197
H            -0.1356006622        2.6281121622       -2.6875622934
H            -0.0309631742        3.4433981110       -1.3614416219
O             0.8731284542        3.8207518936        0.1205832176
H             0.3031375701        3.5281440355        0.8928236304
H             0.9867409797        4.7651672322        0.2295572513
O            -3.2428965460       -0.4648499152        2.2408553362
H            -2.4882534238       -0.7777577431        2.7864530946
H            -3.2805877123       -1.0557635651        1.4723804096
O            -2.0615848230        1.3663234294       -0.8749908641
H            -1.6491948706        2.1264944880       -1.3514742734
H            -2.4728858127        1.7174040512       -0.0640674315
O            -1.0240734452       -1.2743126628        3.5346422949
H            -0.4622965409       -0.4978755096        3.3572484006
H            -0.5300714581       -2.0225530802        3.1703519011
O             0.6547694649       -3.1450515767        2.2703076860
H             1.4811785440       -2.6752944069        1.9794607513
H             0.9385299256       -3.9868765559        2.6259486056
O            -0.6642425857       -2.6164267500       -0.0124559921
H            -1.6328818881       -2.5884998727        0.0935677490
H            -0.2803919546       -2.9078648183        0.8363053809
O             2.9414722183       -2.0873817002       -1.4219295364
H             2.0854583007       -2.4599330450       -1.7787015278
H             3.6421821940       -2.6426945984       -1.7625481509
O             2.1134300233        0.4760520720       -1.4998267341
H             2.5559967658       -0.3893648719       -1.5464073492
H             1.3342123595        0.3223959005       -0.9028586695
O            -0.7318651834       -0.9709854487       -3.7117469037
H            -1.0168169981       -1.0578070278       -4.6219773851
H            -0.2555447360       -0.1164151051       -3.6457756659
O            -3.3207602114       -2.1854918313        0.0271521366
H            -3.2749643295       -1.6489033146       -0.8131109311
H            -4.0836461369       -2.7568416172       -0.0565108863
O             3.2706808091        0.6297002404        2.1610210757
H             3.9826924760        0.8774300256        2.7497526491
H             3.2713575742        1.2965389247        1.4176481598
O            -3.0343450622        2.0358051378        1.5495641987
H            -3.8643874272        2.4371315388        1.8052745751
H            -3.0842659944        1.0839675782        1.8569900730
O             2.8451320215       -1.9988490556        1.3701163073
H             3.0032682240       -1.0812512605        1.6491892784
H             2.8693824221       -2.0009289737        0.3985615754
O             0.0149001035       -0.0273872740       -0.0084281968
H            -0.7731289824        0.4730002097       -0.3305199527
H            -0.2246854178       -0.9792839427       -0.0451016709
O             0.6581201054       -2.9599720618       -2.3393426273
H             0.2058810846       -2.2960949361       -2.8847914992
H             0.1429630918       -2.9913362235       -1.5114286312
O             3.1751384742        2.3265135751        0.1728958365
H             2.3983781998        2.9137825499        0.2309173051
H             2.9439035299        1.6977661139       -0.5357279440
O             0.5692355044        0.6832919459        2.5163408914
H             1.5384797932        0.6561083761        2.5679439428
H             0.3571559188        0.4133730292        1.5951746678
O            -3.0631838187       -0.7604689812       -2.1531620588
H            -2.8394363206        0.0970215819       -1.7391239966
H            -2.2754399725       -0.9890579748       -2.6708201688
    63
 Energy=    -106.839319929750
O             0.7836265877        1.2770947171       -3.5906298160
H             1.3383608253        0.9942278793       -2.8118100322
H             1.3935233118        1.5434420385       -4.2787136236
O            -0.5571181366        3.0933388934        2.1658535394
H            -1.4681716929        2.8263291343        1.9567751902
H            -0.1207016579        2.2645634948        2.4543978050
O            -0.6303864561        3.2150423726       -2.0957699408
H            -0.1346264252        2.6292581982       -2.6871770690
H            -0.0304200398        3.4432944341       -1.3602906152
O             0.8725747740        3.8207297015        0.1219604604
H             0.3027851448        3.5280949258        0.8943393833
H             0.9855378305        4.7652547403        0.2306421897
O            -3.2430299675       -0.4653975461        2.2414449794
H            -2.4880155285       -0.7776974241        2.7869335206
H            -3.2803351386       -1.0565888827        1.4731835165
O            -2.0611482845        1.3666529010       -0.8757425427
H            -1.6488741316        2.1269623172       -1.3521167881
H            -2.4721395723        1.7176472758       -0.0645666403
O            -1.0244375295       -1.2732328344        3.5342959820
H            -0.4622200365       -0.4970580578        3.3571873157
H            -0.5304960667       -2.0220592875        3.1710876560
O             0.6541766274       -3.1452591407        2.2714755618
H             1.4802126237       -2.6752214411        1.9799554918
H             0.9388792641       -3.9860930747        2.6287261924
O            -0.6643368244       -2.6179738343       -0.0123422648
H            -1.6329237375       -2.5896712978        0.0941559865
H            -0.2803136698       -2.9087710014        0.8364980738
O             2.9406569139       -2.0879381039       -1.4212764104
H             2.0850876773       -2.4609120851       -1.7787765092
H             3.6419457654       -2.6432654616       -1.7606399312
O             2.1130879484        0.4754705476       -1.5002621418
H             2.5557999929       -0.3898382197       -1.5470405425
H             1.3336355766        0.3212087389       -0.9037742594
O            -0.7308980592       -0.9699352908       -3.7118082098
H            -1.0154967981       -1.0558671234       -4.6222419856
H            -0.2550427017       -0.1152174346       -3.6449443263
O            -3.3203091490       -2.1856149573        0.0278010148
H            -3.2745366268       -1.6494577597       -0.8126663251
H            -4.0838220114       -2.7562801377       -0.0548859771
O             3.2713233464        0.6301598730        2.1597252938
H             3.9827259613        0.8782432323        2.7490513458
H             3.2724801547        1.2968476283        1.4161705419
O            -3.0340195206        2.0349473752        1.5490276612
H            -3.8647490457        2.4356903920        1.8034424395
H            -3.0836056676        1.0832189015        1.8569769523
O             2.8438151236       -1.9984260470        1.3703881418
H             3.0024595160       -1.0808185724        1.6489923685
H             2.8678618201       -2.0008774841        0.3988518557
O             0.0144071688       -0.0285321521       -0.0099002493
H            -0.7737489260        0.4715181833       -0.3322702059
H            -0.2248137385       -0.9805090309       -0.0456564497
O             0.6577243070       -2.9602238833       -2.3394321172
H             0.2053929168       -2.2961491488       -2.8844982931
H             0.1426845294       -2.9919732785       -1.5115226885
O             3.1755320063        2.3264401641        0.1712629245
H             2.3986758228        2.9134858585        0.2300295695
H             2.9441131279        1.6979066901       -0.5375227677
O             0.5695885629        0.6837492588        2.5147713840
H             1.5388344144        0.6561380334        2.5663533974
H             0.3573477624        0.4133490428        1.5937924407
O            -3.0628463356       -0.7607763979       -2.1531639035
H            -2.8394725003        0.0968394229       -1.7392471564
H            -2.2752903291       -0.9887523710       -2.6713509136
    63
 Energy=    -106.839320339600
O             0.7839801576        1.2784309218       -3.5904487546
H             1.3389881078        0.9952753938       -2.8119787509
H             1.3935877735        1.5457541625       -4.2783809644
O            -0.5574407194        3.0930255179        2.1667637039
H            -1.4683302187        2.8259115445        1.9570943149
H            -0.1207216857        2.2642215796        2.4546703513
O            -0.6300652190        3.2158557971       -2.0951959842
H            -0.1340088287        2.6304068010       -2.6866740404
H            -0.0306032108        3.4434236401       -1.3590784182
O             0.8722449490        3.8202345766        0.1229123064
H             0.3023307134        3.5280112943        0.8954114249
H             0.9841906333        4.7650234907        0.2303620946
O            -3.2428898633       -0.4654593431        2.2415543908
H            -2.4878356447       -0.7771761356        2.7873708589
H            -3.2801914076       -1.0573467159        1.4737755121
O            -2.0611557658        1.3671254225       -0.8766085866
H            -1.6487270050        2.1276603723       -1.3524613021
H            -2.4717059400        1.7176310443       -0.0649929251
O            -1.0243346580       -1.2728632423        3.5351431357
H            -0.4624285390       -0.4967691261        3.3570360801
H            -0.5307210269       -2.0216749638        3.1714614240
O             0.6537257990       -3.1451952951        2.2720969477
H             1.4795563056       -2.6750026866        1.9802849950
H             0.9388316150       -3.9851631286        2.6310300812
O            -0.6642504225       -2.6190873108       -0.0121528183
H            -1.6328265164       -2.5905120731        0.0943144084
H            -0.2802609444       -2.9099407963        0.8367025895
O             2.9400895496       -2.0888957403       -1.4208846571
H             2.0848770908       -2.4621975540       -1.7788405689
H             3.6419504459       -2.6438033518       -1.7597316099
O             2.1132151488        0.4748042198       -1.5007221219
H             2.5555221021       -0.3907617064       -1.5470367487
H             1.3333100453        0.3208692859       -0.9047606420
O            -0.7307209714       -0.9688539307       -3.7114296788
H            -1.0144638234       -1.0545277441       -4.6221636520
H            -0.2544707904       -0.1144385111       -3.6440656130
O            -3.3202125482       -2.1857275201        0.0281172997
H            -3.2743968530       -1.6498481134       -0.8125352559
H            -4.0841337368       -2.7559287524       -0.0540542760
O             3.2717936338        0.6306513135        2.1588359709
H             3.9829341619        0.8790486313        2.7483376141
H             3.2730186572        1.2969955041        1.4150019147
O            -3.0337141872        2.0344448091        1.5485224540
H            -3.8650510886        2.4347862453        1.8015800074
H            -3.0833131188        1.0827439334        1.8566053499
O             2.8428755420       -1.9978800613        1.3708535863
H             3.0017505377       -1.0800960233        1.6488691392
H             2.8669683944       -2.0009455140        0.3992988262
O             0.0141351432       -0.0296539753       -0.0106858500
H            -0.7736817123        0.4705994089       -0.3333675191
H            -0.2253666337       -0.9816064931       -0.0462832004
O             0.6571808022       -2.9606499012       -2.3399538382
H             0.2049523660       -2.2959638509       -2.8844024410
H             0.1427677900       -2.9923014334       -1.5116146691
O             3.1760034436        2.3265311728        0.1700284124
H             2.3989678186        2.9132256481        0.2296362351
H             2.9441425607        1.6977583578       -0.5384138523
O             0.5703019935        0.6832453853        2.5140027878
H             1.5395903900        0.6562763662        2.5650397688
H             0.3576683331        0.4135252385        1.5929857266
O            -3.0625005492       -0.7609416263       -2.1528013143
H            -2.8393797782        0.0968764536       -1.7390886952
H            -2.2750374980       -0.9884033081       -2.6713814865
    63
 Energy=    -106.839320796590
O             0.7842494470        1.2800056059       -3.5901817559
H             1.3395931795        0.9961807668       -2.8122592581
H             1.3934492209        1.5468613816       -4.2786786224
O            -0.5577752252        3.0922766936        2.1677202783
H            -1.4685473427        2.8250213073        1.9576937718
H            -0.1208975437        2.2633686124        2.4551757408
O            -0.6298337975        3.2173400899       -2.0939740663
H            -0.1338377210        2.6322355900       -2.6858244086
H            -0.0304843615        3.4438825707       -1.3573909648
O             0.8722068555        3.8195253886        0.1241495416
H             0.3025380205        3.5275206893        0.8969445403
H             0.9830502656        4.7645940023        0.2302227490
O            -3.2425301400       -0.4654301946        2.2417103553
H            -2.4877424725       -0.7771533747        2.7879047746
H            -3.2795654390       -1.0574014945        1.4739895113
O            -2.0608225009        1.3671239087       -0.8772192221
H            -1.6485321465        2.1280108071       -1.3526246687
H            -2.4716229351        1.7171380184       -0.0654872535
O            -1.0238696679       -1.2722638864        3.5359466987
H            -0.4616711653       -0.4965047366        3.3571888801
H            -0.5308676920       -2.0213856981        3.1719967518
O             0.6530910850       -3.1447096520        2.2729319306
H             1.4788569011       -2.6743562402        1.9811930059
H             0.9383555648       -3.9838678174        2.6336331275
O            -0.6641738856       -2.6202231035       -0.0121801816
H            -1.6327423123       -2.5915880707        0.0940934091
H            -0.2804392920       -2.9110820063        0.8367703286
O             2.9399116579       -2.0901142589       -1.4205607109
H             2.0847084359       -2.4630171488       -1.7788757445
H             3.6417116635       -2.6448696964       -1.7598181564
O             2.1134068280        0.4741450689       -1.5009322397
H             2.5552987174       -0.3916284720       -1.5472393167
H             1.3333504928        0.3205078679       -0.9051143607
O            -0.7301370938       -0.9678860570       -3.7107979163
H            -1.0137036798       -1.0541133604       -4.6215287354
H            -0.2543527688       -0.1131749791       -3.6436664223
O            -3.3202549709       -2.1860588905        0.0282572048
H            -3.2741553133       -1.6498284770       -0.8121506440
H            -4.0846909698       -2.7555153187       -0.0542218583
O             3.2722643984        0.6315052211        2.1578790739
H             3.9834239657        0.8802914289        2.7471897922
H             3.2734100225        1.2976129297        1.4137564983
O            -3.0336026312        2.0341248087        1.5471970438
H            -3.8652705653        2.4345577503        1.7990007601
H            -3.0833657036        1.0825536510        1.8557038007
O             2.8420820099       -1.9973018476        1.3713185078
H             3.0012062751       -1.0794328602        1.6489064741
H             2.8662848099       -2.0009031530        0.3997755040
O             0.0138159446       -0.0300680941       -0.0115561627
H            -0.7739856368        0.4704123402       -0.3340397117
H            -0.2257203208       -0.9819605304       -0.0470050886
O             0.6568434727       -2.9609958958       -2.3404152689
H             0.2048062910       -2.2958829291       -2.8844972184
H             0.1423877786       -2.9932191927       -1.5121333799
O             3.1761026326        2.3266078051        0.1689364846
H             2.3991760436        2.9133640208        0.2292711201
H             2.9435095977        1.6975214116       -0.5389967398
O             0.5707521776        0.6827465854        2.5127997257
H             1.5400704711        0.6563108163        2.5637386982
H             0.3580617277        0.4123237127        1.5919845259
O            -3.0623297925       -0.7610878586       -2.1524455023
H            -2.8392166144        0.0968441640       -1.7389568034
H            -2.2747231520       -0.9887321168       -2.6706987476
    63
 Energy=    -106.839320841330
O             0.7843532882        1.2803618784       -3.5901433911
H             1.3397829415        0.9963317150       -2.8123284737
H             1.3934686375        1.5473755430       -4.2786187593
O            -0.5578101929        3.0920678201        2.1679328342
H            -1.4685359989        2.8248450645        1.9577108078
H            -0.1209122055        2.2630909255        2.4551549175
O            -0.6299068171        3.2175928592       -2.0937257418
H            -0.1337586330        2.6325786928       -2.6855930619
H            -0.0306175969        3.4440893239       -1.3570762072
O             0.8721603035        3.8193990078        0.1242654771
H             0.3025761990        3.5273592540        0.8971331512
H             0.9828238853        4.7644718753        0.2302125747
O            -3.2423964948       -0.4654584271        2.2417495799
H            -2.4876551655       -0.7771215146        2.7879986772
H            -3.2793775836       -1.0574390271        1.4740527099
O            -2.0608255868        1.3670867703       -0.8774203568
H            -1.6484783410        2.1280664701       -1.3526242726
H            -2.4715942349        1.7170500259       -0.0655227355
O            -1.0238244694       -1.2720685259        3.5360072805
H            -0.4614742071       -0.4964357599        3.3573154903
H            -0.5309020717       -2.0212758095        3.1721871041
O             0.6529262818       -3.1445771939        2.2732222192
H             1.4786448008       -2.6742384153        1.9814053835
H             0.9382616095       -3.9835577558        2.6342508297
O            -0.6642581380       -2.6204515562       -0.0122536539
H            -1.6328160160       -2.5918903368        0.0940560527
H            -0.2804676039       -2.9112065007        0.8366701464
O             2.9398823882       -2.0903354484       -1.4206101462
H             2.0846055519       -2.4631933559       -1.7787765524
H             3.6415800609       -2.6452280226       -1.7598497782
O             2.1134026240        0.4739172302       -1.5009842446
H             2.5553577101       -0.3918737766       -1.5472739239
H             1.3334201895        0.3202869011       -0.9051536217
O            -0.7299228069       -0.9676084825       -3.7106447202
H            -1.0134967611       -1.0539246777       -4.6212729838
H            -0.2543201493       -0.1127782107       -3.6435360611
O            -3.3202801821       -2.1861188415        0.0283172698
H            -3.2740471926       -1.6498251545       -0.8120811360
H            -4.0848123142       -2.7554633572       -0.0542915328
O             3.2724018202        0.6317307764        2.1576673079
H             3.9835687190        0.8805619091        2.7469210667
H             3.2734550472        1.2977708561        1.4135485458
O            -3.0336803527        2.0340008132        1.5468255888
H            -3.8653471160        2.4345230523        1.7984455752
H            -3.0834006126        1.0825407070        1.8556351148
O             2.8418720096       -1.9971997461        1.3714490047
H             3.0011708228       -1.0792920467        1.6489115304
H             2.8661839255       -2.0009641199        0.3999133151
O             0.0138019136       -0.0301876466       -0.0117201629
H            -0.7739942477        0.4703472429       -0.3341370995
H            -0.2257600816       -0.9820807628       -0.0471606461
O             0.6567559595       -2.9610837827       -2.3405521188
H             0.2048112539       -2.2957233020       -2.8844746186
H             0.1422472262       -2.9934465506       -1.5123532852
O             3.1761262232        2.3266497459        0.1686529949
H             2.3991481964        2.9134020879        0.2291040243
H             2.9434259960        1.6974788993       -0.5391094450
O             0.5708445038        0.6825306199        2.5125851330
H             1.5401601838        0.6563361222        2.5634599254
H             0.3581194115        0.4120706005        1.5917804277
O            -3.0623005037       -0.7611273653       -2.1523224349
H            -2.8392122936        0.0968330173       -1.7389095488
H            -2.2746426146       -0.9888147331       -2.6705118683
    63
 Energy=    -106.839320862050
O             0.7843890664        1.2805109588       -3.5900953746
H             1.3398549385        0.9964616665       -2.8123488282
H             1.3935003401        1.5475593156       -4.2785782989
O            -0.5578106609        3.0919883884        2.1680127717
H            -1.4685371601        2.8247765934        1.9577154173
H            -0.1209049007        2.2629687586        2.4551287429
O            -0.6299511555        3.2176554029       -2.0936522952
H            -0.1337977755        2.6327277131       -2.6855019042
H            -0.0306589361        3.4441384491       -1.3569568054
O             0.8721397171        3.8193511613        0.1243185791
H             0.3025910419        3.5272859939        0.8971833828
H             0.9827563456        4.7644538188        0.2302506663
O            -3.2423537865       -0.4654611219        2.2417649641
H            -2.4875940734       -0.7771199465        2.7880501977
H            -3.2793043507       -1.0574634048        1.4740647557
O            -2.0608317646        1.3670834203       -0.8774549834
H            -1.6484427793        2.1280806845       -1.3526206734
H            -2.4715555180        1.7170064824       -0.0655842469
O            -1.0238278324       -1.2719760617        3.5360263717
H            -0.4613890929       -0.4964054430        3.3573643495
H            -0.5309080211       -2.0212336628        3.1722707816
O             0.6528541115       -3.1445160124        2.2733460622
H             1.4785696464       -2.6742069286        1.9814857004
H             0.9382226732       -3.9834305290        2.6344970824
O            -0.6642761133       -2.6205180864       -0.0123075773
H            -1.6328451913       -2.5920309904        0.0940445888
H            -0.2804783486       -2.9112423632        0.8366354105
O             2.9398726608       -2.0904345866       -1.4206152062
H             2.0845606167       -2.4632670449       -1.7787516388
H             3.6414991669       -2.6453977369       -1.7598740752
O             2.1134661524        0.4738234725       -1.5009811548
H             2.5553981569       -0.3919259157       -1.5472845958
H             1.3334288923        0.3201732086       -0.9051659918
O            -0.7298118670       -0.9674635764       -3.7105354571
H            -1.0134434600       -1.0538782260       -4.6212038357
H            -0.2543091851       -0.1125918341       -3.6435286681
O            -3.3203061679       -2.1861365607        0.0283266747
H            -3.2740252185       -1.6498120181       -0.8120276637
H            -4.0848546030       -2.7554478607       -0.0543168268
O             3.2724388920        0.6318012049        2.1576049013
H             3.9836398520        0.8806695423        2.7468243264
H             3.2734709344        1.2978498790        1.4134481468
O            -3.0337180574        2.0339553245        1.5466870231
H            -3.8653924257        2.4345286309        1.7982304545
H            -3.0834121626        1.0825187109        1.8556175721
O             2.8417787876       -1.9971521039        1.3715189117
H             3.0011705556       -1.0792523391        1.6489002879
H             2.8661438999       -2.0009877471        0.3999759974
O             0.0137784619       -0.0302425433       -0.0117213420
H            -0.7739840472        0.4703069270       -0.3341959472
H            -0.2257751477       -0.9821282775       -0.0472431993
O             0.6567175051       -2.9611188140       -2.3406322958
H             0.2048320087       -2.2956747995       -2.8844403886
H             0.1421991857       -2.9935135090       -1.5124246348
O             3.1761087438        2.3266954542        0.1685505489
H             2.3991507370        2.9133808995        0.2290079790
H             2.9433664082        1.6974567982       -0.5391975175
O             0.5708704910        0.6824329593        2.5125007317
H             1.5401889444        0.6563446787        2.5633468195
H             0.3581521690        0.4119843777        1.5916812675
O            -3.0622759693       -0.7611599101       -2.1522901966
H            -2.8392036040        0.0968453304       -1.7389058187
H            -2.2746206264       -0.9888686491       -2.6704345440
    63
 Energy=    -106.839321027380
O             0.7844377334        1.2815350036       -3.5897396944
H             1.3398073003        0.9968692146       -2.8121662494
H             1.3936691248        1.5476390371       -4.2785411790
O            -0.5575957039        3.0911318725        2.1682764841
H            -1.4683702419        2.8243713875        1.9577149754
H            -0.1210368582        2.2617859135        2.4550462153
O            -0.6304032391        3.2184206202       -2.0931160381
H            -0.1339231974        2.6339294047       -2.6851372548
H            -0.0312649622        3.4447022185       -1.3562669784
O             0.8718779186        3.8192038065        0.1247683000
H             0.3025653895        3.5267017095        0.8976846439
H             0.9825415763        4.7642087227        0.2313566899
O            -3.2419970843       -0.4654337700        2.2417570442
H            -2.4869436283       -0.7766183840        2.7879628052
H            -3.2788201476       -1.0575189937        1.4741218266
O            -2.0605543968        1.3669431599       -0.8777589220
H            -1.6483229514        2.1281740713       -1.3526838773
H            -2.4715431768        1.7165930377       -0.0659476585
O            -1.0237376868       -1.2715245915        3.5367219991
H            -0.4612369580       -0.4961031517        3.3575741891
H            -0.5311846311       -2.0209440870        3.1727717175
O             0.6522642698       -3.1442233210        2.2737531342
H             1.4779393442       -2.6737888481        1.9820681704
H             0.9379450766       -3.9825187578        2.6361528023
O            -0.6645314293       -2.6208872850       -0.0126984045
H            -1.6330808699       -2.5926248271        0.0939033015
H            -0.2806577388       -2.9109191394        0.8364009554
O             2.9397238209       -2.0910095580       -1.4206465625
H             2.0842591095       -2.4635150098       -1.7787080952
H             3.6408744707       -2.6464206084       -1.7601634446
O             2.1136062096        0.4733095371       -1.5011503842
H             2.5558754208       -0.3922550110       -1.5473893058
H             1.3335298414        0.3193678465       -0.9054830079
O            -0.7293323302       -0.9667191560       -3.7097725643
H            -1.0130007854       -1.0534123312       -4.6204455076
H            -0.2541875302       -0.1116537108       -3.6429241392
O            -3.3203941342       -2.1862532791        0.0283818445
H            -3.2738406371       -1.6497661229       -0.8118530909
H            -4.0850691783       -2.7553414707       -0.0545990447
O             3.2727651867        0.6323624106        2.1572622318
H             3.9841533501        0.8813544043        2.7462200945
H             3.2736345762        1.2983019934        1.4130177827
O            -3.0338040555        2.0339443796        1.5463842916
H            -3.8659046818        2.4344421079        1.7966625831
H            -3.0837630294        1.0825285662        1.8554222087
O             2.8414535915       -1.9968372244        1.3717212974
H             3.0013550803       -1.0789820788        1.6488126851
H             2.8661154782       -2.0010551825        0.4002300141
O             0.0136996403       -0.0308222890       -0.0118888353
H            -0.7738498558        0.4699357966       -0.3345296030
H            -0.2261051589       -0.9826140881       -0.0476937332
O             0.6566300181       -2.9613688173       -2.3410302183
H             0.2052383242       -2.2951223833       -2.8842752406
H             0.1418361786       -2.9940595181       -1.5129895689
O             3.1761466322        2.3268655394        0.1676441264
H             2.3990633566        2.9133714839        0.2283167258
H             2.9432504502        1.6974072955       -0.5398800073
O             0.5712127040        0.6819981590        2.5122251114
H             1.5405696694        0.6562120469        2.5626435297
H             0.3582630964        0.4115492216        1.5914581364
O            -3.0620243819       -0.7614863265       -2.1522528421
H            -2.8391348774        0.0966876086       -1.7391307223
H            -2.2741773002       -0.9892906560       -2.6700662640
    63
 Energy=    -106.839321068180
O             0.7844129160        1.2813676310       -3.5897583507
H             1.3397316397        0.9968200661       -2.8121003015
H             1.3936735954        1.5479268944       -4.2783220675
O            -0.5575437579        3.0909862473        2.1680757612
H            -1.4683673750        2.8243286949        1.9575877749
H            -0.1209764862        2.2616781854        2.4549611940
O            -0.6303267074        3.2182567812       -2.0932167223
H            -0.1338453651        2.6336567936       -2.6851235766
H            -0.0312835455        3.4446783134       -1.3563003863
O             0.8718523303        3.8193341328        0.1247546450
H             0.3025056618        3.5266689774        0.8975871762
H             0.9826141901        4.7643451141        0.2315836225
O            -3.2418816495       -0.4653122036        2.2416273876
H            -2.4868823372       -0.7765420528        2.7878660868
H            -3.2788262960       -1.0575478198        1.4741121907
O            -2.0605357278        1.3669149765       -0.8777073445
H            -1.6483100522        2.1281002003       -1.3527358447
H            -2.4715584871        1.7166469942       -0.0659117773
O            -1.0238137468       -1.2715559274        3.5367851971
H            -0.4613275926       -0.4961140874        3.3577121188
H            -0.5312618271       -2.0209501084        3.1727837076
O             0.6522904015       -3.1441816414        2.2736132600
H             1.4779494669       -2.6737162230        1.9819524493
H             0.9378782287       -3.9824573774        2.6360891434
O            -0.6646006808       -2.6207984676       -0.0127001439
H            -1.6331719253       -2.5924691602        0.0937768533
H            -0.2806214696       -2.9108197454        0.8363751453
O             2.9397296566       -2.0911021344       -1.4206194668
H             2.0841814140       -2.4634679867       -1.7787205528
H             3.6409311962       -2.6463199635       -1.7603244864
O             2.1135713002        0.4733237449       -1.5011820030
H             2.5559551763       -0.3921971473       -1.5474654347
H             1.3335482909        0.3192919609       -0.9054462222
O            -0.7294212209       -0.9668092304       -3.7097264335
H            -1.0131412508       -1.0536162975       -4.6203344462
H            -0.2542272970       -0.1117387002       -3.6429758652
O            -3.3204325421       -2.1862724320        0.0283671883
H            -3.2739437275       -1.6497724483       -0.8118700995
H            -4.0850367470       -2.7554419096       -0.0545917667
O             3.2728189675        0.6323920965        2.1573160406
H             3.9842198723        0.8813151168        2.7462768618
H             3.2736189079        1.2983475182        1.4130787384
O            -3.0338656506        2.0340349648        1.5463935174
H            -3.8659920854        2.4344582517        1.7966973845
H            -3.0837452537        1.0826249249        1.8554089992
O             2.8415482786       -1.9968496472        1.3717092386
H             3.0014465369       -1.0789717652        1.6488139679
H             2.8662366402       -2.0010784146        0.4001895666
O             0.0137677225       -0.0308015517       -0.0118997001
H            -0.7737909006        0.4699839161       -0.3344898055
H            -0.2260718843       -0.9826118785       -0.0476536773
O             0.6566502626       -2.9613159771       -2.3409693366
H             0.2053499046       -2.2951041882       -2.8843393972
H             0.1418798853       -2.9941408473       -1.5129408658
O             3.1760116231        2.3268282333        0.1677402361
H             2.3989567497        2.9134062573        0.2282584947
H             2.9433043686        1.6974599831       -0.5398907269
O             0.5712757070        0.6819219059        2.5123255564
H             1.5406275374        0.6561463619        2.5628580895
H             0.3582788618        0.4115099967        1.5915673089
O            -3.0620999496       -0.7614299355       -2.1522695548
H            -2.8391983292        0.0967268864       -1.7391195787
H            -2.2742043255       -0.9892172526       -2.6700294854
    63
 Energy=    -106.839321145710
O             0.7844918708        1.2819654032       -3.5894873319
H             1.3397534036        0.9972705621       -2.8118702964
H             1.3938839592        1.5488690014       -4.2777839421
O            -0.5576218575        3.0902790334        2.1680384959
H            -1.4684740580        2.8236655650        1.9575916123
H            -0.1209399645        2.2609722223        2.4547086222
O            -0.6304298943        3.2185685566       -2.0929898538
H            -0.1336880740        2.6340045370       -2.6847038745
H            -0.0315883165        3.4451452891       -1.3559637520
O             0.8717689473        3.8196527424        0.1251233633
H             0.3024165293        3.5263796199        0.8977272052
H             0.9826920471        4.7644911215        0.2330220626
O            -3.2414157164       -0.4650398015        2.2413728962
H            -2.4866464601       -0.7762686876        2.7879685801
H            -3.2786361831       -1.0576672981        1.4741738800
O            -2.0604522181        1.3666459423       -0.8777782010
H            -1.6482743401        2.1278152759       -1.3528162290
H            -2.4713625087        1.7164561606       -0.0659505236
O            -1.0239167888       -1.2711866884        3.5374482947
H            -0.4612564037       -0.4959027850        3.3581975100
H            -0.5316146586       -2.0206341111        3.1731759091
O             0.6518972970       -3.1435488781        2.2737339052
H             1.4776798283       -2.6733507292        1.9819673606
H             0.9374019587       -3.9814442218        2.6371393100
O            -0.6647079537       -2.6211945711       -0.0128078913
H            -1.6332722525       -2.5925555643        0.0935798776
H            -0.2810203424       -2.9111963484        0.8363992401
O             2.9396233189       -2.0917157316       -1.4203390991
H             2.0840168700       -2.4636827671       -1.7786932244
H             3.6406149467       -2.6469491179       -1.7604750080
O             2.1136554771        0.4728998974       -1.5014414554
H             2.5561932885       -0.3926272978       -1.5477945054
H             1.3337424868        0.3187169759       -0.9056294404
O            -0.7290811318       -0.9663759566       -3.7091638564
H            -1.0129411513       -1.0534152515       -4.6197717208
H            -0.2541199548       -0.1111784084       -3.6427014522
O            -3.3205968419       -2.1863505807        0.0283967180
H            -3.2741138075       -1.6498768654       -0.8118581990
H            -4.0851593795       -2.7556184980       -0.0544824613
O             3.2732348028        0.6327687344        2.1568456040
H             3.9845841726        0.8818935433        2.7457889647
H             3.2738547862        1.2987145475        1.4126255593
O            -3.0341129885        2.0342070708        1.5459269482
H            -3.8665670366        2.4342914121        1.7957020687
H            -3.0836109731        1.0828295775        1.8551113309
O             2.8414068227       -1.9966568239        1.3718243262
H             3.0014966802       -1.0787484817        1.6486574203
H             2.8661703353       -2.0011464923        0.4003164620
O             0.0138658268       -0.0312083950       -0.0122586555
H            -0.7736405684        0.4697129192       -0.3347617367
H            -0.2261391487       -0.9829608873       -0.0479465957
O             0.6566418957       -2.9613036049       -2.3411275515
H             0.2054439619       -2.2947894369       -2.8842332529
H             0.1416651297       -2.9944851362       -1.5132392879
O             3.1757515444        2.3270212573        0.1671680610
H             2.3985891076        2.9134602866        0.2275614825
H             2.9431786011        1.6974217994       -0.5403809050
O             0.5716290294        0.6812692820        2.5120755568
H             1.5409923730        0.6559357130        2.5625876120
H             0.3587776828        0.4107790189        1.5912825124
O            -3.0620216570       -0.7615508705       -2.1523214521
H            -2.8392121097        0.0966284485       -1.7391513304
H            -2.2739691402       -0.9893436282       -2.6698061880
    63
 Energy=    -106.839321163530
O             0.7844864762        1.2819431859       -3.5894827975
H             1.3397426824        0.9972025067       -2.8118587219
H             1.3938705081        1.5487571859       -4.2778274354
O            -0.5576195434        3.0903252356        2.1680302930
H            -1.4684632970        2.8236861337        1.9575931304
H            -0.1209491409        2.2610246482        2.4547134827
O            -0.6304630733        3.2185546702       -2.0930195600
H            -0.1337202057        2.6339955068       -2.6847583384
H            -0.0316053521        3.4451588126       -1.3560431443
O             0.8717665255        3.8196252525        0.1250646387
H             0.3024202016        3.5263916674        0.8976765900
H             0.9827324538        4.7644682888        0.2329508003
O            -3.2414508385       -0.4650567030        2.2413869454
H            -2.4866743240       -0.7762884816        2.7879494730
H            -3.2786474897       -1.0576497326        1.4741653987
O            -2.0604674372        1.3666667880       -0.8777584798
H            -1.6483002082        2.1278301362       -1.3528093049
H            -2.4713671915        1.7164684657       -0.0659312386
O            -1.0239216095       -1.2712132832        3.5374103639
H            -0.4612718283       -0.4959230307        3.3581883039
H            -0.5316034168       -2.0206530772        3.1731466805
O             0.6519252301       -3.1435569604        2.2737177876
H             1.4777119012       -2.6733707968        1.9819278615
H             0.9374219739       -3.9815019834        2.6370369889
O            -0.6647057828       -2.6211732522       -0.0128084915
H            -1.6332616941       -2.5925219528        0.0935989752
H            -0.2810187299       -2.9111827654        0.8363921634
O             2.9396474208       -2.0916376895       -1.4203826485
H             2.0840446173       -2.4636745869       -1.7786805948
H             3.6406413117       -2.6469033616       -1.7604481534
O             2.1136879661        0.4728909742       -1.5014135205
H             2.5561416424       -0.3926021978       -1.5477527051
H             1.3337317288        0.3187625756       -0.9056092825
O            -0.7290898563       -0.9664135265       -3.7091987939
H            -1.0129523506       -1.0533869756       -4.6197872216
H            -0.2541175785       -0.1112365152       -3.6426669301
O            -3.3205852101       -2.1863351061        0.0283852347
H            -3.2741095763       -1.6498839564       -0.8118799180
H            -4.0851409531       -2.7556105471       -0.0544951813
O             3.2732129223        0.6327236058        2.1568818941
H             3.9845570596        0.8818569238        2.7458269552
H             3.2738428476        1.2986846189        1.4126594587
O            -3.0341055192        2.0342206837        1.5459535340
H            -3.8665396390        2.4342947173        1.7957875442
H            -3.0836181900        1.0828370378        1.8551370358
O             2.8414385980       -1.9966707293        1.3718077171
H             3.0014949409       -1.0787676208        1.6486583198
H             2.8661849756       -2.0011474518        0.4003002985
O             0.0138767045       -0.0311851869       -0.0122270298
H            -0.7736443381        0.4697228827       -0.3347244995
H            -0.2261219700       -0.9829397376       -0.0479118602
O             0.6566402983       -2.9612975946       -2.3411304506
H             0.2054126309       -2.2947993045       -2.8842332942
H             0.1416899035       -2.9944352363       -1.5132235230
O             3.1757814164        2.3270200943        0.1671863723
H             2.3985978826        2.9134508237        0.2276085502
H             2.9431997852        1.6974248310       -0.5403286134
O             0.5716092644        0.6813064004        2.5121051251
H             1.5409743275        0.6559362392        2.5626224924
H             0.3587702858        0.4108089176        1.5913285235
O            -3.0620212475       -0.7615477458       -2.1523195748
H            -2.8392082347        0.0966208653       -1.7391431276
H            -2.2739795585       -0.9893359826       -2.6698350194
    63
 Energy=    -106.839321176350
O             0.7844776559        1.2819608830       -3.5894251892
H             1.3397157832        0.9971384549       -2.8118106042
H             1.3938623088        1.5486624825       -4.2778237412
O            -0.5576235050        3.0903198006        2.1680005227
H            -1.4684612268        2.8236419677        1.9575986200
H            -0.1209558014        2.2610200867        2.4546970759
O            -0.6305349356        3.2185506322       -2.0930673741
H            -0.1337744906        2.6340082939       -2.6848212901
H            -0.0316557191        3.4452371329       -1.3561513697
O             0.8717477131        3.8196319063        0.1250001216
H             0.3024125177        3.5263616928        0.8975983085
H             0.9828137099        4.7644465036        0.2329983103
O            -3.2414577469       -0.4650401174        2.2413696059
H            -2.4866908944       -0.7762947432        2.7879207679
H            -3.2786418089       -1.0576274854        1.4741472144
O            -2.0604708027        1.3666722924       -0.8777253579
H            -1.6483355183        2.1278307427       -1.3528173693
H            -2.4713541878        1.7164823003       -0.0659028076
O            -1.0239511900       -1.2712314857        3.5374241157
H            -0.4612954632       -0.4959364902        3.3582395002
H            -0.5316336021       -2.0206530528        3.1731371861
O             0.6519398240       -3.1434923377        2.2736941145
H             1.4777389634       -2.6733530495        1.9818428010
H             0.9373941598       -3.9814750286        2.6369635229
O            -0.6647133958       -2.6211663624       -0.0128251259
H            -1.6332656481       -2.5924616335        0.0935966669
H            -0.2810546168       -2.9111949955        0.8363786171
O             2.9396774541       -2.0915639243       -1.4204425125
H             2.0840764305       -2.4636872827       -1.7786466111
H             3.6406673445       -2.6468800505       -1.7604334881
O             2.1137366015        0.4728641990       -1.5013701374
H             2.5560920572       -0.3926385455       -1.5477184936
H             1.3337430720        0.3187741310       -0.9055962208
O            -0.7290865306       -0.9664405304       -3.7091823812
H            -1.0129661665       -1.0533271604       -4.6197496657
H            -0.2540964888       -0.1112803753       -3.6425673959
O            -3.3205896282       -2.1863180138        0.0283668566
H            -3.2741416084       -1.6499046769       -0.8119245899
H            -4.0851138135       -2.7556215929       -0.0545044201
O             3.2732255255        0.6326997483        2.1568975988
H             3.9845592891        0.8818526119        2.7458483371
H             3.2738524787        1.2986667053        1.4126749979
O            -3.0341231612        2.0342651781        1.5459509146
H            -3.8665712512        2.4342856647        1.7958253591
H            -3.0836142310        1.0828866758        1.8551383330
O             2.8414834850       -1.9966776162        1.3717872342
H             3.0015085699       -1.0787703365        1.6486439355
H             2.8662118885       -2.0011570743        0.4002872483
O             0.0139044457       -0.0311792141       -0.0121937741
H            -0.7736276381        0.4697135334       -0.3346861222
H            -0.2260940629       -0.9829381784       -0.0478848336
O             0.6566351260       -2.9612914971       -2.3411517331
H             0.2053791113       -2.2947926447       -2.8842296946
H             0.1417290192       -2.9943890330       -1.5132194608
O             3.1757936891        2.3270396940        0.1671630311
H             2.3985803567        2.9134304364        0.2276052745
H             2.9432197571        1.6974209842       -0.5402985577
O             0.5716270787        0.6812990781        2.5121395874
H             1.5409870306        0.6559013563        2.5626752158
H             0.3588172641        0.4107660791        1.5913824974
O            -3.0620171204       -0.7615589803       -2.1523171156
H            -2.8392068571        0.0966063840       -1.7391349008
H            -2.2739794974       -0.9893365229       -2.6698616789
    63
 Energy=    -106.839321179310
O             0.7844678611        1.2820193777       -3.5893439567
H             1.3396899612        0.9971180436       -2.8117443342
H             1.3938622300        1.5485798727       -4.2777912959
O            -0.5576369624        3.0902365061        2.1679828030
H            -1.4684762149        2.8235521996        1.9576072116
H            -0.1209575618        2.2609422605        2.4546689286
O            -0.6306245888        3.2185754952       -2.0930761185
H            -0.1338184913        2.6340795677       -2.6848473220
H            -0.0317246993        3.4453637806       -1.3562108496
O             0.8717260980        3.8196713242        0.1249958493
H             0.3023902915        3.5263099820        0.8975516503
H             0.9829248394        4.7644546056        0.2332016744
O            -3.2414340891       -0.4649997544        2.2413392749
H            -2.4866821906       -0.7762750234        2.7878999376
H            -3.2786137419       -1.0576032319        1.4741291680
O            -2.0604492834        1.3666465688       -0.8777009349
H            -1.6483632645        2.1278127628       -1.3528306523
H            -2.4713361449        1.7164744133       -0.0658829987
O            -1.0239937438       -1.2712068146        3.5374989202
H            -0.4613179145       -0.4959254983        3.3583382720
H            -0.5316936358       -2.0206278034        3.1731638525
O             0.6519221046       -3.1433654134        2.2736771564
H             1.4777313485       -2.6732925880        1.9817646744
H             0.9373286853       -3.9813611815        2.6369853145
O            -0.6647451140       -2.6211978705       -0.0128478027
H            -1.6332967278       -2.5924121146        0.0935714785
H            -0.2811107018       -2.9112323194        0.8363696910
O             2.9396985606       -2.0915469491       -1.4204866007
H             2.0840837720       -2.4637164290       -1.7786032351
H             3.6406799744       -2.6469097141       -1.7604217506
O             2.1137798684        0.4728167397       -1.5013502041
H             2.5560768455       -0.3927097390       -1.5477295980
H             1.3337687391        0.3187393219       -0.9056016163
O            -0.7290557639       -0.9664344467       -3.7091269329
H            -1.0129610138       -1.0532556697       -4.6196818064
H            -0.2540619522       -0.1112644178       -3.6424399373
O            -3.3206019430       -2.1863024580        0.0283499405
H            -3.2741874619       -1.6499332167       -0.8119696032
H            -4.0851017223       -2.7556511801       -0.0545057353
O             3.2732754394        0.6327225114        2.1568645433
H             3.9845901782        0.8819009708        2.7458216444
H             3.2738860787        1.2986807263        1.4126382744
O            -3.0341658999        2.0343264366        1.5459201671
H            -3.8666516988        2.4342675494        1.7957669225
H            -3.0836024393        1.0829500719        1.8551047016
O             2.8415123712       -1.9966693024        1.3717785461
H             3.0015306620       -1.0787566182        1.6486155542
H             2.8662322309       -2.0011741364        0.4002709548
O             0.0139326206       -0.0312130184       -0.0121799641
H            -0.7735994898        0.4696754517       -0.3346797035
H            -0.2260595242       -0.9829727175       -0.0478909316
O             0.6566229849       -2.9612846579       -2.3411823804
H             0.2053651783       -2.2947600519       -2.8842229368
H             0.1417564920       -2.9943771156       -1.5132235821
O             3.1757800241        2.3270678054        0.1670981063
H             2.3985292987        2.9134221594        0.2275377968
H             2.9432268442        1.6974148878       -0.5403316625
O             0.5716814432        0.6812404945        2.5121428811
H             1.5410421818        0.6558439182        2.5627034310
H             0.3588982310        0.4106529418        1.5913960702
O            -3.0619983318       -0.7615915923       -2.1523319093
H            -2.8392057169        0.0965742949       -1.7391367435
H            -2.2739543113       -0.9893523977       -2.6698728130
    63
 Energy=    -106.839321223570
O             0.7844172763        1.2820442511       -3.5892017578
H             1.3397737516        0.9970165186       -2.8117420028
H             1.3937187445        1.5486848873       -4.2777150324
O            -0.5577117526        3.0897258444        2.1681288651
H            -1.4685956067        2.8232359409        1.9576797220
H            -0.1210177161        2.2603787692        2.4546301699
O            -0.6306097977        3.2186638458       -2.0927929706
H            -0.1336140888        2.6343674263       -2.6845710240
H            -0.0317297332        3.4458624039       -1.3560201875
O             0.8717030554        3.8199834443        0.1254333420
H             0.3022510669        3.5263026026        0.8977980892
H             0.9832705840        4.7646701500        0.2342124672
O            -3.2413589335       -0.4648911335        2.2413103749
H            -2.4865881992       -0.7761211361        2.7879070466
H            -3.2783918629       -1.0573770081        1.4740068869
O            -2.0602547155        1.3665270323       -0.8777388242
H            -1.6482396630        2.1277982702       -1.3527992314
H            -2.4713013538        1.7163604897       -0.0660196063
O            -1.0241232089       -1.2710309192        3.5378408396
H            -0.4613808750       -0.4957994925        3.3587493265
H            -0.5319391748       -2.0204469548        3.1733732922
O             0.6517175401       -3.1428676813        2.2737077232
H             1.4775440848       -2.6728800815        1.9817190813
H             0.9371057410       -3.9807202099        2.6373622076
O            -0.6649724598       -2.6214282610       -0.0129611702
H            -1.6335368527       -2.5924006854        0.0934598676
H            -0.2812874290       -2.9113121674        0.8362811736
O             2.9397406451       -2.0916785939       -1.4205276311
H             2.0840863696       -2.4638743092       -1.7785546833
H             3.6408086685       -2.6469947369       -1.7603561531
O             2.1138119554        0.4726571874       -1.5014627191
H             2.5560754428       -0.3929461076       -1.5479718914
H             1.3338189277        0.3186349378       -0.9056935851
O            -0.7290044048       -0.9663941947       -3.7089634118
H            -1.0128700347       -1.0531858099       -4.6195521686
H            -0.2540029310       -0.1112421095       -3.6421927574
O            -3.3206720797       -2.1863232854        0.0282973516
H            -3.2743317628       -1.6500193514       -0.8120676518
H            -4.0851178028       -2.7557828254       -0.0544410503
O             3.2735304129        0.6329296551        2.1565514655
H             3.9847991159        0.8822807076        2.7454989904
H             3.2739830658        1.2988267059        1.4122677750
O            -3.0343369004        2.0344740582        1.5457114096
H            -3.8670013599        2.4342597182        1.7952422407
H            -3.0836340643        1.0830612439        1.8547999247
O             2.8414685025       -1.9965854053        1.3717157864
H             3.0015936746       -1.0786593795        1.6485039669
H             2.8662762588       -2.0011705870        0.4002152306
O             0.0140094658       -0.0314732191       -0.0122452102
H            -0.7735049644        0.4694569136       -0.3347520807
H            -0.2258861994       -0.9832468128       -0.0480662762
O             0.6565940036       -2.9613331569       -2.3411489494
H             0.2053378001       -2.2947786557       -2.8841669641
H             0.1417573036       -2.9944503422       -1.5131823800
O             3.1756223660        2.3271750529        0.1667964379
H             2.3983751385        2.9135069233        0.2273086605
H             2.9430125187        1.6974402706       -0.5405611177
O             0.5719919539        0.6808603503        2.5119873880
H             1.5413431387        0.6556157390        2.5625764286
H             0.3592026236        0.4101334020        1.5912646963
O            -3.0620528956       -0.7616960603       -2.1524069738
H            -2.8392269592        0.0963976430       -1.7391001025
H            -2.2739343163       -0.9894641118       -2.6698531837
    63
 Energy=    -106.839321250310
O             0.7845210810        1.2821106472       -3.5890098668
H             1.3399761689        0.9970107426       -2.8116486399
H             1.3936948517        1.5490612058       -4.2774921331
O            -0.5576598491        3.0895287072        2.1680217182
H            -1.4685760463        2.8231332180        1.9576436780
H            -0.1210667073        2.2600898325        2.4544393508
O            -0.6307125214        3.2187922601       -2.0929512638
H            -0.1338091178        2.6342877586       -2.6846193653
H            -0.0318343656        3.4460135553       -1.3562119419
O             0.8716108974        3.8200935530        0.1253367862
H             0.3021711159        3.5264422809        0.8977036006
H             0.9835931794        4.7646885278        0.2343961954
O            -3.2413996550       -0.4648223284        2.2412845455
H            -2.4867053179       -0.7760887678        2.7879469643
H            -3.2783250944       -1.0572112452        1.4739043344
O            -2.0601491429        1.3664565227       -0.8776937077
H            -1.6480906486        2.1277056935       -1.3527252039
H            -2.4713264237        1.7163144342       -0.0660370214
O            -1.0242472931       -1.2709685681        3.5379633384
H            -0.4614637155       -0.4957306312        3.3589678326
H            -0.5320267372       -2.0203285295        3.1734031866
O             0.6516199941       -3.1426576661        2.2736540495
H             1.4774255206       -2.6725801587        1.9817249106
H             0.9370937167       -3.9804537965        2.6373350454
O            -0.6650964509       -2.6214551594       -0.0130708819
H            -1.6336536273       -2.5925127703        0.0934170413
H            -0.2813706540       -2.9112354380        0.8361838932
O             2.9398131814       -2.0917914031       -1.4205194733
H             2.0842571586       -2.4640910711       -1.7786498800
H             3.6409611856       -2.6470753726       -1.7602269721
O             2.1139216795        0.4725573691       -1.5013690313
H             2.5560503584       -0.3930732064       -1.5479399815
H             1.3339388289        0.3185484429       -0.9055736701
O            -0.7290377231       -0.9662716008       -3.7089616720
H            -1.0128185125       -1.0528861064       -4.6195836377
H            -0.2539369225       -0.1111751148       -3.6420942131
O            -3.3207408717       -2.1863147124        0.0283164304
H            -3.2744427801       -1.6500849945       -0.8121118637
H            -4.0850791223       -2.7558836673       -0.0543996288
O             3.2736648627        0.6329183219        2.1563891987
H             3.9848938828        0.8824413253        2.7453054306
H             3.2739658257        1.2988522798        1.4121383350
O            -3.0344856629        2.0343931252        1.5456176829
H            -3.8670857991        2.4342564283        1.7952275103
H            -3.0838768685        1.0830242127        1.8548396865
O             2.8414662520       -1.9965834180        1.3716223050
H             3.0016950818       -1.0786808942        1.6483901645
H             2.8663594337       -2.0011884555        0.4001227274
O             0.0141575974       -0.0316556492       -0.0122020666
H            -0.7733622257        0.4692928337       -0.3346159605
H            -0.2258117111       -0.9834173567       -0.0481153120
O             0.6566086645       -2.9613514486       -2.3410205762
H             0.2053419435       -2.2948691825       -2.8841112348
H             0.1417224196       -2.9944171629       -1.5130710233
O             3.1755226919        2.3272271401        0.1667331836
H             2.3982474116        2.9135248558        0.2272650455
H             2.9429249848        1.6974531133       -0.5405983397
O             0.5721373475        0.6806475408        2.5120770091
H             1.5415094677        0.6554995508        2.5625390309
H             0.3593298549        0.4099391180        1.5913706628
O            -3.0621522433       -0.7616646432       -2.1523452342
H            -2.8392695704        0.0963892571       -1.7389633729
H            -2.2740721599       -0.9894157328       -2.6698382246
    63
 Energy=    -106.839321280370
O             0.7844459423        1.2822464920       -3.5888947932
H             1.3399182625        0.9970975245       -2.8115782164
H             1.3935981268        1.5491562929       -4.2774376262
O            -0.5577011453        3.0892199379        2.1680033859
H            -1.4686082424        2.8228018828        1.9575896580
H            -0.1210171871        2.2597829274        2.4542944708
O            -0.6306497862        3.2188684762       -2.0927910402
H            -0.1337073371        2.6344041389       -2.6844738170
H            -0.0317606272        3.4461412016       -1.3560816315
O             0.8716634636        3.8202811819        0.1255601921
H             0.3022483620        3.5265369683        0.8979172003
H             0.9837651831        4.7648403817        0.2347400947
O            -3.2416577562       -0.4648551210        2.2412734077
H            -2.4869473792       -0.7759913459        2.7879965310
H            -3.2784657951       -1.0573327776        1.4739512532
O            -2.0598336749        1.3663370870       -0.8776256210
H            -1.6478617147        2.1276609674       -1.3526159820
H            -2.4711548928        1.7161165715       -0.0660095819
O            -1.0244976221       -1.2707433820        3.5380822551
H            -0.4616196540       -0.4955836317        3.3591341367
H            -0.5323352643       -2.0201434077        3.1735276022
O             0.6514941945       -3.1422246380        2.2736969538
H             1.4772424821       -2.6721410096        1.9816111045
H             0.9370639575       -3.9800312204        2.6372718765
O            -0.6652152041       -2.6216662951       -0.0130684553
H            -1.6337772044       -2.5926633603        0.0933369822
H            -0.2815518731       -2.9112005664        0.8363128190
O             2.9400789165       -2.0919483074       -1.4206062183
H             2.0845225791       -2.4642351795       -1.7787238480
H             3.6412286939       -2.6473210913       -1.7601745799
O             2.1139800113        0.4724269145       -1.5013212276
H             2.5563565353       -0.3930814918       -1.5478110499
H             1.3340160320        0.3182412593       -0.9055453339
O            -0.7290879072       -0.9663349017       -3.7091141125
H            -1.0127960384       -1.0527010766       -4.6197900754
H            -0.2540428726       -0.1112420363       -3.6419887222
O            -3.3208205131       -2.1863675049        0.0283438698
H            -3.2745876161       -1.6500245256       -0.8120015357
H            -4.0851679748       -2.7559284943       -0.0543723353
O             3.2738918516        0.6329831470        2.1561022908
H             3.9851329912        0.8826499995        2.7449460279
H             3.2740073624        1.2989147390        1.4118419149
O            -3.0346645576        2.0343863681        1.5455269719
H            -3.8671933060        2.4344379123        1.7950888100
H            -3.0842089766        1.0830486123        1.8548072798
O             2.8414002886       -1.9964306806        1.3715062810
H             3.0019287291       -1.0785498852        1.6481671786
H             2.8663012764       -2.0011718572        0.4000041657
O             0.0142717630       -0.0319262799       -0.0121202421
H            -0.7731386206        0.4691988351       -0.3345407037
H            -0.2258661681       -0.9836399751       -0.0481564116
O             0.6567529247       -2.9614982528       -2.3409994314
H             0.2054468989       -2.2950884987       -2.8841204182
H             0.1418769829       -2.9945592372       -1.5130423106
O             3.1753612100        2.3273981028        0.1666019270
H             2.3980204722        2.9136263587        0.2272593948
H             2.9427594238        1.6976573773       -0.5407429327
O             0.5723236256        0.6804660581        2.5120752903
H             1.5416972097        0.6553891546        2.5624479193
H             0.3594416137        0.4095549972        1.5914425762
O            -3.0622875355       -0.7615277394       -2.1522992337
H            -2.8391361462        0.0964754505       -1.7389514446
H            -2.2743656719       -0.9894359470       -2.6699534098
    63
 Energy=    -106.839321297580
O             0.7843431501        1.2820743064       -3.5887534146
H             1.3398805380        0.9969542315       -2.8114699519
H             1.3934348034        1.5489423258       -4.2773472181
O            -0.5576857374        3.0890350864        2.1679914625
H            -1.4685623128        2.8225402273        1.9575518418
H            -0.1209457726        2.2596367726        2.4543160582
O            -0.6305655869        3.2190534618       -2.0926616559
H            -0.1335635022        2.6346033401       -2.6842957630
H            -0.0317636529        3.4463597992       -1.3558742462
O             0.8716281151        3.8203559915        0.1256495109
H             0.3021608935        3.5264655379        0.8979167460
H             0.9836878282        4.7649035123        0.2349854403
O            -3.2421306741       -0.4648926688        2.2413397965
H            -2.4873584831       -0.7758837570        2.7880593692
H            -3.2789110086       -1.0574537885        1.4740772057
O            -2.0595520989        1.3663074056       -0.8774531601
H            -1.6476759036        2.1276649380       -1.3524715543
H            -2.4709575591        1.7160668570       -0.0658691436
O            -1.0248115242       -1.2704979810        3.5381345007
H            -0.4618589045       -0.4953955985        3.3591650505
H            -0.5326634272       -2.0199433414        3.1736619575
O             0.6514445557       -3.1418445220        2.2737863088
H             1.4771692245       -2.6717590731        1.9816406500
H             0.9370433681       -3.9797537268        2.6370950677
O            -0.6652805604       -2.6219113409       -0.0131500521
H            -1.6338388743       -2.5928098908        0.0932561336
H            -0.2816329102       -2.9112406755        0.8363172016
O             2.9404234859       -2.0919664485       -1.4207698714
H             2.0848116185       -2.4641502495       -1.7788231848
H             3.6414392975       -2.6476385576       -1.7601296535
O             2.1140261253        0.4723735886       -1.5012424354
H             2.5565517765       -0.3930415313       -1.5478780358
H             1.3341078724        0.3180030941       -0.9054520499
O            -0.7291566268       -0.9664616504       -3.7091422150
H            -1.0127955442       -1.0526061240       -4.6198597363
H            -0.2541834775       -0.1113537482       -3.6417966332
O            -3.3209381876       -2.1863049978        0.0283165785
H            -3.2746275267       -1.6499281511       -0.8120056155
H            -4.0853187670       -2.7558108081       -0.0544968839
O             3.2740521609        0.6331070711        2.1558883479
H             3.9853916779        0.8826903136        2.7446378389
H             3.2741112893        1.2990690451        1.4116550536
O            -3.0347137217        2.0342860458        1.5455110617
H            -3.8671468374        2.4345551997        1.7950249043
H            -3.0845031302        1.0829533647        1.8547802706
O             2.8413634946       -1.9962990596        1.3712974929
H             3.0019550946       -1.0784210855        1.6479281452
H             2.8663645875       -2.0010745383        0.3997952330
O             0.0143616700       -0.0322292662       -0.0120286215
H            -0.7730082328        0.4689721602       -0.3344348169
H            -0.2258818613       -0.9839107235       -0.0480532261
O             0.6569623594       -2.9615034214       -2.3410713122
H             0.2055334129       -2.2951812076       -2.8842020529
H             0.1420658373       -2.9947113269       -1.5131399277
O             3.1753776870        2.3275626556        0.1664211066
H             2.3980174205        2.9137463127        0.2271951185
H             2.9426745158        1.6977594528       -0.5408364250
O             0.5724906955        0.6803735895        2.5121105127
H             1.5418672359        0.6553376123        2.5624673659
H             0.3596023090        0.4093860532        1.5915006315
O            -3.0623245811       -0.7614172957       -2.1522848175
H            -2.8389384764        0.0965128384       -1.7389053014
H            -2.2745375380       -0.9894980323       -2.6700655111
    63
 Energy=    -106.839321306850
O             0.7843206035        1.2820791934       -3.5885891014
H             1.3398430733        0.9969611001       -2.8112912398
H             1.3934053426        1.5489237546       -4.2772026608
O            -0.5577004678        3.0889267007        2.1679224823
H            -1.4685803705        2.8223992500        1.9575264517
H            -0.1208770981        2.2595685999        2.4542469606
O            -0.6305746396        3.2190882098       -2.0925509516
H            -0.1336297223        2.6346265018       -2.6842235987
H            -0.0316968412        3.4463438044       -1.3558150006
O             0.8716272366        3.8204616108        0.1256652771
H             0.3021728908        3.5264581582        0.8978969099
H             0.9834697138        4.7650314683        0.2350304938
O            -3.2425063191       -0.4649453792        2.2414385810
H            -2.4876825724       -0.7758706723        2.7881144115
H            -3.2792005487       -1.0574526061        1.4741290726
O            -2.0593785346        1.3662475798       -0.8773677121
H            -1.6474983374        2.1276270442       -1.3523468329
H            -2.4708472201        1.7160296878       -0.0658241596
O            -1.0250122250       -1.2703267429        3.5381424402
H            -0.4620234158       -0.4952598101        3.3591660146
H            -0.5328561464       -2.0198031623        3.1737473687
O             0.6513901226       -3.1416532998        2.2738114500
H             1.4771049042       -2.6715710989        1.9816428163
H             0.9370059140       -3.9796058354        2.6370153891
O            -0.6653198973       -2.6220818375       -0.0131978905
H            -1.6338726735       -2.5929292963        0.0932160148
H            -0.2816631536       -2.9113063882        0.8363020425
O             2.9405838530       -2.0920457620       -1.4208905797
H             2.0849473266       -2.4641868456       -1.7789290855
H             3.6415420657       -2.6478733025       -1.7601127005
O             2.1141059778        0.4722949340       -1.5011922893
H             2.5566906034       -0.3930729186       -1.5479505261
H             1.3342204876        0.3178155373       -0.9053822362
O            -0.7292370064       -0.9664717202       -3.7091498855
H            -1.0128083210       -1.0526490585       -4.6198849420
H            -0.2542534265       -0.1113627381       -3.6417927767
O            -3.3210424930       -2.1862750747        0.0283246656
H            -3.2746706578       -1.6498585729       -0.8119627952
H            -4.0854355792       -2.7557510268       -0.0545866553
O             3.2741199059        0.6331910249        2.1558122671
H             3.9855988656        0.8826544974        2.7444513570
H             3.2741647429        1.2991697226        1.4115971459
O            -3.0347260894        2.0341886758        1.5455341229
H            -3.8670914475        2.4345893672        1.7950685595
H            -3.0846535356        1.0828690688        1.8548299553
O             2.8413311233       -1.9961789516        1.3711996950
H             3.0019359774       -1.0782926257        1.6477990280
H             2.8664599290       -2.0010495309        0.3997054063
O             0.0144750632       -0.0324082201       -0.0119990503
H            -0.7728923843        0.4688280774       -0.3343616364
H            -0.2257692432       -0.9840897106       -0.0480867479
O             0.6570755759       -2.9614613565       -2.3411289559
H             0.2056062195       -2.2951463701       -2.8842338535
H             0.1421932697       -2.9947087975       -1.5131961079
O             3.1753657875        2.3276249189        0.1663159362
H             2.3980633909        2.9138778086        0.2270723140
H             2.9426289389        1.6978148338       -0.5409249572
O             0.5725745237        0.6803257289        2.5121176706
H             1.5419472862        0.6553428042        2.5625088726
H             0.3597427436        0.4093100101        1.5915079168
O            -3.0623264571       -0.7613276518       -2.1522754306
H            -2.8388246866        0.0965465005       -1.7388375338
H            -2.2745508478       -0.9894422079       -2.6700617148
    63
 Energy=    -106.839321314000
O             0.7842650323        1.2821072713       -3.5884337854
H             1.3397744536        0.9968999551       -2.8111596593
H             1.3934116667        1.5490177688       -4.2769641123
O            -0.5576970887        3.0888360427        2.1678517938
H            -1.4685760418        2.8222662112        1.9575012502
H            -0.1208665123        2.2594779383        2.4541487532
O            -0.6306297222        3.2190455913       -2.0925449022
H            -0.1336818419        2.6345601586       -2.6842019736
H            -0.0317324401        3.4464306936       -1.3558639424
O             0.8716085565        3.8205475326        0.1256316707
H             0.3022043767        3.5264596360        0.8978672863
H             0.9832445317        4.7651480028        0.2349570704
O            -3.2428572113       -0.4649929566        2.2415198790
H            -2.4880385967       -0.7759103896        2.7882125581
H            -3.2794711827       -1.0574319353        1.4741512182
O            -2.0592028967        1.3661551920       -0.8772559174
H            -1.6473807693        2.1275627666       -1.3522604309
H            -2.4707562488        1.7158738621       -0.0657379321
O            -1.0252275497       -1.2701683262        3.5380940596
H            -0.4622202643       -0.4951048889        3.3591639547
H            -0.5330393661       -2.0196483180        3.1737586847
O             0.6513062172       -3.1415161500        2.2737928219
H             1.4769930550       -2.6714269909        1.9815785805
H             0.9369527919       -3.9794526315        2.6370100195
O            -0.6653866668       -2.6222485275       -0.0132808110
H            -1.6339323148       -2.5930168364        0.0931756705
H            -0.2817186541       -2.9113788119        0.8362484993
O             2.9407085160       -2.0921732378       -1.4209642127
H             2.0850593104       -2.4642269532       -1.7790721779
H             3.6416552599       -2.6480690560       -1.7600969941
O             2.1142072008        0.4721480381       -1.5011866822
H             2.5567989624       -0.3932189133       -1.5479617755
H             1.3343726945        0.3176608577       -0.9053169251
O            -0.7291944181       -0.9664541235       -3.7090992391
H            -1.0128227415       -1.0526845766       -4.6198108152
H            -0.2542612852       -0.1113155143       -3.6417697624
O            -3.3210620734       -2.1862507138        0.0283067329
H            -3.2746444359       -1.6497944505       -0.8119616155
H            -4.0854995532       -2.7556614627       -0.0546363435
O             3.2742131862        0.6332771105        2.1557431352
H             3.9858379518        0.8826134332        2.7442574678
H             3.2741840804        1.2992863745        1.4115628289
O            -3.0347256532        2.0340724749        1.5456257025
H            -3.8670500309        2.4345879058        1.7951297443
H            -3.0847992271        1.0827560652        1.8549205058
O             2.8412915951       -1.9960504614        1.3711233393
H             3.0019090329       -1.0781489382        1.6476555425
H             2.8665296168       -2.0009863482        0.3996280158
O             0.0146281571       -0.0326156500       -0.0119660975
H            -0.7727082983        0.4686857277       -0.3342989844
H            -0.2256721319       -0.9842789979       -0.0481542735
O             0.6571183161       -2.9613482795       -2.3411850685
H             0.2056550802       -2.2949853819       -2.8842402943
H             0.1421984573       -2.9946914088       -1.5132819349
O             3.1754279614        2.3277475142        0.1662249851
H             2.3981259938        2.9140064441        0.2269317836
H             2.9426868008        1.6978393164       -0.5409270911
O             0.5726548629        0.6803217256        2.5121242353
H             1.5420213999        0.6553940978        2.5625706289
H             0.3598729112        0.4091633481        1.5915422256
O            -3.0622590821       -0.7612471588       -2.1521637379
H            -2.8387969172        0.0966417278       -1.7387266866
H            -2.2744957095       -0.9893347934       -2.6699769893
    63
 Energy=    -106.839321318050
O             0.7841858211        1.2819837180       -3.5884023427
H             1.3397332678        0.9967726932       -2.8111537327
H             1.3932977531        1.5488126710       -4.2769970270
O            -0.5576992515        3.0887867940        2.1679413007
H            -1.4685756743        2.8222396700        1.9575717044
H            -0.1208641596        2.2594150027        2.4542009134
O            -0.6305565309        3.2190745480       -2.0925277928
H            -0.1335972166        2.6345441539       -2.6841247536
H            -0.0316911838        3.4464586688       -1.3558207650
O             0.8715874154        3.8206014400        0.1257262684
H             0.3022321115        3.5264765789        0.8979827047
H             0.9831947914        4.7652070162        0.2350479088
O            -3.2430584406       -0.4650470083        2.2415314209
H            -2.4882289632       -0.7759270670        2.7882278860
H            -3.2795764088       -1.0574458616        1.4741235341
O            -2.0590890869        1.3661148733       -0.8771854106
H            -1.6473222493        2.1275417411       -1.3521902088
H            -2.4706445876        1.7157943341       -0.0656440980
O            -1.0253541169       -1.2701178564        3.5380314492
H            -0.4623617175       -0.4950405036        3.3591212654
H            -0.5331584739       -2.0195684154        3.1736442116
O             0.6512563020       -3.1414287401        2.2737381421
H             1.4769288427       -2.6713299074        1.9814947120
H             0.9369315188       -3.9793182132        2.6370461992
O            -0.6654162982       -2.6222942311       -0.0133395462
H            -1.6339657223       -2.5930258634        0.0931067653
H            -0.2817722798       -2.9114033422        0.8362064737
O             2.9407701804       -2.0921490390       -1.4210254487
H             2.0851225820       -2.4642455624       -1.7790945185
H             3.6417275733       -2.6480320769       -1.7601496876
O             2.1142218726        0.4721674840       -1.5011628388
H             2.5568462320       -0.3931791872       -1.5479638262
H             1.3343943459        0.3176292042       -0.9052887964
O            -0.7292427470       -0.9665268248       -3.7090577914
H            -1.0128812847       -1.0528641121       -4.6197563652
H            -0.2542732801       -0.1113932988       -3.6418174716
O            -3.3210323161       -2.1861881473        0.0283051974
H            -3.2746054791       -1.6497247438       -0.8119623039
H            -4.0854820051       -2.7555830921       -0.0546251507
O             3.2742682283        0.6333695111        2.1557067213
H             3.9859962776        0.8826190705        2.7441347804
H             3.2742434223        1.2993685778        1.4115172825
O            -3.0347361003        2.0340132091        1.5456343143
H            -3.8670357928        2.4346013798        1.7950999855
H            -3.0848889107        1.0827030394        1.8549470781
O             2.8412083449       -1.9959512662        1.3710626246
H             3.0018958562       -1.0780629482        1.6475998153
H             2.8664551366       -2.0009026670        0.3995685412
O             0.0147007196       -0.0327263536       -0.0119570100
H            -0.7725985534        0.4686292796       -0.3342881586
H            -0.2256573556       -0.9843781345       -0.0481620070
O             0.6571675224       -2.9613339523       -2.3411994705
H             0.2056854954       -2.2949669739       -2.8842371747
H             0.1422399781       -2.9947053414       -1.5133030279
O             3.1754760758        2.3278060764        0.1661753189
H             2.3981741250        2.9140534202        0.2269250401
H             2.9427190916        1.6978960250       -0.5409731614
O             0.5726828783        0.6802694185        2.5121321023
H             1.5420486694        0.6554334705        2.5625898370
H             0.3599302992        0.4090611362        1.5915578456
O            -3.0622486803       -0.7611834071       -2.1521634382
H            -2.8387488779        0.0966876793       -1.7387140002
H            -2.2744478827       -0.9893301442       -2.6699025391
    63
 Energy=    -106.839321318000
O             0.7841873916        1.2819628843       -3.5883875055
H             1.3397512126        0.9967665432       -2.8111417803
H             1.3932793163        1.5487868959       -4.2770010077
O            -0.5576942305        3.0887802750        2.1679554599
H            -1.4685725325        2.8222358637        1.9575871982
H            -0.1208599884        2.2594056460        2.4542060228
O            -0.6305568626        3.2190697957       -2.0925263125
H            -0.1336032999        2.6345317379       -2.6841198391
H            -0.0316910437        3.4464542705       -1.3558210451
O             0.8715833836        3.8206034361        0.1257266069
H             0.3022324160        3.5264839054        0.8979867293
H             0.9831879067        4.7652099233        0.2350515074
O            -3.2430980609       -0.4650589041        2.2415325107
H            -2.4882674331       -0.7759331451        2.7882307178
H            -3.2795998028       -1.0574558021        1.4741214017
O            -2.0590605730        1.3661109090       -0.8771608580
H            -1.6473102347        2.1275423743       -1.3521705360
H            -2.4706092668        1.7157860138       -0.0656125620
O            -1.0253836088       -1.2701170477        3.5380071800
H            -0.4623934527       -0.4950349160        3.3591146549
H            -0.5331855919       -2.0195574834        3.1736014030
O             0.6512375824       -3.1414103540        2.2737194262
H             1.4769093813       -2.6713060081        1.9814801468
H             0.9369268021       -3.9792797932        2.6370662660
O            -0.6654235944       -2.6223099016       -0.0133540647
H            -1.6339737921       -2.5930267426        0.0930876896
H            -0.2817849748       -2.9114172791        0.8361951306
O             2.9407773001       -2.0921507874       -1.4210298635
H             2.0851288569       -2.4642552611       -1.7790906635
H             3.6417359011       -2.6480263721       -1.7601702571
O             2.1142290798        0.4721704992       -1.5011550834
H             2.5568687815       -0.3931669413       -1.5479586759
H             1.3344079604        0.3176179865       -0.9052750341
O            -0.7292492613       -0.9665329763       -3.7090480857
H            -1.0128945445       -1.0528908678       -4.6197424028
H            -0.2542775925       -0.1113984259       -3.6418281104
O            -3.3210224534       -2.1861732224        0.0283018882
H            -3.2746107943       -1.6496977529       -0.8119612513
H            -4.0854711078       -2.7555663453       -0.0546166516
O             3.2742827872        0.6333894187        2.1557019116
H             3.9860355986        0.8826200866        2.7441079280
H             3.2742588176        1.2993861903        1.4115111629
O            -3.0347375782        2.0339979634        1.5456522312
H            -3.8670366673        2.4345993388        1.7950933469
H            -3.0849181890        1.0826848685        1.8549511360
O             2.8411856881       -1.9959286753        1.3710511486
H             3.0018835729       -1.0780421801        1.6475896355
H             2.8664240249       -2.0008821945        0.3995574749
O             0.0147190506       -0.0327459950       -0.0119496929
H            -0.7725736667        0.4686175591       -0.3342795224
H            -0.2256477339       -0.9843967974       -0.0481585017
O             0.6571805339       -2.9613367992       -2.3412053890
H             0.2056973929       -2.2949658572       -2.8842354848
H             0.1422567252       -2.9947135011       -1.5133055395
O             3.1754863964        2.3278232687        0.1661567043
H             2.3981755690        2.9140552824        0.2269195051
H             2.9427277460        1.6979110120       -0.5409897978
O             0.5726881963        0.6802600340        2.5121328787
H             1.5420533048        0.6554378160        2.5625950309
H             0.3599440415        0.4090391139        1.5915592655
O            -3.0622419422       -0.7611741892       -2.1521508631
H            -2.8387407410        0.0966965190       -1.7387053867
H            -2.2744409997       -0.9893273136       -2.6698900504
    63
 Energy=    -106.839321322000
O             0.7842419666        1.2819591686       -3.5883580159
H             1.3398208436        0.9967912479       -2.8111181506
H             1.3933225518        1.5487645969       -4.2769910251
O            -0.5576584149        3.0887613199        2.1679348995
H            -1.4685569824        2.8222270805        1.9576565007
H            -0.1208115473        2.2593892514        2.4541837989
O            -0.6306318637        3.2190036772       -2.0925431216
H            -0.1336947131        2.6344584949       -2.6841436687
H            -0.0317361265        3.4464207120       -1.3558704678
O             0.8715557939        3.8205707277        0.1256633954
H             0.3022046229        3.5264757180        0.8979328507
H             0.9832110195        4.7651715100        0.2349736682
O            -3.2432428638       -0.4651089439        2.2415553075
H            -2.4883745297       -0.7759490762        2.7882226747
H            -3.2796947773       -1.0574720942        1.4741156020
O            -2.0589890809        1.3660834412       -0.8770095932
H            -1.6472779209        2.1275146041       -1.3520575752
H            -2.4704986124        1.7157669525       -0.0654425623
O            -1.0254765988       -1.2701596929        3.5378910044
H            -0.4624758711       -0.4950678999        3.3590952584
H            -0.5332884732       -2.0195643750        3.1733861832
O             0.6511468726       -3.1413618100        2.2736946070
H             1.4767915412       -2.6712188185        1.9814435848
H             0.9368923755       -3.9791246149        2.6372393660
O            -0.6654485647       -2.6223737880       -0.0134519019
H            -1.6339968857       -2.5929980554        0.0929929526
H            -0.2818371382       -2.9115152281        0.8360952567
O             2.9407755357       -2.0921584224       -1.4210193155
H             2.0851119421       -2.4642336379       -1.7790819764
H             3.6417215863       -2.6479953074       -1.7602431830
O             2.1143440862        0.4721431187       -1.5011410649
H             2.5569629894       -0.3932100341       -1.5479455567
H             1.3345313895        0.3175983371       -0.9052557594
O            -0.7292325562       -0.9665440229       -3.7090031903
H            -1.0129166408       -1.0528847415       -4.6196888579
H            -0.2542851756       -0.1113988628       -3.6417780871
O            -3.3210257350       -2.1861095474        0.0283187989
H            -3.2746175561       -1.6496402883       -0.8119501644
H            -4.0854453007       -2.7555434906       -0.0546006415
O             3.2743491330        0.6334580718        2.1556631688
H             3.9861791390        0.8826279555        2.7440012313
H             3.2742968281        1.2994659027        1.4114858476
O            -3.0347365683        2.0339479966        1.5457605872
H            -3.8670732462        2.4345603117        1.7950643215
H            -3.0849975593        1.0826182404        1.8550160338
O             2.8410524880       -1.9958195411        1.3710368759
H             3.0017775160       -1.0779305560        1.6475509586
H             2.8663355016       -2.0008102558        0.3995448572
O             0.0148081990       -0.0328167072       -0.0119316703
H            -0.7724985939        0.4685640918       -0.3342075426
H            -0.2255694714       -0.9844623658       -0.0481609570
O             0.6572200764       -2.9613704210       -2.3412153918
H             0.2057616871       -2.2949564740       -2.8842192008
H             0.1422623626       -2.9947957815       -1.5133415807
O             3.1755038324        2.3279038431        0.1661195715
H             2.3981549177        2.9140921359        0.2268695313
H             2.9427904847        1.6979688353       -0.5410199383
O             0.5727157527        0.6802393871        2.5121504369
H             1.5420802594        0.6554398089        2.5626302610
H             0.3599929850        0.4090050731        1.5915768442
O            -3.0622216212       -0.7610996769       -2.1521234287
H            -2.8386817817        0.0967343426       -1.7386090335
H            -2.2744124063       -0.9892738226       -2.6698341338
    63
 Energy=    -106.839321321930
O             0.7842554772        1.2819378437       -3.5883735947
H             1.3398343782        0.9967760432       -2.8111340943
H             1.3933364795        1.5487444972       -4.2770048590
O            -0.5576514498        3.0887611250        2.1679362718
H            -1.4685555559        2.8222255635        1.9576784081
H            -0.1207969052        2.2593902026        2.4541770794
O            -0.6306284154        3.2189783968       -2.0925350079
H            -0.1336906224        2.6344323931       -2.6841347094
H            -0.0317320968        3.4464049790       -1.3558678163
O             0.8715497933        3.8205714260        0.1256520554
H             0.3022089676        3.5264891739        0.8979321667
H             0.9832344422        4.7651683249        0.2349759487
O            -3.2432844102       -0.4651167678        2.2415668419
H            -2.4884052181       -0.7759552894        2.7882176562
H            -3.2797321627       -1.0574685094        1.4741155555
O            -2.0589691532        1.3660662567       -0.8769535016
H            -1.6472678824        2.1274934658       -1.3520156500
H            -2.4704806252        1.7157559502       -0.0653907337
O            -1.0254996370       -1.2701702930        3.5378566591
H            -0.4624899308       -0.4950809655        3.3590783955
H            -0.5333185176       -2.0195703839        3.1733289088
O             0.6511199432       -3.1413560610        2.2736841714
H             1.4767584047       -2.6711996717        1.9814375841
H             0.9368874175       -3.9790837190        2.6372862796
O            -0.6654567399       -2.6223830692       -0.0134700195
H            -1.6340087573       -2.5929852716        0.0929714453
H            -0.2818517680       -2.9115385321        0.8360695946
O             2.9407749603       -2.0921392414       -1.4210266968
H             2.0851087970       -2.4642210230       -1.7790755539
H             3.6417209683       -2.6479756554       -1.7602538353
O             2.1143669208        0.4721501669       -1.5011568049
H             2.5569919009       -0.3932006157       -1.5479499425
H             1.3345630555        0.3176046684       -0.9052618193
O            -0.7292409311       -0.9665626854       -3.7090036097
H            -1.0129196507       -1.0528928709       -4.6196909913
H            -0.2542832621       -0.1114234608       -3.6417720009
O            -3.3210269827       -2.1861000971        0.0283159831
H            -3.2746226864       -1.6496254617       -0.8119493612
H            -4.0854428523       -2.7555414779       -0.0545994837
O             3.2743545330        0.6334783257        2.1556501369
H             3.9862110618        0.8826301938        2.7439653612
H             3.2743028152        1.2994859783        1.4114729391
O            -3.0347389065        2.0339367407        1.5457946754
H            -3.8670823453        2.4345541563        1.7950645588
H            -3.0850144144        1.0826045175        1.8550492613
O             2.8410027889       -1.9957856594        1.3710320059
H             3.0017488543       -1.0778973432        1.6475416711
H             2.8663167048       -2.0007940454        0.3995434317
O             0.0148370111       -0.0328360323       -0.0119290147
H            -0.7724794949        0.4685453856       -0.3341869906
H            -0.2255419861       -0.9844796560       -0.0481679424
O             0.6572334325       -2.9613800030       -2.3412175269
H             0.2057754657       -2.2949709358       -2.8842204143
H             0.1422650592       -2.9948234934       -1.5133479203
O             3.1754994366        2.3279291774        0.1661223891
H             2.3981439987        2.9141113641        0.2268667827
H             2.9427988278        1.6979987150       -0.5410239391
O             0.5727249139        0.6802374459        2.5121576329
H             1.5420847698        0.6554412542        2.5626369666
H             0.3600043481        0.4090049990        1.5915801858
O            -3.0622157421       -0.7610791188       -2.1521143844
H            -2.8386594099        0.0967459313       -1.7385872443
H            -2.2744163139       -0.9892596498       -2.6698340622
    63
 Energy=    -106.839321322410
O             0.7842729894        1.2818907437       -3.5884281733
H             1.3398488690        0.9967439766       -2.8111821590
H             1.3933538105        1.5487492304       -4.2770397104
O            -0.5576499952        3.0887697497        2.1679517305
H            -1.4685558749        2.8222238900        1.9576977092
H            -0.1207858421        2.2593971219        2.4541719317
O            -0.6305962325        3.2189256668       -2.0924963595
H            -0.1336363634        2.6344026246       -2.6840985211
H            -0.0317023456        3.4463765003       -1.3558345985
O             0.8715662536        3.8206000293        0.1256843297
H             0.3022134197        3.5265006713        0.8979519981
H             0.9832671999        4.7651955300        0.2350050889
O            -3.2433028933       -0.4651108719        2.2415805914
H            -2.4884179896       -0.7759705548        2.7882171120
H            -3.2797710431       -1.0574499156        1.4741269710
O            -2.0589664902        1.3660397300       -0.8769060172
H            -1.6472566521        2.1274641735       -1.3519628073
H            -2.4704828024        1.7157395357       -0.0653482859
O            -1.0255027806       -1.2701713869        3.5378298311
H            -0.4624766642       -0.4950937834        3.3590461362
H            -0.5333432756       -2.0195872817        3.1733014230
O             0.6510977658       -3.1413780058        2.2736753084
H             1.4767213005       -2.6711892440        1.9814380437
H             0.9368772712       -3.9790655016        2.6373607910
O            -0.6654686647       -2.6223849230       -0.0134850228
H            -1.6340099022       -2.5929782015        0.0929759477
H            -0.2818763763       -2.9115581073        0.8360576189
O             2.9407673128       -2.0921104549       -1.4210243165
H             2.0851065787       -2.4642112845       -1.7790672995
H             3.6417100550       -2.6479521397       -1.7602530428
O             2.1143772940        0.4721876159       -1.5011827079
H             2.5570171360       -0.3931543433       -1.5479845052
H             1.3345672861        0.3176256338       -0.9052967247
O            -0.7292504253       -0.9665880070       -3.7090174822
H            -1.0129113328       -1.0529188498       -4.6197096622
H            -0.2542672051       -0.1114602894       -3.6417917969
O            -3.3210312039       -2.1861087640        0.0283056893
H            -3.2746429260       -1.6496202959       -0.8119529000
H            -4.0854506907       -2.7555468831       -0.0546100126
O             3.2743434856        0.6334958039        2.1556352814
H             3.9862225807        0.8826368221        2.7439298602
H             3.2742901267        1.2995030667        1.4114578952
O            -3.0347380883        2.0339393881        1.5458294653
H            -3.8670963504        2.4345437548        1.7950672126
H            -3.0850156530        1.0826127529        1.8550948518
O             2.8409623021       -1.9957532790        1.3710373556
H             3.0017101061       -1.0778613774        1.6475446068
H             2.8662968902       -2.0007857533        0.3995525408
O             0.0148718174       -0.0328463439       -0.0119380101
H            -0.7724587318        0.4685290511       -0.3341777869
H            -0.2254973291       -0.9844921854       -0.0481892977
O             0.6572388297       -2.9613986074       -2.3412259759
H             0.2057620093       -2.2950037887       -2.8842313385
H             0.1422720881       -2.9948422619       -1.5133560076
O             3.1754788431        2.3279534161        0.1661199536
H             2.3981256531        2.9141377795        0.2268765394
H             2.9427842300        1.6980355038       -0.5410352532
O             0.5727256843        0.6802421387        2.5121438112
H             1.5420864103        0.6554478059        2.5626317430
H             0.3600199085        0.4090101252        1.5915660573
O            -3.0622140786       -0.7610698587       -2.1520994364
H            -2.8386332539        0.0967495350       -1.7385772692
H            -2.2744349518       -0.9892492222       -2.6698534684
    63
 Energy=    -106.839321323050
O             0.7842778682        1.2818771196       -3.5884405657
H             1.3398560164        0.9967276387       -2.8111930068
H             1.3933592839        1.5487372729       -4.2770512189
O            -0.5576466400        3.0887667370        2.1679559960
H            -1.4685513109        2.8222210275        1.9577108430
H            -0.1207809009        2.2593931737        2.4541714739
O            -0.6305872194        3.2189052163       -2.0924797419
H            -0.1336235187        2.6343901978       -2.6840863194
H            -0.0316943842        3.4463640134       -1.3558199996
O             0.8715716022        3.8206112021        0.1256967653
H             0.3022148731        3.5265022067        0.8979585912
H             0.9832584862        4.7652078317        0.2350153704
O            -3.2433249079       -0.4651101121        2.2415943831
H            -2.4884378225       -0.7759791708        2.7882206246
H            -3.2797991603       -1.0574392725        1.4741273182
O            -2.0589593412        1.3660272893       -0.8768767723
H            -1.6472453012        2.1274489425       -1.3519354086
H            -2.4704808014        1.7157229705       -0.0653203127
O            -1.0255128443       -1.2701668038        3.5378141614
H            -0.4624792124       -0.4950949705        3.3590287893
H            -0.5333635816       -2.0195895142        3.1732878474
O             0.6510772151       -3.1413850547        2.2736710279
H             1.4766946011       -2.6711841366        1.9814358466
H             0.9368706966       -3.9790449909        2.6374109554
O            -0.6654742453       -2.6223953895       -0.0134970955
H            -1.6340190605       -2.5929792302        0.0929677868
H            -0.2818866971       -2.9115719190        0.8360401954
O             2.9407662956       -2.0921099242       -1.4210246774
H             2.0851072705       -2.4642096121       -1.7790720163
H             3.6417086576       -2.6479467287       -1.7602587346
O             2.1143881824        0.4722044108       -1.5011912386
H             2.5570287783       -0.3931376071       -1.5480041490
H             1.3345765888        0.3176283444       -0.9053098288
O            -0.7292479003       -0.9665924494       -3.7090140499
H            -1.0129068506       -1.0529333686       -4.6197052820
H            -0.2542566319       -0.1114707296       -3.6417959121
O            -3.3210396807       -2.1861070503        0.0283024030
H            -3.2746487883       -1.6496168553       -0.8119538284
H            -4.0854576669       -2.7555452808       -0.0546241244
O             3.2743461311        0.6335134215        2.1556286537
H             3.9862434359        0.8826374016        2.7439074123
H             3.2742821449        1.2995213458        1.4114513545
O            -3.0347375383        2.0339386052        1.5458510416
H            -3.8671068648        2.4345369577        1.7950635480
H            -3.0850189033        1.0826137982        1.8551211441
O             2.8409424586       -1.9957313852        1.3710437887
H             3.0016828544       -1.0778357713        1.6475369592
H             2.8662875669       -2.0007693693        0.3995572732
O             0.0148994701       -0.0328580088       -0.0119461478
H            -0.7724353779        0.4685149698       -0.3341688842
H            -0.2254683592       -0.9845049730       -0.0482028244
O             0.6572422666       -2.9614050320       -2.3412376189
H             0.2057573674       -2.2950130583       -2.8842394136
H             0.1422768555       -2.9948512481       -1.5133675015
O             3.1754820733        2.3279695698        0.1661069965
H             2.3981262752        2.9141510633        0.2268699700
H             2.9427824483        1.6980488508       -0.5410447517
O             0.5727299652        0.6802409092        2.5121378243
H             1.5420925364        0.6554574767        2.5626355411
H             0.3600356641        0.4090031906        1.5915579670
O            -3.0622108551       -0.7610585676       -2.1520948427
H            -2.8386189886        0.0967546090       -1.7385624092
H            -2.2744334722       -0.9892425794       -2.6698516962
    63
 Energy=    -106.839321322100
O             0.7138586142        0.9244280444       -3.8927474852
H             1.1343434458        0.9224691401       -3.0032392591
H             1.4334332812        0.8507732839       -4.5250483115
O            -0.5565544864        3.1002186380        2.3376946929
H            -1.4339353023        2.8505227062        1.9988051440
H            -0.1304201050        2.2437657190        2.5537112495
O            -0.2965931796        3.2298427167       -1.7545312639
H             0.2901881259        3.2994673375       -2.5230901982
H             0.2109744193        3.5209848657       -0.9821203730
O             1.0074343807        4.0501693279        0.5001250408
H             0.4073375484        3.6816092360        1.2185840959
H             1.0701740885        4.9879776049        0.6723977838
O            -3.1756273886       -0.4075214547        2.1610854832
H            -2.4478400476       -0.7344480425        2.7342860011
H            -3.2264107534       -1.0261284285        1.4148860245
O            -2.0659546797        1.3340610563       -1.0114689158
H            -1.5038197043        2.0380916581       -1.3927522871
H            -2.4520546605        1.7028419203       -0.1992158098
O            -1.0311417803       -1.2742177470        3.5437246111
H            -0.4630789102       -0.5004645765        3.3791501213
H            -0.5390816551       -2.0206546918        3.1714187538
O             0.6642459631       -3.1280415481        2.2764032397
H             1.4675382969       -2.6400845844        1.9512548820
H             0.9878994943       -3.9423362131        2.6603029936
O            -0.6702333538       -2.7314442738       -0.0237252902
H            -1.6378633639       -2.6889401686        0.0814629442
H            -0.2871898874       -2.9877575908        0.8364512990
O             2.8847639942       -1.8729541421       -1.4694059973
H             2.0675293571       -2.3407011931       -1.8061415665
H             3.6325404052       -2.3707079992       -1.7974198500
O             1.8901692411        0.6415390252       -1.5292791206
H             2.4201165632       -0.1732187763       -1.5505039424
H             1.1445933170        0.4266596463       -0.9131775291
O            -0.8361854199       -1.2355669488       -3.7682848844
H            -1.1429441036       -1.3857432505       -4.6614318998
H            -0.3374462165       -0.3820580577       -3.7688206913
O            -3.3143759437       -2.2135418273        0.0244293251
H            -3.2792837901       -1.6998161131       -0.8314527160
H            -4.1033299596       -2.7526567994       -0.0176200627
O             3.2628407984        0.6633410095        2.1220779359
H             3.9719682256        0.9238334432        2.7080462988
H             3.2617029324        1.3218383033        1.3693040951
O            -2.9550474549        2.0776807864        1.4214833578
H            -3.7880803701        2.4786760849        1.6658702862
H            -3.0039994673        1.1316523528        1.7469160483
O             2.8029566481       -1.9412672651        1.3111598373
H             2.9789872500       -1.0373591206        1.6203292594
H             2.7930727371       -1.9031978585        0.3385296562
O            -0.0892698829       -0.1123065411        0.0326631157
H            -0.8721093919        0.3589913840       -0.3328030716
H            -0.2818162456       -1.0723216328       -0.0383143033
O             0.7072466623       -3.0173716824       -2.3322675290
H             0.1771262917       -2.4301060849       -2.8979171933
H             0.1988939037       -3.0754695417       -1.5032386566
O             3.1422665962        2.3652132951        0.1499415350
H             2.4517521015        3.0164130768        0.3436225976
H             2.7606578131        1.7905199239       -0.5489303698
O             0.5619977704        0.6737263907        2.5029138851
H             1.5326034788        0.6561169268        2.5214263292
H             0.3136256596        0.3840593801        1.5969089192
O            -3.1127613616       -0.8487248139       -2.1948733195
H            -2.8753313312        0.0262848886       -1.8361311761
H            -2.3385481075       -1.1158826030       -2.7179042882
    63
 Energy=    -106.839321322090
O             0.7088421532        0.9395006769       -3.8909881236
H             1.1203315846        0.9235156998       -2.9971772001
H             1.4279427930        0.8430882335       -4.5158661304
O            -0.5572753823        3.1004954764        2.3358308544
H            -1.4356450522        2.8487586461        2.0012955796
H            -0.1280913577        2.2456748472        2.5524027622
O            -0.2708090760        3.1930422086       -1.7536310884
H             0.2758913178        3.3394262147       -2.5338117324
H             0.2375371972        3.4943102556       -0.9839330088
O             1.0059404792        4.0504180955        0.5016566968
H             0.4033718469        3.6827322265        1.2157029334
H             1.0673393585        4.9921633087        0.6744705625
O            -3.1743544746       -0.4056161011        2.1593527466
H            -2.4477647584       -0.7332854347        2.7336918472
H            -3.2264841198       -1.0255166961        1.4145300685
O            -2.0610717664        1.3334276763       -1.0133036558
H            -1.4950154324        2.0289169418       -1.3970998425
H            -2.4483208697        1.7107721915       -0.2012223930
O            -1.0314779775       -1.2731503062        3.5426652925
H            -0.4619792409       -0.4999618383        3.3793438183
H            -0.5388808146       -2.0195613495        3.1716295829
O             0.6648377736       -3.1272638284        2.2773159571
H             1.4682009756       -2.6403128010        1.9505516508
H             0.9880069496       -3.9424226983        2.6600505486
O            -0.6716545060       -2.7337765153       -0.0233303215
H            -1.6392317138       -2.6905949962        0.0820528093
H            -0.2886723304       -2.9887986045        0.8371384322
O             2.8843281579       -1.8749568682       -1.4659467441
H             2.0671767315       -2.3372775527       -1.8100939008
H             3.6338704306       -2.3721488254       -1.7910592518
O             1.8879422242        0.6456005728       -1.5257093081
H             2.4131743222       -0.1727981121       -1.5537784271
H             1.1425654178        0.4279045080       -0.9106287342
O            -0.8366799543       -1.2398988702       -3.7612040696
H            -1.1374340121       -1.3826202516       -4.6613785516
H            -0.3404519350       -0.3885170520       -3.7623195037
O            -3.3151465752       -2.2117833542        0.0252382225
H            -3.2767371670       -1.6997252337       -0.8307704445
H            -4.1035325851       -2.7522136287       -0.0187819876
O             3.2616777042        0.6639652647        2.1216953554
H             3.9721431836        0.9230283227        2.7067745805
H             3.2612386260        1.3220464987        1.3681209030
O            -2.9544483392        2.0783879105        1.4197021350
H            -3.7883737005        2.4784867676        1.6658578208
H            -3.0008504813        1.1323337190        1.7450332506
O             2.8031382675       -1.9426427986        1.3081664564
H             2.9796138570       -1.0391683253        1.6193686033
H             2.7937377663       -1.8988367644        0.3360683128
O            -0.0941187505       -0.1134767808        0.0276117484
H            -0.8814233453        0.3572368460       -0.3307615702
H            -0.2813607298       -1.0745423145       -0.0379850905
O             0.7068758518       -3.0153261379       -2.3331273537
H             0.1784244455       -2.4241961549       -2.8959927935
H             0.1997060590       -3.0749479790       -1.5033153980
O             3.1399674482        2.3648270701        0.1511384599
H             2.4454497012        3.0185415318        0.3439114725
H             2.7587845958        1.7951388488       -0.5473787899
O             0.5615091741        0.6715858306        2.5019978077
H             1.5324225212        0.6557416501        2.5192224143
H             0.3141292928        0.3843983288        1.5953449689
O            -3.1112690991       -0.8504859952       -2.1967340290
H            -2.8766546844        0.0244819698       -1.8363104510
H            -2.3343968730       -1.1133665709       -2.7177852810
    63
 Energy=    -106.839321319900
O             0.7115053544        0.9509269991       -3.8819164281
H             1.1386245251        0.8860962554       -2.9843038303
H             1.4110422525        0.8419022548       -4.5291212589
O            -0.5571081094        3.1004653409        2.3337787933
H            -1.4368573989        2.8478924692        2.0035693671
H            -0.1259013212        2.2471038061        2.5520355657
O            -0.2505126874        3.1683720600       -1.7525787864
H             0.2587164290        3.3738971253       -2.5464118544
H             0.2663867317        3.4651650202       -0.9769900560
O             1.0086259910        4.0564374555        0.5068241628
H             0.3971646477        3.6847868291        1.2125122906
H             1.0647667864        4.9967055708        0.6794618878
O            -3.1737248676       -0.4043013719        2.1581459443
H            -2.4477491453       -0.7323745980        2.7330688974
H            -3.2264059984       -1.0250621095        1.4140657720
O            -2.0571323968        1.3294858757       -1.0085151952
H            -1.4826079634        2.0143144850       -1.4039245455
H            -2.4463527884        1.7188683673       -0.2037725598
O            -1.0313895760       -1.2722793755        3.5422418843
H            -0.4610129143       -0.4994077646        3.3794345334
H            -0.5387161561       -2.0187161494        3.1714937828
O             0.6652119124       -3.1268265992        2.2784478960
H             1.4683046879       -2.6404597341        1.9501655442
H             0.9879582059       -3.9427054517        2.6599140946
O            -0.6731997646       -2.7359292275       -0.0231323903
H            -1.6407782348       -2.6924684055        0.0825365362
H            -0.2905672127       -2.9899238421        0.8378006339
O             2.8825849616       -1.8711666268       -1.4635254335
H             2.0654787703       -2.3284628279       -1.8156026692
H             3.6338372948       -2.3696342991       -1.7837257723
O             1.8870191644        0.6501451165       -1.5183553683
H             2.3940857276       -0.1771111622       -1.5633660306
H             1.1287556795        0.4315479199       -0.9171341525
O            -0.8422331624       -1.2395931825       -3.7585426511
H            -1.1327154428       -1.3800882112       -4.6608927432
H            -0.3386184375       -0.3902758211       -3.7517824856
O            -3.3157525428       -2.2106419583        0.0265063337
H            -3.2744980276       -1.6990279204       -0.8299878641
H            -4.1034789577       -2.7516731979       -0.0197485904
O             3.2619685871        0.6639719338        2.1212513944
H             3.9724861352        0.9219603729        2.7067415695
H             3.2605181862        1.3220418967        1.3672710706
O            -2.9536686957        2.0799346552        1.4198343870
H            -3.7883222383        2.4779312140        1.6657130619
H            -2.9983746735        1.1326556567        1.7428077133
O             2.8039877385       -1.9442011657        1.3045556296
H             2.9798787608       -1.0414676458        1.6176155445
H             2.7948529102       -1.8924527228        0.3326904496
O            -0.0979465544       -0.1138886038        0.0213336493
H            -0.8895443530        0.3573108880       -0.3306566550
H            -0.2821159247       -1.0759092367       -0.0364297764
O             0.7066950745       -3.0140933775       -2.3332127999
H             0.1822494442       -2.4183240119       -2.8947713188
H             0.1995215415       -3.0752238835       -1.5028672549
O             3.1347408474        2.3686071238        0.1546207594
H             2.4405442869        3.0218044587        0.3439685140
H             2.7544874124        1.8034047502       -0.5499652930
O             0.5612358958        0.6707843525        2.5039456133
H             1.5322424536        0.6553180677        2.5173106893
H             0.3130652121        0.3846867966        1.5973670969
O            -3.1082946892       -0.8522462051       -2.1991799330
H            -2.8778896081        0.0231174544       -1.8367197219
H            -2.3285626632       -1.1109482829       -2.7183881632
    63
 Energy=    -106.839321316740
O             0.6826779360        0.9226506671       -3.8585828201
H             1.0833823559        0.9569984386       -2.9470842337
H             1.4109140483        0.8238934201       -4.4742177002
O            -0.5562121476        3.0976931782        2.3335936036
H            -1.4369651458        2.8426786916        2.0079167470
H            -0.1232886576        2.2438795552        2.5483852866
O            -0.1866878220        3.0845685802       -1.7596227038
H             0.1959200770        3.4728545699       -2.5463809398
H             0.3322489972        3.3927920207       -0.9945600365
O             0.9894026341        4.0598241889        0.4922230703
H             0.3803227369        3.6862471932        1.2001179448
H             1.0610628591        4.9950084128        0.6820991655
O            -3.1728093636       -0.4029219513        2.1579898049
H            -2.4451928112       -0.7297292315        2.7315487259
H            -3.2262358422       -1.0238055564        1.4139991701
O            -2.0681967621        1.3365321218       -1.0183314943
H            -1.4501941670        1.9848264525       -1.4009114734
H            -2.4355052674        1.7424488655       -0.2109469650
O            -1.0297177665       -1.2699443466        3.5414267903
H            -0.4598577532       -0.4976003240        3.3745555668
H            -0.5392085763       -2.0178075368        3.1710574318
O             0.6645487498       -3.1261259472        2.2797791116
H             1.4668645135       -2.6393290886        1.9517357946
H             0.9869985655       -3.9432723647        2.6591794142
O            -0.6751565662       -2.7405856666       -0.0210095609
H            -1.6426496476       -2.6959558974        0.0860359193
H            -0.2908055331       -2.9912199182        0.8399694687
O             2.8904538884       -1.8616505021       -1.4772335322
H             2.0688983943       -2.3257588187       -1.8103273417
H             3.6358850398       -2.3864252179       -1.7680218346
O             1.8843803265        0.6499941497       -1.5360836387
H             2.3800729485       -0.1861659124       -1.5743099025
H             1.1244697695        0.4417980812       -0.9381426344
O            -0.8370683234       -1.2260575880       -3.7518350797
H            -1.1181879478       -1.3761786371       -4.6540066319
H            -0.3464857539       -0.3652119473       -3.7646185916
O            -3.3168897949       -2.2098883706        0.0275387743
H            -3.2758844941       -1.6960083894       -0.8283193669
H            -4.1036055567       -2.7523529901       -0.0197456496
O             3.2629276341        0.6600579692        2.1221629615
H             3.9738117275        0.9193869195        2.7071978304
H             3.2571684532        1.3191198683        1.3710105051
O            -2.9500178756        2.0819607708        1.4210386433
H            -3.7881218412        2.4746468134        1.6640827772
H            -2.9955050131        1.1319409482        1.7363948798
O             2.8055443384       -1.9446299504        1.3042807001
H             2.9787679788       -1.0414548127        1.6182331099
H             2.8019353248       -1.8946483024        0.3325934398
O            -0.1022599603       -0.1163864981        0.0241409180
H            -0.8858251566        0.3530381984       -0.3435234712
H            -0.2905145658       -1.0776248244       -0.0384213595
O             0.7131824349       -3.0135893228       -2.3284737546
H             0.1894090925       -2.4187029528       -2.8926572267
H             0.1995435504       -3.0804972810       -1.5031542738
O             3.1302859379        2.3728621590        0.1532028054
H             2.4326583809        3.0250328138        0.3430246194
H             2.7591978871        1.8071742750       -0.5529184462
O             0.5623341717        0.6739361552        2.5030292879
H             1.5333076914        0.6560581722        2.5140645820
H             0.3083888939        0.3841137581        1.5992300190
O            -3.1023189194       -0.8525165038       -2.1952831303
H            -2.8760285091        0.0270906715       -1.8418747933
H            -2.3230586950       -1.1063038264       -2.7187308010
    63
 Energy=    -106.839321315130
O             0.6500034149        0.9489687445       -3.8733380006
H             0.9888334158        1.0556065674       -2.9450871159
H             1.4418622478        0.7975944960       -4.3988536223
O            -0.5562352019        3.0963020919        2.3324872754
H            -1.4379250228        2.8402204794        2.0099924381
H            -0.1218282778        2.2424005835        2.5461563117
O            -0.1352363643        3.0276762852       -1.7832307903
H             0.1604963615        3.5218545030       -2.5442119450
H             0.3459124709        3.3760753273       -0.9975353572
O             0.9759406472        4.0537433129        0.4788843170
H             0.3740172264        3.6805193400        1.1949915676
H             1.0605997303        4.9863377795        0.6727003989
O            -3.1717870061       -0.4016475708        2.1574304044
H            -2.4441782281       -0.7288160305        2.7310487336
H            -3.2263472851       -1.0234718399        1.4142861013
O            -2.0705361284        1.3471209549       -1.0244623300
H            -1.4441894770        1.9912470084       -1.4021302335
H            -2.4337990624        1.7454922723       -0.2116550779
O            -1.0295681304       -1.2686598702        3.5403624379
H            -0.4590735160       -0.4969175579        3.3719369053
H            -0.5393666836       -2.0173248510        3.1712330923
O             0.6642487382       -3.1256581641        2.2805759109
H             1.4668107671       -2.6387960907        1.9526609108
H             0.9867204316       -3.9433598404        2.6586955365
O            -0.6753072720       -2.7415167242       -0.0202134479
H            -1.6425996986       -2.6962894011        0.0878275292
H            -0.2899826041       -2.9909746736        0.8408023565
O             2.8990477748       -1.8748990028       -1.4723386775
H             2.0747951490       -2.3324710124       -1.8069782046
H             3.6400661166       -2.4037191207       -1.7677689057
O             1.8970428131        0.6553787241       -1.5298012732
H             2.3983691285       -0.1752064332       -1.5782321666
H             1.1413966051        0.4384407900       -0.9313000326
O            -0.8366189209       -1.2276657797       -3.7525306484
H            -1.1166540062       -1.3856778548       -4.6533065726
H            -0.3489670069       -0.3633171498       -3.7685680468
O            -3.3179684043       -2.2095295799        0.0287376670
H            -3.2765544292       -1.6958354078       -0.8276088994
H            -4.1038676840       -2.7530997517       -0.0197214353
O             3.2615369514        0.6609362006        2.1234811214
H             3.9745847601        0.9180893547        2.7067246506
H             3.2573806114        1.3187115239        1.3707278898
O            -2.9492185615        2.0814201516        1.4187417299
H            -3.7872662090        2.4734257965        1.6627408743
H            -2.9938901178        1.1311920063        1.7349502054
O             2.8053834219       -1.9456272552        1.3073308610
H             2.9781715120       -1.0411632469        1.6181108482
H             2.8050942695       -1.8996385552        0.3352232426
O            -0.1033253987       -0.1181284075        0.0226254962
H            -0.8859346579        0.3502899075       -0.3465934071
H            -0.2897920403       -1.0797435567       -0.0398945880
O             0.7134130131       -3.0169778319       -2.3282668568
H             0.1913740650       -2.4194299281       -2.8912040843
H             0.2008420018       -3.0817345122       -1.5019985396
O             3.1329139550        2.3683117683        0.1540028257
H             2.4312585423        3.0172481125        0.3373992838
H             2.7646492434        1.7982238544       -0.5526813735
O             0.5618287163        0.6739630558        2.4989696847
H             1.5328448433        0.6560174318        2.5120940512
H             0.3102415015        0.3834694451        1.5943623372
O            -3.1029310922       -0.8508945523       -2.1948243776
H            -2.8763312591        0.0292688489       -1.8426316752
H            -2.3238895989       -1.1065975624       -2.7178178309
    63
 Energy=    -106.839321314190
O             0.6427539274        0.9629541965       -3.8793401114
H             0.9390777917        1.1026550613       -2.9486509947
H             1.4533084090        0.7844915531       -4.3604435329
O            -0.5561891466        3.0955766225        2.3317826623
H            -1.4383688043        2.8391603103        2.0109670958
H            -0.1211670778        2.2418055201        2.5451527388
O            -0.1043199575        3.0055627256       -1.7941946777
H             0.1413641787        3.5423482692       -2.5404006702
H             0.3479381617        3.3668718576       -1.0018251171
O             0.9694530057        4.0503148382        0.4730689148
H             0.3713496327        3.6777946164        1.1922397191
H             1.0604172239        4.9822498571        0.6679699517
O            -3.1713117530       -0.4010420452        2.1571421076
H            -2.4437321437       -0.7284205901        2.7308142089
H            -3.2264036747       -1.0233190273        1.4144196094
O            -2.0710487596        1.3523212620       -1.0270960489
H            -1.4419228943        1.9945105393       -1.4030567277
H            -2.4334254419        1.7465267113       -0.2117380346
O            -1.0294827991       -1.2680328788        3.5398807387
H            -0.4587348363       -0.4966308595        3.3707497087
H            -0.5394353422       -2.0171298270        3.1713082344
O             0.6640292621       -3.1254433962        2.2809933794
H             1.4668336982       -2.6385842805        1.9531033086
H             0.9866209995       -3.9434034943        2.6584684843
O            -0.6753969161       -2.7418856273       -0.0198206828
H            -1.6425228170       -2.6963906083        0.0886127971
H            -0.2896141838       -2.9908477630        0.8411752430
O             2.9028922525       -1.8818249680       -1.4695505032
H             2.0779682207       -2.3354923655       -1.8055193718
H             3.6418395062       -2.4117626702       -1.7678661368
O             1.9031800149        0.6579712248       -1.5255557491
H             2.4074500555       -0.1696779928       -1.5805846470
H             1.1494409763        0.4367652537       -0.9278854335
O            -0.8362644619       -1.2276019916       -3.7533793988
H            -1.1166295538       -1.3911731524       -4.6534913665
H            -0.3500199789       -0.3636529731       -3.7692309428
O            -3.3184885254       -2.2092303335        0.0291011656
H            -3.2768383513       -1.6959704922       -0.8270172467
H            -4.1039341676       -2.7534012216       -0.0197378690
O             3.2608185287        0.6613024077        2.1242074257
H             3.9749671184        0.9174859967        2.7065168000
H             3.2576102865        1.3187053945        1.3704121085
O            -2.9487560302        2.0811476725        1.4176499904
H            -3.7868572788        2.4728473132        1.6621057031
H            -2.9931779644        1.1308855088        1.7342996844
O             2.8053450240       -1.9460348168        1.3086991360
H             2.9779052910       -1.0410532206        1.6181014451
H             2.8065297585       -1.9020603333        0.3364150303
O            -0.1037300781       -0.1187892450        0.0213549803
H            -0.8859389144        0.3487437557       -0.3477430327
H            -0.2893310184       -1.0804587890       -0.0405509764
O             0.7133638781       -3.0186022856       -2.3281869695
H             0.1923889660       -2.4197753199       -2.8904002950
H             0.2014934572       -3.0822228416       -1.5015344442
O             3.1340263207        2.3659713385        0.1543929620
H             2.4307158596        3.0133965017        0.3346270799
H             2.7672984969        1.7939485440       -0.5525632316
O             0.5615558786        0.6739559272        2.4968639864
H             1.5326462289        0.6559644539        2.5112444385
H             0.3111415079        0.3831390235        1.5920523193
O            -3.1031412960       -0.8499290187       -2.1947456237
H            -2.8766769396        0.0301567442       -1.8428889460
H            -2.3243517076       -1.1069289755       -2.7173848938
    63
 Energy=    -106.839321311770
O             0.6352591797        0.9789547566       -3.8856490448
H             0.8824579277        1.1557590058       -2.9531444045
H             1.4659189418        0.7696844227       -4.3169797621
O            -0.5561271995        3.0947529468        2.3309757885
H            -1.4388724182        2.8379633723        2.0120675616
H            -0.1204218534        2.2411383381        2.5440173010
O            -0.0691521806        2.9805306821       -1.8060679630
H             0.1198035907        3.5656916211       -2.5363323995
H             0.3499841045        3.3563531438       -1.0069712603
O             0.9621018154        4.0463663247        0.4665113054
H             0.3683461334        3.6747116263        1.1890994656
H             1.0602129312        4.9776621662        0.6626096327
O            -3.1707742720       -0.4003573575        2.1568170992
H            -2.4432293290       -0.7279740860        2.7305474948
H            -3.2264674433       -1.0231460147        1.4145695360
O            -2.0715953881        1.3582178408       -1.0300699222
H            -1.4394123900        1.9981914317       -1.4041100433
H            -2.4330209534        1.7476814122       -0.2118221735
O            -1.0293831148       -1.2673176884        3.5393378624
H            -0.4583556443       -0.4963109559        3.3694081022
H            -0.5395121641       -2.0169121595        3.1713916799
O             0.6637762568       -3.1252007724        2.2814687212
H             1.4668621347       -2.6383460013        1.9536039467
H             0.9865102389       -3.9434536382        2.6582116804
O            -0.6755004999       -2.7423025232       -0.0193737058
H            -1.6424320468       -2.6965020158        0.0894980663
H            -0.2891988621       -2.9907030185        0.8415950587
O             2.9072304378       -1.8896992996       -1.4663821691
H             2.0815848762       -2.3389004745       -1.8038691917
H             3.6438328604       -2.4208591324       -1.7679825134
O             1.9100680276        0.6609410564       -1.5207285447
H             2.4177379750       -0.1633992907       -1.5832773787
H             1.1585627002        0.4348661265       -0.9240110416
O            -0.8358216397       -1.2274644325       -3.7543293830
H            -1.1166470311       -1.3974475935       -4.6537571091
H            -0.3512452536       -0.3641306371       -3.7699256095
O            -3.3190766287       -2.2088806532        0.0294943524
H            -3.2771574825       -1.6961362206       -0.8263289190
H            -4.1040074733       -2.7537405222       -0.0197577027
O             3.2600027728        0.6617115627        2.1250370143
H             3.9754014165        0.9168038111        2.7062826620
H             3.2578764915        1.3187076713        1.3700454734
O            -2.9482240267        2.0808379897        1.4164195444
H            -3.7863988400        2.4721937222        1.6613876392
H            -2.9923741951        1.1305423608        1.7335624605
O             2.8053059258       -1.9464888197        1.3102451682
H             2.9776032212       -1.0409337080        1.6180925503
H             2.8081514438       -1.9048051163        0.3377611148
O            -0.1041887210       -0.1195271547        0.0198877540
H            -0.8859356196        0.3469837874       -0.3490308151
H            -0.2888049270       -1.0812526337       -0.0412921502
O             0.7132993277       -3.0204396077       -2.3280936916
H             0.1935410950       -2.4201679296       -2.8894834381
H             0.2022350351       -3.0827706202       -1.5010183364
O             3.1352655000        2.3633171602        0.1548212931
H             2.4301128333        3.0090228886        0.3314851679
H             2.7703052993        1.7891090328       -0.5524188860
O             0.5612444459        0.6739472481        2.4944686471
H             1.5324230434        0.6559026824        2.5102869453
H             0.3121597696        0.3827645941        1.5894393293
O            -3.1033731687       -0.8488218808       -2.1946571195
H            -2.8770773912        0.0311498397       -1.8431785876
H            -2.3248784940       -1.1073110666       -2.7168946732
    63
 Energy=    -106.839321311000
O             0.6351938309        0.9801119426       -3.8859010032
H             0.8784638050        1.1592577494       -2.9533227888
H             1.4666458686        0.7686509853       -4.3143651593
O            -0.5561103420        3.0946988616        2.3309189990
H            -1.4389111620        2.8378842817        2.0121359783
H            -0.1203752006        2.2410978021        2.5439420266
O            -0.0667821661        2.9785412982       -1.8059501205
H             0.1185415581        3.5677088229       -2.5366607674
H             0.3499217871        3.3555490672       -1.0076037366
O             0.9616059567        4.0460081473        0.4660805208
H             0.3681571731        3.6745120655        1.1888741247
H             1.0602041132        4.9774338602        0.6622637432
O            -3.1707387365       -0.4003119997        2.1567993377
H            -2.4431976990       -0.7279449781        2.7305283930
H            -3.2264716686       -1.0231356735        1.4145769275
O            -2.0715976165        1.3586161059       -1.0302716071
H            -1.4392887172        1.9984168480       -1.4041754640
H            -2.4330034607        1.7477539294       -0.2118215017
O            -1.0293739126       -1.2672619171        3.5393046164
H            -0.4583351528       -0.4962954411        3.3693210611
H            -0.5395152048       -2.0169019290        3.1713947863
O             0.6637559802       -3.1251839548        2.2815011604
H             1.4668654840       -2.6383302574        1.9536362965
H             0.9865045101       -3.9434593069        2.6581957471
O            -0.6755070283       -2.7423311644       -0.0193416566
H            -1.6424251475       -2.6965073313        0.0895542421
H            -0.2891727939       -2.9906921493        0.8416200702
O             2.9075083851       -1.8902401911       -1.4661750565
H             2.0818344937       -2.3391176757       -1.8037580031
H             3.6439595989       -2.4214547788       -1.7679917224
O             1.9104514854        0.6611853148       -1.5204281274
H             2.4184157793       -0.1629914930       -1.5834492260
H             1.1592101104        0.4347326464       -0.9237704498
O            -0.8357512486       -1.2274190688       -3.7543448968
H            -1.1166716600       -1.3978791859       -4.6538242086
H            -0.3513859311       -0.3642592165       -3.7699580167
O            -3.3191125124       -2.2088487507        0.0295073895
H            -3.2771770172       -1.6961542166       -0.8262723715
H            -4.1040136819       -2.7537635542       -0.0197596040
O             3.2599455930        0.6617333710        2.1250954332
H             3.9754337647        0.9167602134        2.7062703118
H             3.2578961814        1.3187106432        1.3700172065
O            -2.9481791543        2.0808157797        1.4163430511
H            -3.7863759065        2.4721534398        1.6613417316
H            -2.9923226184        1.1305216274        1.7335121475
O             2.8053075797       -1.9465132974        1.3103490755
H             2.9775817069       -1.0409306848        1.6180912855
H             2.8082558277       -1.9049864504        0.3378472386
O            -0.1042246696       -0.1195667336        0.0197723131
H            -0.8859301272        0.3468643626       -0.3491089988
H            -0.2887668766       -1.0812985445       -0.0413395477
O             0.7132899998       -3.0205595123       -2.3280796223
H             0.1936140898       -2.4201914369       -2.8894219279
H             0.2022890808       -3.0828032794       -1.5009953836
O             3.1353335873        2.3631458707        0.1548310970
H             2.4300786853        3.0087297173        0.3312812418
H             2.7705107257        1.7887841437       -0.5523960610
O             0.5612203799        0.6739475048        2.4943050799
H             1.5324107826        0.6558973561        2.5102254693
H             0.3122270936        0.3827396242        1.5892692133
O            -3.1033854334       -0.8487362513       -2.1946433245
H            -2.8771092796        0.0312021254       -1.8432016867
H            -2.3249117677       -1.1073374810       -2.7168657929
    63
 Energy=    -106.839321297040
O             0.5608642117        1.1602591220       -3.5344511821
H             0.1207153411        1.9107090475       -3.1089730436
H             1.2889239867        0.9204438008       -2.9243674105
O            -0.5374757185        3.0724319132        2.1444836563
H            -1.4410810463        2.8032175232        1.9051897622
H            -0.0962826416        2.2335161535        2.4034869478
O            -0.4527605699        3.3526231836       -2.0635388282
H            -0.5409998326        4.1879622199       -2.5223829599
H             0.1093591436        3.5161933684       -1.2715431921
O             0.9164910725        3.8815678866        0.1752027010
H             0.3376411336        3.5526091980        0.9333333501
H             1.1456630334        4.7839171129        0.3990957610
O            -3.2159791621       -0.4292079537        2.1689205962
H            -2.4693783432       -0.7401619159        2.7285075188
H            -3.2623982212       -1.0428881252        1.4180852560
O            -2.0304425618        1.3792254909       -1.0078403675
H            -1.5889265679        2.1329139981       -1.4285974221
H            -2.4243381302        1.6987199549       -0.1718404130
O            -1.0291988375       -1.2284728601        3.5065923548
H            -0.4526577376       -0.4697330393        3.3023171011
H            -0.5435054543       -1.9984572347        3.1774222656
O             0.6400028001       -3.1456472079        2.3186378658
H             1.4711984432       -2.6916849807        2.0135168366
H             0.9157374309       -3.9901995256        2.6741386075
O            -0.6604018720       -2.6660347986        0.0132129769
H            -1.6294205511       -2.6229214180        0.1058006739
H            -0.2874326665       -2.9321734034        0.8748946816
O             3.0007336568       -2.1660447793       -1.3715248507
H             2.1410757225       -2.5237750523       -1.7354632271
H             3.6971306929       -2.7026948649       -1.7486789403
O             2.1954872591        0.4162491826       -1.5383096079
H             2.6529399562       -0.4405446717       -1.5662956764
H             1.4033373638        0.2517197629       -0.9738062936
O            -0.7331568928       -1.1195920939       -3.6487116897
H            -0.8530373759       -1.2892455876       -4.5832239068
H            -0.2740920929       -0.2369904057       -3.5891696327
O            -3.3133690240       -2.1904391825        0.0046476375
H            -3.2600335250       -1.6768082149       -0.8506529490
H            -4.0641459478       -2.7776282974       -0.0791180443
O             3.2879790435        0.6001513900        2.1225132932
H             4.0168567298        0.8379302794        2.6944064302
H             3.2961619336        1.2513066120        1.3648442002
O            -2.9822700109        2.0342779392        1.4127074478
H            -3.8212287608        2.4337624278        1.6414007804
H            -3.0361798988        1.0858733787        1.7434468647
O             2.8441908036       -2.0485257298        1.4002571749
H             3.0100383999       -1.1250084988        1.6525594031
H             2.8916709182       -2.0796206642        0.4288766309
O             0.0261449581       -0.0852446040       -0.0835262832
H            -0.7453622102        0.4005853431       -0.4444946030
H            -0.2099786531       -1.0395601109       -0.0955850262
O             0.7152840070       -3.0297834867       -2.2923677687
H             0.2563083266       -2.3628581993       -2.8347308824
H             0.1954304478       -3.0701615217       -1.4701492093
O             3.1934695057        2.2761017136        0.1198871115
H             2.4213231392        2.8634155813        0.1828057099
H             2.9637592340        1.6443505596       -0.5925868240
O             0.5867049982        0.6726590020        2.4231631718
H             1.5553443330        0.6348807689        2.4864752609
H             0.3794129503        0.3837006693        1.5059082522
O            -3.0659114116       -0.8206283872       -2.2084339028
H            -2.8413458913        0.0515909026       -1.8394392368
H            -2.2780782683       -1.0713710697       -2.7234254301
    63
 Energy=    -106.839321273610
O             0.5608278575        1.1602887077       -3.5344819747
H             0.1206724384        1.9107150269       -3.1089704161
H             1.2889308627        0.9204911113       -2.9244443441
O            -0.5374937720        3.0724618905        2.1445219355
H            -1.4410909756        2.8032500394        1.9051794443
H            -0.0963211175        2.2335448304        2.4035425564
O            -0.4527969413        3.3526783347       -2.0635824652
H            -0.5409491071        4.1880566722       -2.5223703519
H             0.1093126983        3.5161584702       -1.2715588508
O             0.9164668425        3.8814640462        0.1751865752
H             0.3376188647        3.5525309589        0.9333341732
H             1.1456664115        4.7838140222        0.3990573562
O            -3.2159225125       -0.4291714074        2.1689166149
H            -2.4693446274       -0.7401436517        2.7285143967
H            -3.2624173944       -1.0429126679        1.4181352694
O            -2.0305258130        1.3792834765       -1.0079802273
H            -1.5890504489        2.1329771761       -1.4287696546
H            -2.4243709051        1.6987613191       -0.1719539723
O            -1.0291858507       -1.2285035071        3.5066096415
H            -0.4526559338       -0.4697569011        3.3023265813
H            -0.5434684338       -1.9984940000        3.1774940763
O             0.6401336582       -3.1456624632        2.3186985747
H             1.4713334230       -2.6917102244        2.0135792365
H             0.9158495369       -3.9902773104        2.6740610258
O            -0.6603534905       -2.6659825785        0.0133292704
H            -1.6293721834       -2.6229105490        0.1059176396
H            -0.2873556012       -2.9321283366        0.8749997746
O             3.0006911487       -2.1660525098       -1.3714927725
H             2.1410273567       -2.5237635621       -1.7354243436
H             3.6970698870       -2.7027076614       -1.7486714192
O             2.1955014777        0.4162786387       -1.5383474237
H             2.6529462234       -0.4405157228       -1.5663121784
H             1.4033369703        0.2517871701       -0.9738604153
O            -0.7331675344       -1.1195677003       -3.6487966358
H            -0.8531043231       -1.2891594150       -4.5833133683
H            -0.2741147443       -0.2369609301       -3.5892423959
O            -3.3133473759       -2.1904467812        0.0046621287
H            -3.2600304449       -1.6768173375       -0.8506397327
H            -4.0640825696       -2.7776847238       -0.0791336560
O             3.2879690858        0.6000933052        2.1226116865
H             4.0168467960        0.8378450937        2.6945174416
H             3.2961854958        1.2512429734        1.3649392652
O            -2.9822072759        2.0343075424        1.4126855943
H            -3.8211794787        2.4337759735        1.6413623682
H            -3.0361142705        1.0858956764        1.7433998365
O             2.8443107583       -2.0485712614        1.4002953758
H             3.0101451364       -1.1250632135        1.6526416599
H             2.8917033718       -2.0796118665        0.4289090818
O             0.0261160041       -0.0851614874       -0.0835829355
H            -0.7454061416        0.4006375741       -0.4445682735
H            -0.2100147398       -1.0394711118       -0.0955901708
O             0.7152091906       -3.0297813545       -2.2923477357
H             0.2562876270       -2.3628754691       -2.8347755951
H             0.1953743437       -3.0700430306       -1.4701110983
O             3.1934793996        2.2760045147        0.1199601030
H             2.4213163925        2.8632947514        0.1828634913
H             2.9638016748        1.6442738957       -0.5925425255
O             0.5866440272        0.6726807270        2.4231524952
H             1.5552754968        0.6348700328        2.4864743401
H             0.3793447868        0.3837469289        1.5058887819
O            -3.0659250086       -0.8206905860       -2.2084338588
H            -2.8414156773        0.0515776653       -1.8395228603
H            -2.2780994498       -1.0714316237       -2.7234366590
    63
 Energy=    -106.839321215690
O             0.5607919796        1.1605133152       -3.5346775089
H             0.1206756032        1.9109523519       -3.1091328355
H             1.2888779628        0.9206534783       -2.9246500048
O            -0.5375441521        3.0725088847        2.1447192997
H            -1.4411249826        2.8033090005        1.9052771710
H            -0.0964119493        2.2335649685        2.4037067685
O            -0.4528368714        3.3528006793       -2.0638225157
H            -0.5405605429        4.1882847956       -2.5225018374
H             0.1092630342        3.5159156964       -1.2717078611
O             0.9163721835        3.8809543953        0.1751102197
H             0.3375463369        3.5522464308        0.9333774125
H             1.1454704329        4.7834127080        0.3986478783
O            -3.2157529157       -0.4290685558        2.1689440890
H            -2.4692592014       -0.7401688238        2.7285798530
H            -3.2622508330       -1.0427498193        1.4181170373
O            -2.0307837141        1.3793364263       -1.0084062754
H            -1.5893187854        2.1330338069       -1.4291886848
H            -2.4245134040        1.6987723607       -0.1723064227
O            -1.0290711996       -1.2286554517        3.5065751068
H            -0.4526373695       -0.4698518096        3.3022110048
H            -0.5432095034       -1.9986114461        3.1776180803
O             0.6405707497       -3.1456466675        2.3187810190
H             1.4718773338       -2.6918289832        2.0137331256
H             0.9160299882       -3.9905549622        2.6736458370
O            -0.6601990438       -2.6655392703        0.0137078918
H            -1.6292214233       -2.6225728756        0.1063519506
H            -0.2870740550       -2.9316511957        0.8753416455
O             3.0004080684       -2.1660620809       -1.3714293905
H             2.1407001534       -2.5236849657       -1.7353385899
H             3.6967063550       -2.7028439587       -1.7485832745
O             2.1954213935        0.4163646567       -1.5385002954
H             2.6527239329       -0.4405071493       -1.5663823856
H             1.4031701167        0.2520252310       -0.9740860923
O            -0.7332694701       -1.1193133652       -3.6489551547
H            -0.8533190721       -1.2889234776       -4.5834531980
H            -0.2741858022       -0.2367186012       -3.5894521327
O            -3.3131868200       -2.1904607507        0.0047984825
H            -3.2599258090       -1.6770049607       -0.8506092681
H            -4.0636359091       -2.7780650707       -0.0789849625
O             3.2878478949        0.5998681042        2.1230566249
H             4.0166761090        0.8377391099        2.6949772546
H             3.2960742441        1.2509346701        1.3653078698
O            -2.9820630636        2.0342819675        1.4123955429
H            -3.8210136269        2.4337600228        1.6411296721
H            -3.0359204738        1.0859064064        1.7432368665
O             2.8448628334       -2.0487334378        1.4004691210
H             3.0105200271       -1.1252209728        1.6529365921
H             2.8920479487       -2.0796083417        0.4290660524
O             0.0259900652       -0.0847692494       -0.0837790033
H            -0.7455702244        0.4008817644       -0.4448734479
H            -0.2100584593       -1.0391141094       -0.0955478552
O             0.7148078882       -3.0295860205       -2.2922223219
H             0.2558679448       -2.3626687849       -2.8346159820
H             0.1950798377       -3.0697843211       -1.4699135506
O             3.1935021063        2.2756367017        0.1203013655
H             2.4213481411        2.8629415742        0.1831868100
H             2.9638603625        1.6439957876       -0.5922961385
O             0.5864873728        0.6726437801        2.4230749596
H             1.5551048837        0.6346696061        2.4865570848
H             0.3792776059        0.3839409483        1.5057178952
O            -3.0659190758       -0.8209544768       -2.2084977228
H            -2.8415276659        0.0513755678       -1.8396663710
H            -2.2780843694       -1.0715436411       -2.7235670197
    63
 Energy=    -106.839321202550
O             0.5607734484        1.1605373943       -3.5346968841
H             0.1206610384        1.9109761536       -3.1091487328
H             1.2888511259        0.9206718063       -2.9246592812
O            -0.5375376050        3.0724922549        2.1447236881
H            -1.4411160537        2.8032729739        1.9052780772
H            -0.0963941740        2.2335608442        2.4037501621
O            -0.4528176591        3.3527869199       -2.0638346171
H            -0.5404145159        4.1882398896       -2.5225982269
H             0.1092620274        3.5159031067       -1.2717099973
O             0.9163636956        3.8808908564        0.1751051877
H             0.3375228536        3.5521884056        0.9333683696
H             1.1454287996        4.7833594579        0.3986278017
O            -3.2157378269       -0.4290679399        2.1689273488
H            -2.4692280852       -0.7401414349        2.7285394370
H            -3.2622474366       -1.0427745682        1.4181112948
O            -2.0308100132        1.3793568120       -1.0084596233
H            -1.5893123863        2.1330405138       -1.4292242936
H            -2.4245154732        1.6987842352       -0.1723471165
O            -1.0290422687       -1.2286840638        3.5065915913
H            -0.4526231902       -0.4698755382        3.3021682115
H            -0.5431829105       -1.9986412239        3.1776180182
O             0.6406303574       -3.1456299902        2.3187468726
H             1.4719435597       -2.6918293423        2.0137200880
H             0.9160556087       -3.9905724702        2.6735619340
O            -0.6601580773       -2.6654667069        0.0137265958
H            -1.6291968740       -2.6224787236        0.1063808536
H            -0.2870255210       -2.9315699042        0.8753534008
O             3.0003492050       -2.1660542011       -1.3714205269
H             2.1406371004       -2.5236767130       -1.7353150498
H             3.6966301959       -2.7028355303       -1.7485890004
O             2.1954051997        0.4163719595       -1.5385014422
H             2.6527067997       -0.4404968942       -1.5663805391
H             1.4031521639        0.2520532413       -0.9740901995
O            -0.7333029647       -1.1193067562       -3.6489380697
H            -0.8532885375       -1.2889182200       -4.5834460433
H            -0.2742525630       -0.2366854974       -3.5894503854
O            -3.3131439187       -2.1904502034        0.0048262792
H            -3.2598913845       -1.6770147521       -0.8505934428
H            -4.0635625473       -2.7780903195       -0.0789575169
O             3.2878387389        0.5998511009        2.1230960302
H             4.0166148950        0.8377571871        2.6950667475
H             3.2960631520        1.2509344813        1.3653584665
O            -2.9820446826        2.0342858503        1.4123649541
H            -3.8210136571        2.4337477773        1.6410456897
H            -3.0359032722        1.0859119846        1.7432121570
O             2.8449312062       -2.0487730936        1.4004737796
H             3.0105596772       -1.1252593605        1.6529518311
H             2.8920813047       -2.0796274351        0.4290678540
O             0.0259827499       -0.0846965762       -0.0837662244
H            -0.7455809061        0.4009442521       -0.4448783364
H            -0.2100491762       -1.0390360115       -0.0955827250
O             0.7147380120       -3.0295738421       -2.2921888657
H             0.2558251921       -2.3626328456       -2.8345806285
H             0.1950326443       -3.0697452683       -1.4698643849
O             3.1934683349        2.2755891780        0.1203519921
H             2.4213139419        2.8628905072        0.1832150698
H             2.9638394140        1.6439586219       -0.5922592877
O             0.5864831261        0.6726389297        2.4230923283
H             1.5551044255        0.6346238160        2.4865618341
H             0.3792589852        0.3839801947        1.5057426072
O            -3.0659348667       -0.8209968468       -2.2084895122
H            -2.8415611044        0.0513355556       -1.8396722166
H            -2.2781082219       -1.0715763863       -2.7235739012
    63
 Energy=    -106.839321195950
O             0.5607924173        1.1605667628       -3.5347302676
H             0.1206752868        1.9110098459       -3.1091894550
H             1.2888651042        0.9207089527       -2.9246852351
O            -0.5375320704        3.0724821190        2.1447037806
H            -1.4411065762        2.8032553901        1.9052641168
H            -0.0963825443        2.2335677719        2.4037624656
O            -0.4528169745        3.3527556427       -2.0638445164
H            -0.5403922604        4.1882000078       -2.5226290043
H             0.1092639241        3.5158798926       -1.2717163134
O             0.9163644552        3.8808489930        0.1750871272
H             0.3375041034        3.5521572424        0.9333443801
H             1.1454123473        4.7833257482        0.3985952002
O            -3.2157364301       -0.4290803230        2.1689112054
H            -2.4692027436       -0.7401256298        2.7285151637
H            -3.2622529100       -1.0427977182        1.4181136236
O            -2.0308263194        1.3793607120       -1.0084839688
H            -1.5893072861        2.1330399346       -1.4292342011
H            -2.4245241523        1.6987922909       -0.1723687895
O            -1.0290143046       -1.2286941239        3.5065886915
H            -0.4526109822       -0.4698874619        3.3021287997
H            -0.5431645575       -1.9986522757        3.1776157874
O             0.6406603553       -3.1456399355        2.3187345924
H             1.4719866968       -2.6918369144        2.0137204016
H             0.9160703328       -3.9905887237        2.6735182640
O            -0.6601500163       -2.6654157266        0.0137416972
H            -1.6291662196       -2.6224152562        0.1064180545
H            -0.2869982119       -2.9315187185        0.8753728144
O             3.0002996161       -2.1660532524       -1.3714053497
H             2.1405771687       -2.5236751255       -1.7352882805
H             3.6965758454       -2.7028431149       -1.7485770634
O             2.1953952078        0.4163799999       -1.5385149841
H             2.6526920100       -0.4404929630       -1.5663896575
H             1.4031414100        0.2520555197       -0.9741026111
O            -0.7333051868       -1.1192663545       -3.6489278250
H            -0.8532551482       -1.2888935050       -4.5834344267
H            -0.2742791371       -0.2366355571       -3.5894451161
O            -3.3131112857       -2.1904604160        0.0048437529
H            -3.2598646264       -1.6770300537       -0.8505821312
H            -4.0635166976       -2.7781231810       -0.0789391890
O             3.2878296484        0.5998298753        2.1231215026
H             4.0165700282        0.8377606720        2.6951337072
H             3.2960624757        1.2509219795        1.3653893100
O            -2.9820375920        2.0342911285        1.4123662301
H            -3.8210274053        2.4337405252        1.6410079199
H            -3.0358979971        1.0859160031        1.7432049397
O             2.8449772173       -2.0488097452        1.4004861500
H             3.0105860799       -1.1252948806        1.6529649028
H             2.8921050871       -2.0796579418        0.4290771103
O             0.0259761039       -0.0846440735       -0.0837631029
H            -0.7455883777        0.4009874560       -0.4448782694
H            -0.2100373341       -1.0389938668       -0.0956149372
O             0.7146864335       -3.0295394402       -2.2921669583
H             0.2557947191       -2.3625815208       -2.8345526422
H             0.1949884400       -3.0697015598       -1.4698290286
O             3.1934460663        2.2755522771        0.1203836017
H             2.4212894981        2.8628542664        0.1832334757
H             2.9638304384        1.6439320577       -0.5922417127
O             0.5864843879        0.6726455991        2.4231053555
H             1.5551043710        0.6346001815        2.4865656875
H             0.3792467851        0.3840105568        1.5057415357
O            -3.0659372457       -0.8210398741       -2.2084735112
H            -2.8415895189        0.0513056007       -1.8396639945
H            -2.2781108491       -1.0715881677       -2.7235793232
    63
 Energy=    -106.839321179180
O             0.5608196581        1.1605802360       -3.5347592217
H             0.1206911290        1.9110264956       -3.1092366113
H             1.2888905878        0.9207349883       -2.9247067810
O            -0.5375311370        3.0724782752        2.1446836326
H            -1.4411059232        2.8032470046        1.9052530117
H            -0.0963815939        2.2335722409        2.4037684579
O            -0.4528092185        3.3527296042       -2.0638571148
H            -0.5403723747        4.1881662262       -2.5226551983
H             0.1092665637        3.5158557726       -1.2717261684
O             0.9163645251        3.8808215944        0.1750756722
H             0.3374861987        3.5521411263        0.9333262088
H             1.1454053608        4.7833030213        0.3985671272
O            -3.2157378671       -0.4290917252        2.1689072681
H            -2.4691861755       -0.7401191438        2.7285027956
H            -3.2622606934       -1.0428202847        1.4181132505
O            -2.0308354639        1.3793619362       -1.0084971026
H            -1.5893088500        2.1330448657       -1.4292386616
H            -2.4245336837        1.6988022426       -0.1723822559
O            -1.0289949372       -1.2287005717        3.5065799763
H            -0.4525975499       -0.4698941974        3.3020974791
H            -0.5431480264       -1.9986620328        3.1776103811
O             0.6406744188       -3.1456543605        2.3187223918
H             1.4720182864       -2.6918498810        2.0137247456
H             0.9160854640       -3.9906141244        2.6734902826
O            -0.6601360363       -2.6653768828        0.0137562480
H            -1.6291530178       -2.6223688986        0.1064559272
H            -0.2869878113       -2.9314806625        0.8753861993
O             3.0002602578       -2.1660539354       -1.3714006822
H             2.1405287727       -2.5236773513       -1.7352692076
H             3.6965393772       -2.7028472259       -1.7485697594
O             2.1953889623        0.4163921422       -1.5385277024
H             2.6526817513       -0.4404867808       -1.5663945447
H             1.4031363283        0.2520509856       -0.9741140007
O            -0.7333028267       -1.1192276397       -3.6489217372
H            -0.8532348180       -1.2888799964       -4.5834261286
H            -0.2742889253       -0.2365943135       -3.5894333031
O            -3.3130933533       -2.1904824463        0.0048544619
H            -3.2598513473       -1.6770466118       -0.8505718815
H            -4.0634895863       -2.7781546584       -0.0789267246
O             3.2878230591        0.5998143061        2.1231421129
H             4.0165330793        0.8377616911        2.6951811423
H             3.2960685419        1.2509085476        1.3654097600
O            -2.9820397449        2.0342951739        1.4123808545
H            -3.8210429828        2.4337325967        1.6409895376
H            -3.0358982346        1.0859172949        1.7432025443
O             2.8450130766       -2.0488379543        1.4004952366
H             3.0106045010       -1.1253181684        1.6529747226
H             2.8921244843       -2.0796831782        0.4290863869
O             0.0259682745       -0.0846097553       -0.0837648082
H            -0.7455919971        0.4010288983       -0.4448739432
H            -0.2100256532       -1.0389656388       -0.0956420082
O             0.7146476771       -3.0295060333       -2.2921483750
H             0.2557683669       -2.3625397292       -2.8345364456
H             0.1949544088       -3.0696589097       -1.4698072749
O             3.1934320731        2.2755310735        0.1204054242
H             2.4212722762        2.8628331796        0.1832507465
H             2.9638334826        1.6439197528       -0.5922333388
O             0.5864860103        0.6726542944        2.4231122177
H             1.5551051629        0.6345900759        2.4865725595
H             0.3792399517        0.3840389994        1.5057389350
O            -3.0659346797       -0.8210705321       -2.2084555041
H            -2.8416121642        0.0512848469       -1.8396491556
H            -2.2781142945       -1.0715882623       -2.7235825754
    63
 Energy=    -106.839321144190
O             0.5608658682        1.1605928199       -3.5348105625
H             0.1207224040        1.9110411868       -3.1093043412
H             1.2889325135        0.9207585934       -2.9247513179
O            -0.5375341064        3.0724775784        2.1446750968
H            -1.4410990694        2.8032406230        1.9052424399
H            -0.0963798222        2.2335758848        2.4037746359
O            -0.4528101729        3.3526946769       -2.0638756472
H            -0.5403990112        4.1881319786       -2.5226642211
H             0.1092608299        3.5158264076       -1.2717369868
O             0.9163546451        3.8807917370        0.1750572345
H             0.3374725905        3.5521184760        0.9333085270
H             1.1454220453        4.7832665594        0.3985470563
O            -3.2157304188       -0.4290964094        2.1689014893
H            -2.4691637206       -0.7401141473        2.7284905292
H            -3.2622671548       -1.0428370869        1.4181215818
O            -2.0308417380        1.3793612301       -1.0084982793
H            -1.5893130478        2.1330408622       -1.4292510759
H            -2.4245407428        1.6988196859       -0.1723914263
O            -1.0289805944       -1.2286959047        3.5065451589
H            -0.4525736921       -0.4698963660        3.3020713207
H            -0.5431359152       -1.9986661456        3.1776077590
O             0.6406836582       -3.1456585017        2.3187166593
H             1.4720444158       -2.6918724092        2.0137345815
H             0.9161023497       -3.9906592293        2.6734810268
O            -0.6601221407       -2.6653298399        0.0137826235
H            -1.6291304724       -2.6223371364        0.1064975186
H            -0.2869637792       -2.9314486809        0.8754022400
O             3.0002096135       -2.1660495383       -1.3713800740
H             2.1404652432       -2.5236615434       -1.7352444933
H             3.6964871418       -2.7028398866       -1.7485635155
O             2.1953795202        0.4164052092       -1.5385494415
H             2.6526617290       -0.4404839466       -1.5664055733
H             1.4031291882        0.2520586258       -0.9741242783
O            -0.7333008171       -1.1191636362       -3.6489293087
H            -0.8531757239       -1.2888721382       -4.5834288936
H            -0.2742789573       -0.2365433813       -3.5894271995
O            -3.3130785431       -2.1905220444        0.0048737697
H            -3.2598385307       -1.6770739536       -0.8505529089
H            -4.0634568756       -2.7781983900       -0.0789070368
O             3.2878134548        0.5997919200        2.1231689306
H             4.0164699925        0.8377762065        2.6952480047
H             3.2960777322        1.2508784038        1.3654239679
O            -2.9820409163        2.0343016983        1.4123903057
H            -3.8210577871        2.4337302884        1.6409745283
H            -3.0358970211        1.0859211182        1.7432003874
O             2.8450498450       -2.0488720729        1.4005148294
H             3.0106338331       -1.1253539955        1.6529918430
H             2.8921295382       -2.0797164921        0.4290999644
O             0.0259672704       -0.0845696558       -0.0837812735
H            -0.7455954044        0.4010706828       -0.4448746177
H            -0.2100169232       -1.0389388408       -0.0956522159
O             0.7145993102       -3.0294543307       -2.2921384579
H             0.2557346039       -2.3624745945       -2.8345229215
H             0.1949055657       -3.0695984889       -1.4698004590
O             3.1934183446        2.2755076621        0.1204205766
H             2.4212467297        2.8627987135        0.1832707719
H             2.9638352712        1.6438993505       -0.5922291215
O             0.5864966053        0.6726635601        2.4231168131
H             1.5551101763        0.6345858993        2.4865684398
H             0.3792356049        0.3840607670        1.5057215818
O            -3.0659334791       -0.8211034325       -2.2084330326
H            -2.8416322884        0.0512608418       -1.8396244531
H            -2.2781176689       -1.0715894296       -2.7235795786
    63
 Energy=    -106.839321089310
O             0.5608971229        1.1605721587       -3.5349041056
H             0.1207599313        1.9110239670       -3.1093982817
H             1.2889718954        0.9207316074       -2.9248456411
O            -0.5375280398        3.0724602026        2.1447369025
H            -1.4410757747        2.8031990028        1.9052406009
H            -0.0963673611        2.2335674930        2.4038442333
O            -0.4527831719        3.3526417882       -2.0638800629
H            -0.5401803442        4.1880163474       -2.5228179495
H             0.1092532407        3.5158030932       -1.2717180558
O             0.9162761038        3.8807418008        0.1750367333
H             0.3374599383        3.5520266265        0.9333220111
H             1.1454144386        4.7831814299        0.3985939326
O            -3.2156650282       -0.4290673431        2.1688714078
H            -2.4690979191       -0.7401070076        2.7284387852
H            -3.2622762661       -1.0428694365        1.4181476258
O            -2.0308363620        1.3793784891       -1.0085112660
H            -1.5893238622        2.1330310638       -1.4293210213
H            -2.4245339157        1.6988818412       -0.1724214684
O            -1.0289774382       -1.2287038293        3.5064595595
H            -0.4525116971       -0.4699293384        3.3020455358
H            -0.5431079500       -1.9987007752        3.1776079248
O             0.6407546626       -3.1456665132        2.3187057990
H             1.4721062282       -2.6918984574        2.0137096657
H             0.9161441298       -3.9906785525        2.6733679578
O            -0.6600640092       -2.6651793998        0.0138192894
H            -1.6290836545       -2.6222656111        0.1065406466
H            -0.2868590281       -2.9313490375        0.8754067544
O             3.0000963062       -2.1660002681       -1.3713248380
H             2.1403365354       -2.5235598011       -1.7352026731
H             3.6963389235       -2.7027641907       -1.7485946241
O             2.1953406477        0.4164115470       -1.5385686085
H             2.6525844776       -0.4404907857       -1.5664364471
H             1.4031179820        0.2521524937       -0.9740862180
O            -0.7333947696       -1.1191185460       -3.6489409263
H            -0.8530513194       -1.2889242412       -4.5834557474
H            -0.2742921211       -0.2365209250       -3.5894215476
O            -3.3130152467       -2.1905520919        0.0049276666
H            -3.2598272394       -1.6771062371       -0.8504977457
H            -4.0633739928       -2.7782703944       -0.0788502138
O             3.2877906094        0.5997416034        2.1232203595
H             4.0163178414        0.8378456272        2.6954284812
H             3.2960608859        1.2508337477        1.3654905660
O            -2.9820427643        2.0342962790        1.4123224750
H            -3.8210715141        2.4337215308        1.6408725964
H            -3.0358818781        1.0859255030        1.7431798310
O             2.8451456620       -2.0489362051        1.4005186260
H             3.0107223602       -1.1254211563        1.6530048444
H             2.8921203471       -2.0797346452        0.4290932377
O             0.0259751000       -0.0844540756       -0.0837924661
H            -0.7456037681        0.4011668102       -0.4449145754
H            -0.2100130571       -1.0388126518       -0.0956171396
O             0.7145067614       -3.0293984249       -2.2921175359
H             0.2556745540       -2.3623834398       -2.8344878333
H             0.1948028160       -3.0695068868       -1.4697777360
O             3.1933934531        2.2754735824        0.1204387366
H             2.4211910777        2.8627114892        0.1833318017
H             2.9637845245        1.6438407898       -0.5921809529
O             0.5865041493        0.6726419104        2.4231263872
H             1.5551316213        0.6345685133        2.4865481883
H             0.3792077554        0.3841006577        1.5057425721
O            -3.0659804552       -0.8211448880       -2.2083911769
H            -2.8416844075        0.0512224880       -1.8396137582
H            -2.2781666244       -1.0716387269       -2.7235416391
    63
 Energy=    -106.839320398170
O             0.5617457789        1.1604821187       -3.5354557737
H             0.1212527956        1.9106624281       -3.1097987814
H             1.2896940861        0.9206525137       -2.9252389229
O            -0.5378857967        3.0724529067        2.1446387413
H            -1.4414515035        2.8031470626        1.9053116324
H            -0.0966340266        2.2336899403        2.4039779392
O            -0.4524945796        3.3525263104       -2.0645282322
H            -0.5384751309        4.1875785154       -2.5243122826
H             0.1093092053        3.5156319251       -1.2722038488
O             0.9160715701        3.8806201650        0.1749045551
H             0.3370427419        3.5521175313        0.9330796859
H             1.1456006590        4.7829650124        0.3984682168
O            -3.2156807932       -0.4292088902        2.1689876762
H            -2.4689911942       -0.7402498683        2.7283930266
H            -3.2625075490       -1.0431174065        1.4183713837
O            -2.0313230947        1.3797398969       -1.0085625459
H            -1.5900838398        2.1333785313       -1.4296729230
H            -2.4249909858        1.6993481890       -0.1724917808
O            -1.0287054925       -1.2290222213        3.5059978921
H            -0.4522053230       -0.4701695650        3.3019752534
H            -0.5426760800       -1.9989825532        3.1773339331
O             0.6411828736       -3.1465037918        2.3187949575
H             1.4726651688       -2.6928905400        2.0138980123
H             0.9161554636       -3.9918530505        2.6730085107
O            -0.6600333382       -2.6641978260        0.0142544308
H            -1.6290564034       -2.6216764339        0.1070632975
H            -0.2867066259       -2.9308797205        0.8756230863
O             2.9996491457       -2.1660450634       -1.3716427361
H             2.1398975076       -2.5235700912       -1.7355762166
H             3.6959508268       -2.7024407512       -1.7493429454
O             2.1957113293        0.4166285127       -1.5387967638
H             2.6526232009       -0.4404622005       -1.5665230900
H             1.4034341487        0.2527394823       -0.9742781971
O            -0.7334488096       -1.1186586342       -3.6489509498
H            -0.8526555720       -1.2890853286       -4.5834129513
H            -0.2740505114       -0.2361876953       -3.5897711903
O            -3.3134431102       -2.1912988739        0.0052065872
H            -3.2603286226       -1.6777546375       -0.8501395101
H            -4.0635208989       -2.7793686211       -0.0786786664
O             3.2880813597        0.5995220327        2.1234166025
H             4.0152080063        0.8393671520        2.6966889118
H             3.2962000539        1.2504189498        1.3655133973
O            -2.9825442689        2.0343070182        1.4122518314
H            -3.8217846630        2.4334685741        1.6404623193
H            -3.0362270592        1.0859262848        1.7430388622
O             2.8456596634       -2.0496831653        1.4006285819
H             3.0114323249       -1.1263042608        1.6533909176
H             2.8922194721       -2.0802393138        0.4291912349
O             0.0262336502       -0.0834181185       -0.0836916232
H            -0.7453887453        0.4021336547       -0.4447666924
H            -0.2097912074       -1.0377525094       -0.0953297523
O             0.7137686668       -3.0291475688       -2.2921861718
H             0.2549575631       -2.3620380163       -2.8344865542
H             0.1942963969       -3.0689750433       -1.4696911713
O             3.1932717355        2.2755133379        0.1207672018
H             2.4208671964        2.8624901669        0.1836697222
H             2.9641010335        1.6440594641       -0.5921198889
O             0.5869487230        0.6727678780        2.4236212279
H             1.5555989551        0.6344806484        2.4869882077
H             0.3796842724        0.3845677273        1.5061284471
O            -3.0662667423       -0.8212013678       -2.2078175566
H            -2.8420996976        0.0511039273       -1.8388112989
H            -2.2785528071       -1.0713471286       -2.7232577873
    63
 Energy=    -106.839319006930
O             0.5622138194        1.1597361709       -3.5352730702
H             0.1221113377        1.9103741787       -3.1097529717
H             1.2900825640        0.9199081276       -2.9250824118
O            -0.5388483873        3.0725483068        2.1442376019
H            -1.4423347871        2.8028492878        1.9051656582
H            -0.0972891824        2.2341214138        2.4039405513
O            -0.4514851231        3.3523550413       -2.0658351093
H            -0.5335726883        4.1868675363       -2.5274935801
H             0.1096659757        3.5149843754       -1.2730675800
O             0.9156694257        3.8805082223        0.1746558384
H             0.3367735200        3.5518022814        0.9327860414
H             1.1441481765        4.7831467420        0.3980703129
O            -3.2160810553       -0.4300905081        2.1690739598
H            -2.4689425655       -0.7410571497        2.7278268163
H            -3.2634960870       -1.0439929847        1.4185153453
O            -2.0310394971        1.3807627143       -1.0083193460
H            -1.5902127271        2.1345650150       -1.4294715666
H            -2.4250108232        1.7000329939       -0.1722817640
O            -1.0279469248       -1.2296464474        3.5050850827
H            -0.4512230248       -0.4709393408        3.3011149084
H            -0.5418117915       -1.9998161904        3.1771246402
O             0.6412719452       -3.1480963016        2.3183596559
H             1.4728693068       -2.6945771126        2.0136033023
H             0.9161545761       -3.9935820925        2.6722676028
O            -0.6603506940       -2.6624384574        0.0148455693
H            -1.6294131238       -2.6208971910        0.1073426072
H            -0.2871271473       -2.9299568525        0.8759471161
O             3.0000032105       -2.1664284463       -1.3721420302
H             2.1398061889       -2.5237227564       -1.7351339173
H             3.6957683239       -2.7021635393       -1.7515735324
O             2.1966269789        0.4168031833       -1.5382843174
H             2.6533500559       -0.4403485258       -1.5658507470
H             1.4042631968        0.2531380747       -0.9738550469
O            -0.7341396781       -1.1189408722       -3.6490440896
H            -0.8555227298       -1.2879686405       -4.5834471633
H            -0.2742032797       -0.2368125906       -3.5896534740
O            -3.3143101173       -2.1920954656        0.0054749441
H            -3.2609990593       -1.6778976097       -0.8494206233
H            -4.0640256427       -2.7804377790       -0.0793084632
O             3.2881666043        0.5997731029        2.1237908362
H             4.0146822434        0.8399728970        2.6975692682
H             3.2964077592        1.2508204176        1.3660582270
O            -2.9839199587        2.0338329409        1.4127971198
H            -3.8232972235        2.4325522462        1.6413257157
H            -3.0371336839        1.0854330435        1.7434729043
O             2.8458146927       -2.0500140250        1.4002460817
H             3.0118090208       -1.1266623824        1.6528673438
H             2.8931181512       -2.0806397083        0.4288600456
O             0.0266103074       -0.0819396636       -0.0834683060
H            -0.7450165134        0.4036607668       -0.4445109249
H            -0.2097321961       -1.0361954152       -0.0946671116
O             0.7132978556       -3.0292432378       -2.2912641608
H             0.2545442112       -2.3626076244       -2.8341516766
H             0.1940529634       -3.0681075980       -1.4685621641
O             3.1937037030        2.2763077844        0.1211389394
H             2.4210975960        2.8630819498        0.1834658560
H             2.9649337899        1.6446426593       -0.5916575003
O             0.5868567778        0.6734564123        2.4236363585
H             1.5555136753        0.6353991013        2.4868242798
H             0.3795745818        0.3858347427        1.5059316774
O            -3.0660044180       -0.8210448676       -2.2068564590
H            -2.8416512379        0.0513689525       -1.8382883814
H            -2.2783100641       -1.0715217031       -2.7221952351
    63
 Energy=    -106.839318436290
O             0.5631714021        1.1598365655       -3.5349794733
H             0.1229485446        1.9102367054       -3.1095355446
H             1.2911881820        0.9199025951       -2.9248640016
O            -0.5394652362        3.0726990566        2.1429301701
H            -1.4431928742        2.8030225410        1.9047322332
H            -0.0978830484        2.2342936243        2.4030016735
O            -0.4515607330        3.3523176685       -2.0663636020
H            -0.5337189706        4.1865236666       -2.5282934879
H             0.1100244112        3.5154036422       -1.2738049979
O             0.9155193562        3.8803008376        0.1736315031
H             0.3361252895        3.5516525837        0.9314492323
H             1.1435594116        4.7831091971        0.3968281344
O            -3.2162824959       -0.4307479621        2.1692573158
H            -2.4689589597       -0.7417257684        2.7278332511
H            -3.2641196275       -1.0447227632        1.4187877498
O            -2.0311206911        1.3810743481       -1.0074696461
H            -1.5906140299        2.1349514787       -1.4289858548
H            -2.4252496476        1.7003258712       -0.1716184458
O            -1.0274360025       -1.2298625774        3.5041630058
H            -0.4510560575       -0.4709597566        3.2998807143
H            -0.5411948049       -2.0000442875        3.1764104200
O             0.6417051083       -3.1487608902        2.3184179276
H             1.4730585695       -2.6950825541        2.0136333673
H             0.9164256952       -3.9945274644        2.6717391322
O            -0.6607158489       -2.6616898307        0.0153744267
H            -1.6298322095       -2.6203183439        0.1079552966
H            -0.2872755802       -2.9297554212        0.8762920462
O             3.0001192621       -2.1668811141       -1.3718742528
H             2.1395638510       -2.5236559496       -1.7347647528
H             3.6954418738       -2.7026816873       -1.7521100695
O             2.1974296214        0.4164518198       -1.5381060735
H             2.6537756377       -0.4409837961       -1.5657873768
H             1.4048458220        0.2532508014       -0.9738592283
O            -0.7339606855       -1.1182783259       -3.6487233327
H            -0.8567656073       -1.2863112840       -4.5830644619
H            -0.2736235859       -0.2362711898       -3.5892523231
O            -3.3148742490       -2.1927114655        0.0054728041
H            -3.2611763459       -1.6779303063       -0.8490851154
H            -4.0643095163       -2.7813414696       -0.0801337263
O             3.2879899241        0.5995360529        2.1235355172
H             4.0146037605        0.8388856003        2.6975763797
H             3.2966178336        1.2510420986        1.3662093648
O            -2.9846561387        2.0331465120        1.4133419894
H            -3.8237840252        2.4318952272        1.6426617129
H            -3.0377793315        1.0845791121        1.7436274425
O             2.8457008705       -2.0504720053        1.4004268710
H             3.0109092173       -1.1269096790        1.6529423594
H             2.8933380480       -2.0814924367        0.4290327815
O             0.0268866528       -0.0814330321       -0.0836524646
H            -0.7446306061        0.4043476479       -0.4447000001
H            -0.2097343357       -1.0356479595       -0.0942478959
O             0.7131126688       -3.0285838502       -2.2902554419
H             0.2548766661       -2.3621468564       -2.8336924806
H             0.1934411670       -3.0669134458       -1.4677523096
O             3.1941086531        2.2763395889        0.1212467710
H             2.4216073523        2.8632418627        0.1833502276
H             2.9655718366        1.6445092482       -0.5915371525
O             0.5868527772        0.6743971705        2.4231831693
H             1.5555098575        0.6357559029        2.4864247748
H             0.3794897133        0.3868070385        1.5054976840
O            -3.0653811000       -0.8206791508       -2.2062201624
H            -2.8411099293        0.0516698035       -1.8373539546
H            -2.2775456637       -1.0712256455       -2.7212503397
    63
 Energy=    -106.839316901520
O             0.5632820112        1.1585337917       -3.5343013286
H             0.1226586606        1.9085808995       -3.1084590412
H             1.2914946892        0.9188969793       -2.9243009262
O            -0.5405502903        3.0728626387        2.1427273935
H            -1.4441642837        2.8027556132        1.9044698465
H            -0.0986576708        2.2347249700        2.4028540608
O            -0.4502468093        3.3520990880       -2.0670526551
H            -0.5291050156        4.1853871987       -2.5313114488
H             0.1105394417        3.5153241028       -1.2740151770
O             0.9151867753        3.8800509741        0.1737705694
H             0.3352882682        3.5514480614        0.9311710385
H             1.1421132746        4.7832314917        0.3966870124
O            -3.2163815366       -0.4314843321        2.1696073509
H            -2.4686206924       -0.7422630521        2.7277223942
H            -3.2643111750       -1.0454863238        1.4191453655
O            -2.0310126528        1.3820497689       -1.0074753352
H            -1.5907889285        2.1360582919       -1.4288372443
H            -2.4253886506        1.7009569340       -0.1714667890
O            -1.0270354817       -1.2303952842        3.5032359027
H            -0.4509702302       -0.4712504573        3.2989387372
H            -0.5404872740       -2.0003274823        3.1753063412
O             0.6421759688       -3.1492165057        2.3175353053
H             1.4735413341       -2.6950045451        2.0131872995
H             0.9174689303       -3.9951639821        2.6700571765
O            -0.6611561793       -2.6602999161        0.0159698307
H            -1.6302694120       -2.6196424518        0.1086985454
H            -0.2874280064       -2.9293005134        0.8764368820
O             3.0002453490       -2.1665448113       -1.3722517781
H             2.1395454999       -2.5235017279       -1.7345071395
H             3.6955882702       -2.7019591386       -1.7531136867
O             2.1981065286        0.4165367881       -1.5376345386
H             2.6539266234       -0.4412215584       -1.5651463058
H             1.4055072615        0.2536747647       -0.9733620655
O            -0.7346586477       -1.1188488396       -3.6481527403
H            -0.8589258943       -1.2861991554       -4.5825159822
H            -0.2734927805       -0.2373054007       -3.5887190097
O            -3.3154962125       -2.1926428009        0.0054818215
H            -3.2613526516       -1.6779262662       -0.8491420101
H            -4.0644439150       -2.7817798866       -0.0808623121
O             3.2873984929        0.5994963727        2.1232875898
H             4.0141872207        0.8378719870        2.6975945105
H             3.2968143542        1.2512006396        1.3661558640
O            -2.9849291964        2.0324250837        1.4133511778
H            -3.8239273177        2.4311695929        1.6431541155
H            -3.0378723821        1.0837744347        1.7434635905
O             2.8458481753       -2.0502311006        1.4002413206
H             3.0101153021       -1.1264648476        1.6524336994
H             2.8933062107       -2.0813158559        0.4289119177
O             0.0270349660       -0.0806459910       -0.0837330059
H            -0.7444129635        0.4051901003       -0.4447427071
H            -0.2100308121       -1.0347595802       -0.0941529858
O             0.7127119187       -3.0285444555       -2.2897277044
H             0.2546454502       -2.3624519979       -2.8338011542
H             0.1931281738       -3.0656920067       -1.4671030896
O             3.1945813718        2.2768267064        0.1214568074
H             2.4218738258        2.8633970579        0.1839089388
H             2.9659125443        1.6449616285       -0.5912241640
O             0.5866319051        0.6743863708        2.4233768650
H             1.5553036488        0.6362766084        2.4866901525
H             0.3795830962        0.3871163533        1.5054819897
O            -3.0651330852       -0.8201071070       -2.2051626387
H            -2.8406127636        0.0522196521       -1.8363767726
H            -2.2773715318       -1.0707499713       -2.7203501996
    63
 Energy=    -106.839265204420
O             0.5616750554        1.1532287275       -3.5295558960
H             0.1205079313        1.9034590848       -3.1043223906
H             1.2912649013        0.9162250715       -2.9202225930
O            -0.5437787247        3.0743058832        2.1409989927
H            -1.4472586168        2.8035781008        1.9030651868
H            -0.1019905262        2.2365542523        2.4022711280
O            -0.4451188519        3.3534533199       -2.0722718556
H            -0.4961221136        4.1797310573       -2.5525332050
H             0.1126464043        3.5161415176       -1.2771703234
O             0.9147538858        3.8821555043        0.1730984939
H             0.3333404069        3.5534847283        0.9291058590
H             1.1423332306        4.7848554158        0.3974123539
O            -3.2190421600       -0.4362118285        2.1721073278
H            -2.4713512726       -0.7476415899        2.7298065935
H            -3.2671504463       -1.0489502052        1.4208186077
O            -2.0325426833        1.3864449846       -1.0079015208
H            -1.5952923677        2.1417324113       -1.4290880199
H            -2.4269724938        1.7030859708       -0.1710404099
O            -1.0271268877       -1.2356733155        3.5025741423
H            -0.4530681856       -0.4745535273        3.3001366810
H            -0.5382928559       -2.0037253564        3.1738632415
O             0.6479612852       -3.1477453682        2.3106841821
H             1.4789159697       -2.6922132325        2.0072885934
H             0.9229711168       -3.9973744429        2.6545330652
O            -0.6617646797       -2.6557236089        0.0145607696
H            -1.6309216232       -2.6161811305        0.1077653923
H            -0.2866403049       -2.9238483408        0.8747154305
O             3.0005802957       -2.1671607696       -1.3744730994
H             2.1394046366       -2.5246304817       -1.7354131884
H             3.6950556744       -2.7074050803       -1.7500750771
O             2.2002202671        0.4186092150       -1.5331480586
H             2.6551175410       -0.4393846407       -1.5626241802
H             1.4071266392        0.2553671036       -0.9694481854
O            -0.7380096156       -1.1226408669       -3.6400368617
H            -0.8556713322       -1.2932480841       -4.5745986220
H            -0.2765149995       -0.2413521023       -3.5803492048
O            -3.3171071565       -2.1931056663        0.0040974168
H            -3.2655749699       -1.6758140220       -0.8491439836
H            -4.0650673806       -2.7835252279       -0.0821328286
O             3.2859587333        0.5997774583        2.1241923905
H             4.0234300087        0.8246646240        2.6902403763
H             3.2957090622        1.2537848568        1.3692337780
O            -2.9877155808        2.0281793926        1.4152151066
H            -3.8278181729        2.4258305771        1.6428993586
H            -3.0403696467        1.0796621377        1.7454570723
O             2.8523502745       -2.0470128358        1.3966297842
H             3.0120837181       -1.1220530440        1.6484226552
H             2.8989091295       -2.0784506144        0.4251436829
O             0.0262005099       -0.0765632616       -0.0829612434
H            -0.7443181689        0.4102331195       -0.4445431812
H            -0.2115518206       -1.0304828213       -0.0957015540
O             0.7134151671       -3.0316973529       -2.2880052586
H             0.2533086310       -2.3662504149       -2.8317060869
H             0.1943684279       -3.0679710371       -1.4648102527
O             3.1952298134        2.2815328192        0.1252553968
H             2.4218918879        2.8672301080        0.1871405003
H             2.9678255557        1.6495003333       -0.5876051337
O             0.5830502640        0.6753762480        2.4262436702
H             1.5513636071        0.6382224584        2.4914887265
H             0.3775618873        0.3888036121        1.5079022388
O            -3.0733027195       -0.8150303480       -2.2044178941
H            -2.8465731321        0.0570602638       -1.8361907819
H            -2.2859913267       -1.0678921380       -2.7193678250
    63
 Energy=    -106.839226702590
O             0.5572749816        1.1504204051       -3.5283544612
H             0.1152316170        1.9000743813       -3.1028563571
H             1.2875695996        0.9135238358       -2.9195937426
O            -0.5434982464        3.0722174624        2.1426861037
H            -1.4467226670        2.8021020105        1.9042770300
H            -0.1019807415        2.2345210263        2.4055777094
O            -0.4418647749        3.3548086738       -2.0725492331
H            -0.4829976328        4.1783591727       -2.5589247794
H             0.1125400016        3.5184220090       -1.2752288980
O             0.9139843771        3.8839117865        0.1764424753
H             0.3344155611        3.5534317727        0.9330411756
H             1.1387148224        4.7872913463        0.4004500828
O            -3.2186322984       -0.4351382136        2.1718885986
H            -2.4709842303       -0.7470289496        2.7297054889
H            -3.2656843874       -1.0469941250        1.4200843843
O            -2.0319096810        1.3866309503       -1.0096935178
H            -1.5960040950        2.1425204196       -1.4308943270
H            -2.4259176392        1.7027554907       -0.1722035615
O            -1.0273827981       -1.2367542570        3.5040361824
H            -0.4527069057       -0.4760470772        3.3026509321
H            -0.5393130255       -2.0046311104        3.1732707422
O             0.6487564699       -3.1461992403        2.3095571622
H             1.4798904676       -2.6905873762        2.0062984952
H             0.9244932507       -3.9961399911        2.6517917023
O            -0.6618229680       -2.6541674278        0.0129326810
H            -1.6311331319       -2.6158151390        0.1064770663
H            -0.2865145612       -2.9223061614        0.8728705683
O             3.0011343257       -2.1673768703       -1.3752940188
H             2.1408547606       -2.5261577493       -1.7368262129
H             3.6965928095       -2.7052955138       -1.7524468363
O             2.1984838457        0.4186232018       -1.5329157167
H             2.6540766930       -0.4390218245       -1.5625578381
H             1.4059733917        0.2557578777       -0.9682265293
O            -0.7396553029       -1.1261780409       -3.6391399590
H            -0.8586506677       -1.2950173689       -4.5738737324
H            -0.2795145067       -0.2439918051       -3.5789388954
O            -3.3165235057       -2.1908728917        0.0038467745
H            -3.2663147310       -1.6757430156       -0.8507659893
H            -4.0643071678       -2.7818066679       -0.0802625747
O             3.2856634390        0.6006889444        2.1251048778
H             4.0218523422        0.8267109748        2.6923087654
H             3.2960745325        1.2547606092        1.3701838950
O            -2.9875372981        2.0282214284        1.4122036588
H            -3.8281565792        2.4254143221        1.6387868217
H            -3.0390746250        1.0804405448        1.7447535700
O             2.8524432570       -2.0461743534        1.3947014748
H             3.0127294534       -1.1215965703        1.6472108272
H             2.8993284601       -2.0771129164        0.4232730604
O             0.0262510857       -0.0744930606       -0.0813685806
H            -0.7443309005        0.4118955206       -0.4433302364
H            -0.2101610587       -1.0288089618       -0.0952487059
O             0.7133307706       -3.0355741756       -2.2880951174
H             0.2547242629       -2.3701544991       -2.8323157727
H             0.1948790997       -3.0695615989       -1.4644834650
O             3.1951849241        2.2820532534        0.1255903300
H             2.4222615911        2.8683027286        0.1886267665
H             2.9670722916        1.6508730320       -0.5876723693
O             0.5839992228        0.6743440976        2.4289917598
H             1.5525133352        0.6368725581        2.4928416601
H             0.3780382358        0.3882232952        1.5105034693
O            -3.0750896248       -0.8147135798       -2.2066765050
H            -2.8483052324        0.0571601760       -1.8387229101
H            -2.2871311888       -1.0691151761       -2.7199959665
    63
 Energy=    -106.839220104730
O             0.5561683667        1.1495387555       -3.5286743226
H             0.1141585922        1.8989920983       -3.1028944460
H             1.2865247465        0.9125209566       -2.9200276877
O            -0.5435481729        3.0716856525        2.1439222802
H            -1.4463184455        2.8011240889        1.9044645735
H            -0.1023400795        2.2340346937        2.4064872730
O            -0.4410632375        3.3550201364       -2.0721645846
H            -0.4786638858        4.1769752222       -2.5610437214
H             0.1128911958        3.5190744508       -1.2747674849
O             0.9145636848        3.8847193398        0.1779106136
H             0.3349796674        3.5537252403        0.9342598092
H             1.1370082382        4.7887656427        0.4016451537
O            -3.2181628400       -0.4345704684        2.1721533055
H            -2.4707770938       -0.7469010041        2.7296464581
H            -3.2652468982       -1.0462847471        1.4196725780
O            -2.0315967834        1.3865476128       -1.0102785891
H            -1.5959035080        2.1427410816       -1.4312205431
H            -2.4256019905        1.7023956794       -0.1727086396
O            -1.0275743092       -1.2370669798        3.5038463998
H            -0.4524764978       -0.4764549899        3.3037505776
H            -0.5396346350       -2.0048666843        3.1732039732
O             0.6494165483       -3.1454363360        2.3088847073
H             1.4806258101       -2.6897053438        2.0058744431
H             0.9250797115       -3.9955583846        2.6508193763
O            -0.6619098775       -2.6540666017        0.0121778116
H            -1.6309594407       -2.6156312475        0.1060110817
H            -0.2865788501       -2.9218562491        0.8724772168
O             3.0012629196       -2.1671155341       -1.3759025360
H             2.1413178948       -2.5270113602       -1.7370953489
H             3.6971349716       -2.7045709470       -1.7528204663
O             2.1978840205        0.4188118922       -1.5334194118
H             2.6532012144       -0.4389748971       -1.5624791195
H             1.4059224198        0.2561189895       -0.9680002259
O            -0.7405661077       -1.1269660343       -3.6389105703
H            -0.8600200352       -1.2954874373       -4.5736977078
H            -0.2799888013       -0.2449040417       -3.5788223695
O            -3.3164180870       -2.1900567071        0.0036869180
H            -3.2668536418       -1.6756989517       -0.8514527948
H            -4.0640101494       -2.7813225745       -0.0793956339
O             3.2859961019        0.6004458466        2.1249039786
H             4.0212303750        0.8272971391        2.6929602120
H             3.2959011090        1.2555551304        1.3708468169
O            -2.9872583022        2.0285915480        1.4121587073
H            -3.8286065802        2.4249031376        1.6375845922
H            -3.0390832095        1.0806704187        1.7441962671
O             2.8517616888       -2.0458061018        1.3940194972
H             3.0128492161       -1.1215407036        1.6470739818
H             2.8991727478       -2.0768075397        0.4226221993
O             0.0262050983       -0.0737513320       -0.0809407468
H            -0.7444821146        0.4122611883       -0.4429800340
H            -0.2098412928       -1.0280842971       -0.0947463252
O             0.7136639925       -3.0368686125       -2.2878628134
H             0.2552293008       -2.3711472277       -2.8319037185
H             0.1947995291       -3.0702974486       -1.4646383996
O             3.1950794712        2.2818184870        0.1258662363
H             2.4229066973        2.8688854889        0.1892004476
H             2.9666088009        1.6512799671       -0.5877684684
O             0.5842046586        0.6738725396        2.4299302372
H             1.5526020908        0.6364122371        2.4934207824
H             0.3781542600        0.3881725578        1.5116113489
O            -3.0759641723       -0.8150821096       -2.2076928059
H            -2.8494612179        0.0568674190       -1.8395293181
H            -2.2870837802       -1.0691741460       -2.7199415407
    63
 Energy=    -106.839092064130
O             0.5442701576        1.1466920422       -3.5209839226
H             0.1062989667        1.8970792190       -3.0923818618
H             1.2776729209        0.9104390692       -2.9160024618
O            -0.5408623633        3.0665299757        2.1470328466
H            -1.4435111790        2.7946572859        1.9050541803
H            -0.1000291292        2.2302216090        2.4133023390
O            -0.4379279658        3.3582282388       -2.0652731626
H            -0.4446065815        4.1683076339       -2.5749618853
H             0.1146664428        3.5241904684       -1.2672209975
O             0.9141758513        3.8909487216        0.1841335329
H             0.3367428456        3.5530006321        0.9388433045
H             1.1220609694        4.7983191777        0.4089514270
O            -3.2142443279       -0.4311237693        2.1700215539
H            -2.4670806468       -0.7440080370        2.7275932235
H            -3.2620608527       -1.0429734902        1.4173562604
O            -2.0327527360        1.3850817749       -1.0161465431
H            -1.5965777009        2.1428322005       -1.4328207284
H            -2.4282242202        1.6997935594       -0.1788420735
O            -1.0290023515       -1.2417564490        3.5055229875
H            -0.4538019298       -0.4793702705        3.3108697806
H            -0.5394947139       -2.0067829869        3.1721546680
O             0.6493711987       -3.1413550719        2.3044562207
H             1.4794178227       -2.6848379725        1.9993905168
H             0.9257275281       -3.9920715426        2.6445598057
O            -0.6585192151       -2.6491017843        0.0103099725
H            -1.6276786338       -2.6067343409        0.1022089820
H            -0.2865176569       -2.9185587156        0.8713394287
O             3.0021058662       -2.1658609830       -1.3801303309
H             2.1440943085       -2.5316955327       -1.7397513059
H             3.7013126671       -2.6991041899       -1.7572884246
O             2.1956276921        0.4191460482       -1.5342631569
H             2.6475193205       -0.4400141875       -1.5673869126
H             1.4059531771        0.2579643379       -0.9656401487
O            -0.7421382015       -1.1373475152       -3.6377050903
H            -0.8757662280       -1.3010742259       -4.5713175345
H            -0.2852926590       -0.2539255825       -3.5784749765
O            -3.3148256266       -2.1839011399        0.0026442219
H            -3.2685845985       -1.6702080214       -0.8530608576
H            -4.0631068754       -2.7748454713       -0.0766403376
O             3.2872968318        0.6008587131        2.1267944051
H             4.0163844242        0.8382977917        2.6986663117
H             3.2956400857        1.2525136778        1.3698821024
O            -2.9856732544        2.0285749822        1.4035208241
H            -3.8288435664        2.4245783760        1.6222441987
H            -3.0378701798        1.0819509634        1.7398843685
O             2.8538778638       -2.0437536346        1.3891470303
H             3.0174906209       -1.1202196058        1.6426695514
H             2.8980688992       -2.0738297691        0.4172796451
O             0.0269213531       -0.0692964760       -0.0750363411
H            -0.7417442221        0.4160183590       -0.4428208690
H            -0.2104539238       -1.0233196389       -0.0906975891
O             0.7181073507       -3.0465733980       -2.2880811969
H             0.2569813892       -2.3824449194       -2.8307468399
H             0.1999688272       -3.0793663810       -1.4638443289
O             3.1923658743        2.2812255692        0.1267777515
H             2.4229069300        2.8721666799        0.1892669916
H             2.9603143017        1.6500370037       -0.5857630473
O             0.5877917010        0.6689568673        2.4404461895
H             1.5564132536        0.6305261309        2.5005147540
H             0.3794988297        0.3861671139        1.5215714763
O            -3.0800486640       -0.8154148431       -2.2118629068
H            -2.8549242684        0.0579586389       -1.8465183396
H            -2.2883706980       -1.0716353144       -2.7192372023
    63
 Energy=    -106.838879366830
O             0.5300155979        1.1372285257       -3.5122549897
H             0.0921893809        1.8864622465       -3.0812815217
H             1.2662083959        0.9027933518       -2.9094352771
O            -0.5384704096        3.0613975728        2.1567818342
H            -1.4398491445        2.7917306063        1.9079451331
H            -0.0978442444        2.2235875237        2.4181496305
O            -0.4321200390        3.3610510225       -2.0622584257
H            -0.4039651744        4.1662384969       -2.5790913686
H             0.1142569690        3.5174484547       -1.2577398159
O             0.9094454774        3.8878127328        0.1936269146
H             0.3321520805        3.5510472262        0.9498175543
H             1.1161469046        4.7962134870        0.4153059620
O            -3.2083078788       -0.4265243701        2.1664777493
H            -2.4657532976       -0.7425870366        2.7281684936
H            -3.2579885143       -1.0413315874        1.4165191802
O            -2.0290612612        1.3867713387       -1.0251931422
H            -1.5968707507        2.1467765263       -1.4419897932
H            -2.4255489194        1.6997956513       -0.1871170487
O            -1.0305402668       -1.2429376238        3.5096375553
H            -0.4526847561       -0.4825167688        3.3171806721
H            -0.5424612525       -2.0092978432        3.1747746469
O             0.6490437812       -3.1412560451        2.3034096265
H             1.4789471653       -2.6852388628        1.9992083876
H             0.9251538058       -3.9915506993        2.6450051653
O            -0.6587524099       -2.6452572330        0.0048522203
H            -1.6277534629       -2.6051312845        0.0990712446
H            -0.2841205924       -2.9138669547        0.8651943767
O             3.0014719325       -2.1574826508       -1.3896065728
H             2.1440369831       -2.5273395140       -1.7468001744
H             3.7019160262       -2.6872152997       -1.7685611846
O             2.1912636377        0.4204766040       -1.5313359900
H             2.6471376132       -0.4369644611       -1.5649788313
H             1.4028760993        0.2566254895       -0.9604491071
O            -0.7497925007       -1.1516564605       -3.6394347187
H            -0.8852339005       -1.3106636239       -4.5736479295
H            -0.2943830322       -0.2676911635       -3.5756399522
O            -3.3126387349       -2.1791658470        0.0027227142
H            -3.2646673406       -1.6636562190       -0.8523809087
H            -4.0635334351       -2.7664371744       -0.0777644155
O             3.2911431876        0.6043100396        2.1265550219
H             4.0100936952        0.8568730255        2.7047359674
H             3.2917446671        1.2577082502        1.3709325482
O            -2.9792882895        2.0311072399        1.3931985296
H            -3.8227438871        2.4295653960        1.6071256136
H            -3.0328704712        1.0856454711        1.7325713183
O             2.8533981278       -2.0408858713        1.3848389802
H             3.0202955394       -1.1185874726        1.6421939190
H             2.9011382924       -2.0675903240        0.4138042951
O             0.0253201862       -0.0655334630       -0.0693287140
H            -0.7424432589        0.4187152373       -0.4403929022
H            -0.2075753695       -1.0207626397       -0.0919817222
O             0.7210836903       -3.0524696192       -2.2893265008
H             0.2553730197       -2.3979082771       -2.8400890750
H             0.2036579763       -3.0795619790       -1.4645202821
O             3.1871778515        2.2830514743        0.1253468845
H             2.4158895272        2.8707936500        0.1927234446
H             2.9549806828        1.6523352123       -0.5870128221
O             0.5892331485        0.6645640296        2.4446103071
H             1.5581337307        0.6285282130        2.5042176199
H             0.3803469722        0.3829467845        1.5253756265
O            -3.0791413297       -0.8126557946       -2.2091752491
H            -2.8451859360        0.0610461271       -1.8494567020
H            -2.2931711818       -1.0781652397       -2.7203245232
    63
 Energy=    -106.838764787710
O             0.5211291038        1.1293029995       -3.5080192481
H             0.0840194988        1.8797441216       -3.0787050485
H             1.2590661740        0.8967168368       -2.9067580374
O            -0.5395964467        3.0594314275        2.1640763675
H            -1.4392367400        2.7903626892        1.9098218409
H            -0.0978339167        2.2201022940        2.4208036847
O            -0.4301580529        3.3628924709       -2.0620471567
H            -0.3870558266        4.1666457439       -2.5799485499
H             0.1151204886        3.5126451438       -1.2556734043
O             0.9071396172        3.8836640562        0.1981932716
H             0.3311613873        3.5495909030        0.9568456849
H             1.1172125982        4.7919723609        0.4168640574
O            -3.2076676125       -0.4243226257        2.1663650793
H            -2.4650977124       -0.7397063050        2.7285002748
H            -3.2560180691       -1.0387085225        1.4159418199
O            -2.0245143784        1.3892526991       -1.0290270139
H            -1.5968408990        2.1506717357       -1.4474410884
H            -2.4213376493        1.7025276256       -0.1913259281
O            -1.0306416885       -1.2436504304        3.5127469043
H            -0.4519091579       -0.4837482120        3.3193894454
H            -0.5448537679       -2.0104309469        3.1766900499
O             0.6489474048       -3.1422308158        2.3024465342
H             1.4795508746       -2.6859558178        2.0002451863
H             0.9245603086       -3.9914115898        2.6461652608
O            -0.6577645754       -2.6450614437        0.0033258053
H            -1.6270341792       -2.6064062495        0.0959361412
H            -0.2824651741       -2.9136977726        0.8631765647
O             3.0023833835       -2.1556652202       -1.3921174707
H             2.1447160762       -2.5240375307       -1.7499800378
H             3.7030292984       -2.6816747265       -1.7764346688
O             2.1902233117        0.4220712432       -1.5306273043
H             2.6471373558       -0.4351449056       -1.5619080543
H             1.4027695492        0.2592978156       -0.9584736273
O            -0.7533431308       -1.1591314450       -3.6411634369
H            -0.8853342776       -1.3128596245       -4.5767132871
H            -0.3004583380       -0.2740556325       -3.5723778526
O            -3.3118228451       -2.1782349628        0.0027943964
H            -3.2632902939       -1.6609729538       -0.8512806427
H            -4.0644554432       -2.7634881103       -0.0787807356
O             3.2887211696        0.6108882705        2.1284519756
H             4.0072190112        0.8644587596        2.7068557599
H             3.2921558735        1.2608149464        1.3694952359
O            -2.9754874813        2.0325335070        1.3895572830
H            -3.8192127275        2.4310391073        1.6018536213
H            -3.0292823649        1.0871066144        1.7289079638
O             2.8536817463       -2.0395081962        1.3835924044
H             3.0204987602       -1.1181674875        1.6427295041
H             2.9015515609       -2.0652287771        0.4122247428
O             0.0247944579       -0.0658714940       -0.0703424044
H            -0.7426761590        0.4202824312       -0.4389421382
H            -0.2103426965       -1.0202083400       -0.0917281682
O             0.7201235281       -3.0551336200       -2.2909438189
H             0.2549744995       -2.4025256339       -2.8447172584
H             0.2027146322       -3.0781654807       -1.4661533266
O             3.1839662389        2.2852592708        0.1266223227
H             2.4105231859        2.8706892851        0.1951088883
H             2.9532589185        1.6548709421       -0.5866014266
O             0.5912040090        0.6626834984        2.4455941676
H             1.5606818997        0.6281788330        2.5030144630
H             0.3800363401        0.3822658614        1.5271467114
O            -3.0784082064       -0.8115448302       -2.2099299948
H            -2.8398540525        0.0604618681       -1.8487737670
H            -2.2937672939       -1.0807180574       -2.7210390370
    63
 Energy=    -106.838474230070
O             0.5097490140        1.1155317327       -3.5054805097
H             0.0752098655        1.8698794347       -3.0809511407
H             1.2505911244        0.8871723974       -2.9059846537
O            -0.5402842937        3.0574995637        2.1743277602
H            -1.4398056891        2.7891736610        1.9187639028
H            -0.1007115368        2.2174395252        2.4325546952
O            -0.4159132119        3.3613605831       -2.0662100339
H            -0.3646983552        4.1656740377       -2.5826069072
H             0.1168311264        3.5097372413       -1.2512320035
O             0.9043157836        3.8766446858        0.2059141105
H             0.3305676231        3.5450739586        0.9676696380
H             1.1208278319        4.7841273619        0.4216495480
O            -3.2044106166       -0.4182795366        2.1654393102
H            -2.4638377254       -0.7346206748        2.7297229559
H            -3.2539117598       -1.0344682924        1.4165811199
O            -2.0200413611        1.3936133236       -1.0317482109
H            -1.5939808227        2.1532702634       -1.4545522259
H            -2.4169699539        1.7092663566       -0.1946000490
O            -1.0320683912       -1.2435369548        3.5140821920
H            -0.4500923669       -0.4857591857        3.3221122509
H            -0.5468044047       -2.0113116891        3.1795549017
O             0.6495141517       -3.1415703808        2.3008585313
H             1.4805299186       -2.6862236590        1.9980587178
H             0.9236284645       -3.9902454375        2.6473866830
O            -0.6552876626       -2.6471549594        0.0036349343
H            -1.6246073761       -2.6105620449        0.0938400349
H            -0.2831020787       -2.9196692894        0.8637280486
O             3.0016553011       -2.1532180501       -1.3943534266
H             2.1445796309       -2.5233765964       -1.7516562594
H             3.7030572356       -2.6709312338       -1.7884102708
O             2.1886283633        0.4280544289       -1.5281955494
H             2.6446659384       -0.4295343246       -1.5610278503
H             1.4006052776        0.2654874860       -0.9565841197
O            -0.7607428242       -1.1699418657       -3.6485713365
H            -0.8852277223       -1.3190163960       -4.5859177767
H            -0.3084672483       -0.2849359317       -3.5713386271
O            -3.3114662174       -2.1780737336        0.0034129738
H            -3.2633327953       -1.6609308942       -0.8506931047
H            -4.0657822443       -2.7611212414       -0.0773390987
O             3.2881370566        0.6157147225        2.1284221593
H             4.0019468018        0.8732083874        2.7107271566
H             3.2912116386        1.2664190151        1.3700243157
O            -2.9699596235        2.0337228968        1.3864300861
H            -3.8135929411        2.4326948127        1.5979475281
H            -3.0251800660        1.0875792111        1.7250807164
O             2.8508332534       -2.0344623158        1.3840900927
H             3.0205943990       -1.1132654739        1.6416994900
H             2.8999905839       -2.0629225082        0.4130414583
O             0.0225783030       -0.0668829337       -0.0694683105
H            -0.7401713477        0.4231740581       -0.4425452136
H            -0.2160105795       -1.0203415798       -0.0918220103
O             0.7221257768       -3.0536353045       -2.2944702896
H             0.2535756497       -2.4049590921       -2.8501894435
H             0.2038133587       -3.0791965676       -1.4704792778
O             3.1820231710        2.2920382143        0.1276708282
H             2.4043460445        2.8714401897        0.2000211179
H             2.9516295757        1.6603043191       -0.5847440326
O             0.5911435765        0.6590262781        2.4455524631
H             1.5610507845        0.6310990990        2.4989390343
H             0.3796780082        0.3798902878        1.5268340458
O            -3.0763335261       -0.8117071537       -2.2084315333
H            -2.8356541559        0.0604843185       -1.8495084106
H            -2.2946746326       -1.0831889454       -2.7231516452
    63
 Energy=    -106.838396189370
O             0.5081118470        1.1151856976       -3.5042679710
H             0.0746973446        1.8702732487       -3.0802042185
H             1.2496228085        0.8879135664       -2.9050949864
O            -0.5394665242        3.0572518701        2.1744080968
H            -1.4399967884        2.7889143985        1.9185320460
H            -0.1006692489        2.2174814782        2.4328266647
O            -0.4159601999        3.3614708241       -2.0665352898
H            -0.3647148998        4.1658197262       -2.5827417800
H             0.1172890942        3.5095569903       -1.2516643908
O             0.9039305061        3.8759669800        0.2056314193
H             0.3302219404        3.5449618144        0.9675231068
H             1.1212821906        4.7832561281        0.4213147000
O            -3.2044848158       -0.4183003070        2.1650245496
H            -2.4637295004       -0.7344244522        2.7299512062
H            -3.2540262306       -1.0341764318        1.4170173515
O            -2.0197487421        1.3937657339       -1.0324161000
H            -1.5940066039        2.1538021977       -1.4547087214
H            -2.4167334410        1.7097428121       -0.1946626594
O            -1.0323885999       -1.2438889374        3.5140631394
H            -0.4496557578       -0.4853785732        3.3221416565
H            -0.5469742796       -2.0111551524        3.1796864296
O             0.6494827115       -3.1414841526        2.3007904132
H             1.4804021220       -2.6862696605        1.9981866403
H             0.9236147029       -3.9905564230        2.6474177008
O            -0.6560452536       -2.6471382550        0.0037569552
H            -1.6243890788       -2.6108388801        0.0940052419
H            -0.2832053641       -2.9199990713        0.8637504227
O             3.0017372262       -2.1538378247       -1.3941933380
H             2.1446251551       -2.5239949122       -1.7513790813
H             3.7030550895       -2.6709717002       -1.7890171812
O             2.1890443893        0.4280747735       -1.5284003796
H             2.6446101313       -0.4300598483       -1.5613480074
H             1.4010308394        0.2655675454       -0.9567749971
O            -0.7607855817       -1.1704883150       -3.6486855642
H            -0.8846717570       -1.3184307831       -4.5862084584
H            -0.3091400633       -0.2852685215       -3.5708155824
O            -3.3115063732       -2.1781181607        0.0033971767
H            -3.2629764304       -1.6609913780       -0.8509876834
H            -4.0655715416       -2.7609758948       -0.0772814978
O             3.2883964719        0.6158998918        2.1283251240
H             4.0017240934        0.8735317939        2.7109030439
H             3.2911344800        1.2666434646        1.3700972760
O            -2.9700160559        2.0336174754        1.3862881868
H            -3.8134817725        2.4325030094        1.5975908592
H            -3.0250723285        1.0876663214        1.7248620420
O             2.8507395112       -2.0345670442        1.3841897835
H             3.0207256098       -1.1130668962        1.6414329950
H             2.9003665497       -2.0634740084        0.4130822057
O             0.0222430024       -0.0669476505       -0.0695999353
H            -0.7398435032        0.4231741595       -0.4428547751
H            -0.2160552291       -1.0192958339       -0.0917002548
O             0.7225247530       -3.0533481340       -2.2950159347
H             0.2537783508       -2.4050247039       -2.8499921332
H             0.2041274227       -3.0796847009       -1.4706563344
O             3.1822435837        2.2923555030        0.1278159679
H             2.4033869440        2.8718015026        0.2002931148
H             2.9515765335        1.6608561069       -0.5843145524
O             0.5912083883        0.6585822323        2.4450764826
H             1.5611423088        0.6313259108        2.4990572760
H             0.3798031540        0.3799045422        1.5279364068
O            -3.0759854882       -0.8114771100       -2.2083122125
H            -2.8355511425        0.0605698907       -1.8498494752
H            -2.2945155537       -1.0830462737       -2.7231827017
    63
 Energy=    -106.838103492700
O             0.5057284369        1.1026345590       -3.5097735991
H             0.0724992841        1.8594156098       -3.0877232324
H             1.2458409141        0.8751667970       -2.9082824925
O            -0.5421739189        3.0570762038        2.1927534033
H            -1.4398876180        2.7898744666        1.9316456697
H            -0.1028843772        2.2149967362        2.4466877035
O            -0.3994073264        3.3578349944       -2.0696686148
H            -0.3397568162        4.1615312903       -2.5863052031
H             0.1248244571        3.5077442081       -1.2499895272
O             0.9003689902        3.8706165179        0.2162782825
H             0.3276791534        3.5392334663        0.9785232590
H             1.1229542030        4.7758183549        0.4342220023
O            -3.2028249950       -0.4163280942        2.1656895618
H            -2.4600382714       -0.7304600793        2.7289208443
H            -3.2502275125       -1.0316240305        1.4167448708
O            -2.0220416180        1.3989943560       -1.0378091757
H            -1.5856470512        2.1543484202       -1.4569469073
H            -2.4107751112        1.7151486405       -0.1973033259
O            -1.0309271060       -1.2442325205        3.5159655086
H            -0.4499083948       -0.4862905869        3.3223219535
H            -0.5483932168       -2.0125071359        3.1793529881
O             0.6479076771       -3.1405053871        2.3034273460
H             1.4760799428       -2.6837252174        1.9958290313
H             0.9269872091       -3.9885742711        2.6480852264
O            -0.6564565167       -2.6565358929        0.0008158535
H            -1.6242819004       -2.6145144143        0.0944406594
H            -0.2818959718       -2.9237057154        0.8629803339
O             3.0000730320       -2.1451055310       -1.3964555882
H             2.1437502751       -2.5200758043       -1.7501622366
H             3.7026175045       -2.6552479085       -1.7985974334
O             2.1826161420        0.4339853057       -1.5280445254
H             2.6392916522       -0.4227022718       -1.5617228334
H             1.3980360589        0.2698004652       -0.9526987695
O            -0.7700363626       -1.1829815464       -3.6601332494
H            -0.8877186310       -1.3309155631       -4.5987749386
H            -0.3169055797       -0.2987011506       -3.5806394092
O            -3.3118703790       -2.1793169638        0.0068563910
H            -3.2630708645       -1.6640737662       -0.8485478158
H            -4.0674161329       -2.7606616178       -0.0719683643
O             3.2893156703        0.6188164381        2.1259437628
H             3.9959804760        0.8800392202        2.7152655414
H             3.2915905405        1.2744315803        1.3714409871
O            -2.9655682992        2.0380660270        1.3849301505
H            -3.8090391184        2.4354395763        1.5980316009
H            -3.0196154316        1.0915978810        1.7221699617
O             2.8508776492       -2.0287248688        1.3852058505
H             3.0168563165       -1.1055884387        1.6387297169
H             2.8961645736       -2.0586129986        0.4145008141
O             0.0209301821       -0.0679607474       -0.0724204534
H            -0.7401864037        0.4238975097       -0.4464806622
H            -0.2171726785       -1.0220419387       -0.0916701375
O             0.7219453968       -3.0527817105       -2.2996690672
H             0.2506897393       -2.4045920665       -2.8536345120
H             0.2068330135       -3.0804046530       -1.4736913087
O             3.1812526604        2.2974716542        0.1312047148
H             2.4032987057        2.8744005956        0.2057908255
H             2.9536741658        1.6679308620       -0.5844736776
O             0.5893423600        0.6606333080        2.4433751801
H             1.5590537942        0.6321362467        2.4964833491
H             0.3752381361        0.3770309229        1.5257764704
O            -3.0760966497       -0.8117098059       -2.2065868446
H            -2.8334441885        0.0609206736       -1.8507533097
H            -2.2981187681       -1.0850725891       -2.7259531217
    63
 Energy=    -106.837980940320
O             0.5020322135        1.0920875576       -3.5128677448
H             0.0708653484        1.8521602887       -3.0964036041
H             1.2390391701        0.8655010675       -2.9082013197
O            -0.5421326553        3.0586470799        2.2131496078
H            -1.4395490527        2.7928801543        1.9476510334
H            -0.1033245839        2.2149217110        2.4605981160
O            -0.3851488577        3.3569985867       -2.0729591345
H            -0.3165328325        4.1567354558       -2.5950243888
H             0.1406219009        3.5025873585       -1.2540666321
O             0.8940639487        3.8630494503        0.2293461788
H             0.3188364911        3.5327009433        0.9906590843
H             1.1237853331        4.7651593791        0.4533474582
O            -3.1976448166       -0.4127999972        2.1638364023
H            -2.4571578868       -0.7293435319        2.7284072215
H            -3.2478840284       -1.0313820125        1.4172659333
O            -2.0172615441        1.4051127312       -1.0426314524
H            -1.5747874008        2.1589109816       -1.4588011613
H            -2.4066287286        1.7204913341       -0.2023693611
O            -1.0301472536       -1.2436287843        3.5168024525
H            -0.4488467712       -0.4865055147        3.3213286395
H            -0.5488991440       -2.0121607612        3.1779015426
O             0.6466164464       -3.1406448690        2.3035788857
H             1.4717485694       -2.6765330573        1.9993678958
H             0.9325168884       -3.9862745278        2.6486603415
O            -0.6582849415       -2.6604581022       -0.0011149305
H            -1.6265599018       -2.6213845088        0.0970334621
H            -0.2820474078       -2.9277493176        0.8589976691
O             2.9973920782       -2.1380375730       -1.3949264589
H             2.1424091550       -2.5134571118       -1.7511289534
H             3.7025931761       -2.6354718883       -1.8081451864
O             2.1821330028        0.4385510475       -1.5266247636
H             2.6366357691       -0.4201172684       -1.5626595731
H             1.3967282142        0.2758869619       -0.9519821812
O            -0.7790637506       -1.1950592751       -3.6767157860
H            -0.8925486499       -1.3501280000       -4.6147859983
H            -0.3258457970       -0.3119199849       -3.5945207342
O            -3.3103088286       -2.1810098522        0.0112440556
H            -3.2622728696       -1.6677993269       -0.8446319326
H            -4.0678984024       -2.7607913511       -0.0635739106
O             3.2857369262        0.6256438157        2.1269937477
H             3.9894774942        0.8845771212        2.7201946981
H             3.2955459825        1.2798298154        1.3712891538
O            -2.9606727183        2.0428812952        1.3849375170
H            -3.8053394091        2.4394984184        1.5989365756
H            -3.0147252275        1.0964387456        1.7208331311
O             2.8445011329       -2.0222873048        1.3844074523
H             3.0131866821       -1.0999086040        1.6367298094
H             2.8956260143       -2.0551958793        0.4137431092
O             0.0148096821       -0.0703600587       -0.0728920602
H            -0.7463447047        0.4181821184       -0.4514959310
H            -0.2175792362       -1.0252610921       -0.0956632445
O             0.7239293776       -3.0507667093       -2.3022682076
H             0.2468261795       -2.4065132185       -2.8559680841
H             0.2086385109       -3.0846473666       -1.4770225385
O             3.1839316632        2.3046398758        0.1329364548
H             2.4025118945        2.8784942306        0.2111354723
H             2.9578751915        1.6764376873       -0.5835116751
O             0.5873461199        0.6584685481        2.4435732091
H             1.5578594871        0.6308486453        2.4930080214
H             0.3708756204        0.3786780221        1.5263000267
O            -3.0772431744       -0.8124164810       -2.2044749565
H            -2.8332359687        0.0613367893       -1.8532771964
H            -2.3042680185       -1.0875662832       -2.7299757778
    63
 Energy=    -106.837347244060
O             0.5041245658        1.0735374797       -3.5262832734
H             0.0739380402        1.8355909944       -3.1126500685
H             1.2381221107        0.8469001845       -2.9167512398
O            -0.5454271379        3.0612151385        2.2361644167
H            -1.4444225107        2.7970427019        1.9734058125
H            -0.1051666848        2.2169587586        2.4777551109
O            -0.3598152045        3.3520647930       -2.0813161824
H            -0.2835540459        4.1507593194       -2.6037805597
H             0.1492789387        3.5035717547       -1.2537895521
O             0.8907841482        3.8588294623        0.2491067092
H             0.3157456675        3.5249216021        1.0083953660
H             1.1194153959        4.7586635407        0.4830547455
O            -3.1905750816       -0.4088294309        2.1611615124
H            -2.4533985066       -0.7291615742        2.7279339626
H            -3.2437154981       -1.0291578547        1.4161129781
O            -2.0149154746        1.4091175142       -1.0465072758
H            -1.5633643820        2.1601002661       -1.4576818589
H            -2.4042149046        1.7264340133       -0.2070286761
O            -1.0292642407       -1.2452459857        3.5179759990
H            -0.4491495042       -0.4873334916        3.3215134519
H            -0.5489724456       -2.0130057303        3.1760045344
O             0.6457986772       -3.1393604387        2.3032528936
H             1.4673923590       -2.6680929206        2.0002050025
H             0.9394315253       -3.9815231313        2.6499020398
O            -0.6544467555       -2.6674779068       -0.0045161360
H            -1.6227825076       -2.6244556443        0.0923189302
H            -0.2771184010       -2.9308072486        0.8562525703
O             2.9949860286       -2.1212798354       -1.3988665010
H             2.1418899831       -2.5006538920       -1.7548693158
H             3.7037647508       -2.6096553636       -1.8163445422
O             2.1774400202        0.4485493850       -1.5217625630
H             2.6340882031       -0.4093084297       -1.5538356253
H             1.3921691263        0.2828899878       -0.9482982949
O            -0.7891390963       -1.2041976966       -3.6934470124
H            -0.9008878797       -1.3763455904       -4.6284417007
H            -0.3309706094       -0.3220977439       -3.6280863949
O            -3.3102484688       -2.1853463767        0.0166929052
H            -3.2671001988       -1.6676243968       -0.8362437461
H            -4.0709431875       -2.7612005200       -0.0547477282
O             3.2831505085        0.6305564288        2.1278428078
H             3.9823532436        0.8881697909        2.7271990856
H             3.2961361808        1.2863907575        1.3735279300
O            -2.9546756010        2.0484850946        1.3852215601
H            -3.7972676571        2.4465771490        1.6013260644
H            -3.0085572476        1.1016602839        1.7203390751
O             2.8375784856       -2.0139290306        1.3840750582
H             3.0070513327       -1.0918913662        1.6378867706
H             2.8894518260       -2.0458247250        0.4137407808
O             0.0102121239       -0.0797585471       -0.0753201652
H            -0.7526158456        0.4094670721       -0.4486047700
H            -0.2221521331       -1.0348005199       -0.1010424253
O             0.7215222211       -3.0497345853       -2.3007368223
H             0.2400961538       -2.4148130291       -2.8611258590
H             0.2024675798       -3.0840910130       -1.4776189231
O             3.1916609773        2.3107257658        0.1280619307
H             2.4056339479        2.8771458768        0.2158342002
H             2.9611466428        1.6823230306       -0.5868080417
O             0.5844265257        0.6584947576        2.4390942613
H             1.5548736712        0.6272473015        2.4876656942
H             0.3652958399        0.3839559810        1.5209466931
O            -3.0818144248       -0.8156682962       -2.2007417111
H            -2.8321094321        0.0581730496       -1.8541828013
H            -2.3161306321       -1.0930893223       -2.7350316048
    63
 Energy=    -106.837267286550
O             0.5058499214        1.0715823712       -3.5302001157
H             0.0750586905        1.8334661934       -3.1169537689
H             1.2386823424        0.8464450285       -2.9194263110
O            -0.5461056182        3.0617328334        2.2386914118
H            -1.4448402693        2.7973850846        1.9754429248
H            -0.1058313414        2.2171097851        2.4792098426
O            -0.3547374315        3.3482704149       -2.0808872588
H            -0.2789007120        4.1472994189       -2.6029824566
H             0.1522819373        3.5002380240       -1.2520471509
O             0.8903871428        3.8598735559        0.2510742478
H             0.3161712788        3.5251482330        1.0106162955
H             1.1185681578        4.7600673757        0.4852645571
O            -3.1899488660       -0.4084366876        2.1609284825
H            -2.4529900652       -0.7290190577        2.7278460585
H            -3.2431534819       -1.0288480672        1.4159714489
O            -2.0157624467        1.4089947235       -1.0462321154
H            -1.5615215759        2.1589278404       -1.4574486279
H            -2.4045562423        1.7268020775       -0.2067514679
O            -1.0292518072       -1.2457880573        3.5181721629
H            -0.4491395879       -0.4874295425        3.3217723389
H            -0.5489110393       -2.0130878604        3.1760270743
O             0.6459807216       -3.1387189617        2.3032326489
H             1.4673719618       -2.6676047215        1.9993144585
H             0.9400410340       -3.9808871644        2.6501038871
O            -0.6542440113       -2.6684838736       -0.0046917082
H            -1.6225216373       -2.6253450536        0.0920988688
H            -0.2770708561       -2.9315147927        0.8560665588
O             2.9945074959       -2.1191163990       -1.3993961493
H             2.1415501567       -2.4989366481       -1.7555417013
H             3.7033922939       -2.6075390577       -1.8163039507
O             2.1764713171        0.4501512785       -1.5222561847
H             2.6345326770       -0.4071438704       -1.5519505155
H             1.3902330654        0.2851175441       -0.9497499463
O            -0.7897850390       -1.2038096165       -3.6950613279
H            -0.9036390979       -1.3795199597       -4.6296771844
H            -0.3303196133       -0.3222914031       -3.6302878485
O            -3.3103388092       -2.1854594414        0.0171895076
H            -3.2677523208       -1.6679877163       -0.8357191363
H            -4.0715705640       -2.7612572983       -0.0540613351
O             3.2825278118        0.6312013451        2.1275925440
H             3.9820337249        0.8885588104        2.7272087752
H             3.2961193040        1.2871410569        1.3734724030
O            -2.9536317573        2.0487991739        1.3853754804
H            -3.7969170334        2.4473838687        1.6021647935
H            -3.0080323288        1.1021864965        1.7202273640
O             2.8370340713       -2.0129660273        1.3835428143
H             3.0064606816       -1.0906258454        1.6381225812
H             2.8879989740       -2.0438231475        0.4132814010
O             0.0092370538       -0.0808801523       -0.0747223395
H            -0.7538563807        0.4084234683       -0.4477666629
H            -0.2223899048       -1.0357366040       -0.1009824763
O             0.7212814558       -3.0495527317       -2.3013134039
H             0.2392176402       -2.4153204402       -2.8614880698
H             0.2022185087       -3.0833158514       -1.4778069026
O             3.1915957390        2.3101694755        0.1289507885
H             2.4062577528        2.8780317376        0.2165363596
H             2.9603847091        1.6827248651       -0.5872125559
O             0.5837110299        0.6588409759        2.4385177783
H             1.5541424707        0.6273130568        2.4872104352
H             0.3648518831        0.3838888172        1.5203884664
O            -3.0824348217       -0.8163605912       -2.2004470949
H            -2.8323972817        0.0580136246       -1.8537841789
H            -2.3170899622       -1.0937243128       -2.7349553334
    63
 Energy=    -106.836681305380
O             0.5418444065        1.0431678942       -3.5817417925
H             0.0999793687        1.8045060707       -3.1820055865
H             1.2611744553        0.8251741911       -2.9505773245
O            -0.5514081129        3.0632465738        2.2688162464
H            -1.4493039047        2.8083841413        1.9939196820
H            -0.1190143802        2.2122770089        2.5011175158
O            -0.3267322989        3.3225783460       -2.0610640647
H            -0.2186667340        4.1113365288       -2.5917508058
H             0.1735229176        3.4801527466       -1.2305903482
O             0.8935472846        3.8711201666        0.2853900137
H             0.3179904214        3.5389225423        1.0441327220
H             1.1055825220        4.7785548279        0.5085133080
O            -3.1838918527       -0.4038145155        2.1582372130
H            -2.4478437115       -0.7231383226        2.7269365269
H            -3.2350260488       -1.0242489985        1.4130276871
O            -2.0139701667        1.3993263336       -1.0395020731
H            -1.5496175486        2.1393500505       -1.4569545544
H            -2.3989038248        1.7299196278       -0.2033622408
O            -1.0276241605       -1.2469040114        3.5204910456
H            -0.4487174361       -0.4898955558        3.3167756898
H            -0.5464260973       -2.0154801745        3.1809266630
O             0.6506126948       -3.1320162089        2.2954102120
H             1.4746697294       -2.6655752628        1.9890582394
H             0.9385418604       -3.9706621115        2.6545670086
O            -0.6588993000       -2.6738868756       -0.0019509295
H            -1.6274219969       -2.6391861086        0.0964790423
H            -0.2808841955       -2.9387657267        0.8586228320
O             2.9802037199       -2.0934373733       -1.4040629597
H             2.1325569392       -2.4767437832       -1.7698575940
H             3.6940897537       -2.5805647323       -1.8149409491
O             2.1573984845        0.4713274671       -1.5236927876
H             2.6278538168       -0.3793884954       -1.5298807713
H             1.3654748918        0.3015678034       -0.9590919110
O            -0.8044155417       -1.2171658992       -3.7054012806
H            -0.9310538985       -1.4093584758       -4.6353958434
H            -0.3228847364       -0.3465662020       -3.6584096688
O            -3.3107558640       -2.1874559248        0.0195673117
H            -3.2713016832       -1.6744471139       -0.8367231413
H            -4.0734541008       -2.7609040505       -0.0415224267
O             3.2757869865        0.6334300618        2.1301669191
H             3.9786697164        0.8924354728        2.7253786963
H             3.2942596906        1.2797909127        1.3677853813
O            -2.9496045141        2.0533714010        1.3889989434
H            -3.7887401429        2.4542915969        1.6152770291
H            -3.0042723063        1.1053431356        1.7208678819
O             2.8315626093       -1.9956648953        1.3762815996
H             3.0024727875       -1.0785501011        1.6470461286
H             2.8670517436       -2.0086603037        0.4045778459
O             0.0050137831       -0.0847061601       -0.0793633335
H            -0.7680785042        0.3986622319       -0.4433851865
H            -0.2208338071       -1.0407458896       -0.0960126001
O             0.7216848988       -3.0366247827       -2.3131317555
H             0.2271372906       -2.4131330998       -2.8748780501
H             0.2136078103       -3.0708366841       -1.4829270465
O             3.1966470614        2.3066585166        0.1254532505
H             2.4206591319        2.8859399294        0.2168259076
H             2.9497806157        1.6759161309       -0.5825707016
O             0.5735648657        0.6528222158        2.4309652930
H             1.5438336907        0.6386716391        2.4761862853
H             0.3551836267        0.3757296464        1.5127741861
O            -3.0880917195       -0.8182925727       -2.1981555655
H            -2.8327025532        0.0521179720       -1.8451494074
H            -2.3249073324       -1.0985151693       -2.7330121260
    63
 Energy=    -106.836247365770
O             0.5953054558        0.9893293556       -3.6722562153
H             0.1352534951        1.7612592298       -3.3182156760
H             1.2839238535        0.8113443103       -2.9945384289
O            -0.5532829464        3.0730199098        2.2960785593
H            -1.4477826549        2.8251836797        2.0022734933
H            -0.1242017374        2.2151993405        2.5094933583
O            -0.2241476768        3.2077262722       -2.0276288267
H            -0.1187618025        4.0131183395       -2.5321508951
H             0.2267810585        3.3731391851       -1.1701669858
O             0.9047998783        3.8906423487        0.3337813431
H             0.3404051817        3.5650737011        1.1042638974
H             1.0810765286        4.8154003984        0.5165455769
O            -3.1706223885       -0.3989281997        2.1537410250
H            -2.4425699987       -0.7259324314        2.7283536085
H            -3.2275499268       -1.0234266248        1.4127189599
O            -2.0252992727        1.3914120474       -1.0368125199
H            -1.5129453915        2.1094258728       -1.4400805419
H            -2.3991383995        1.7282219845       -0.1990911608
O            -1.0257658775       -1.2501057015        3.5245333024
H            -0.4492468148       -0.4911271051        3.3202382754
H            -0.5447362635       -2.0174811520        3.1825706799
O             0.6534961591       -3.1308299607        2.2987237732
H             1.4687883314       -2.6545058861        1.9861325443
H             0.9570790056       -3.9621775247        2.6630133787
O            -0.6633262854       -2.6887663056       -0.0115346459
H            -1.6306142256       -2.6449072266        0.0948261713
H            -0.2778410954       -2.9431796657        0.8479798352
O             2.9623901967       -2.0376354123       -1.4136791928
H             2.1165805499       -2.4292507086       -1.7778450892
H             3.6805039880       -2.5456751294       -1.7892804513
O             2.1184914525        0.5000705764       -1.5533892479
H             2.5854353826       -0.3558394934       -1.5768558307
H             1.3382782951        0.3247961028       -0.9772586009
O            -0.8169563045       -1.2213575056       -3.7134105882
H            -0.9833741522       -1.4198615070       -4.6366474777
H            -0.2977295673       -0.3699620519       -3.6910776978
O            -3.3141672726       -2.1979088106        0.0249437410
H            -3.2719660524       -1.6915025150       -0.8346146314
H            -4.0884281129       -2.7578176837       -0.0268451542
O             3.2625853305        0.6514130056        2.1352617274
H             3.9807610722        0.8955786199        2.7180958630
H             3.2850561192        1.2959487426        1.3706225167
O            -2.9513355154        2.0683451489        1.3987684653
H            -3.7904638046        2.4608700257        1.6390430929
H            -2.9954078616        1.1192147066        1.7263315182
O             2.8211564595       -1.9763249691        1.3608363994
H             2.9909400853       -1.0619507243        1.6425266828
H             2.8589342279       -1.9758751284        0.3886494958
O            -0.0125291339       -0.1016391659       -0.0776064295
H            -0.7819892845        0.3787463901       -0.4502169230
H            -0.2380252458       -1.0584843821       -0.1052611937
O             0.7208590130       -3.0094021847       -2.3193953861
H             0.2198508107       -2.3877750303       -2.8781408788
H             0.2019734490       -3.0695222429       -1.4975730066
O             3.1837591033        2.3154520992        0.1361584932
H             2.4285769875        2.9143951605        0.2608676036
H             2.9081177799        1.7079212157       -0.5818282189
O             0.5612987520        0.6608494017        2.4302547077
H             1.5314790031        0.6427568389        2.4796853142
H             0.3433355175        0.3767491897        1.5144902865
O            -3.0912852932       -0.8296009022       -2.1920823973
H            -2.8590155604        0.0460212159       -1.8362710323
H            -2.3202555029       -1.0891134842       -2.7265388852
    63
 Energy=    -106.836198359220
O             0.6041245348        0.9881103685       -3.6904802412
H             0.1389282393        1.7532210278       -3.3266891968
H             1.2885341364        0.8053308233       -3.0092099432
O            -0.5531732670        3.0748826159        2.2972658068
H            -1.4474570909        2.8269980752        2.0037537390
H            -0.1235163515        2.2173658561        2.5105190735
O            -0.2085536193        3.1928277672       -2.0200212573
H            -0.1073018114        3.9982675393       -2.5261445428
H             0.2399494255        3.3554059373       -1.1605700568
O             0.9078893861        3.8944823899        0.3394080393
H             0.3418605630        3.5687265450        1.1089246902
H             1.0773694102        4.8194114070        0.5175211534
O            -3.1697364463       -0.3987996592        2.1533754155
H            -2.4418662705       -0.7260704686        2.7279630700
H            -3.2270720841       -1.0235262988        1.4125783216
O            -2.0274422484        1.3905396800       -1.0356336785
H            -1.5072864386        2.1043665611       -1.4378033987
H            -2.4021930780        1.7306450467       -0.1994954923
O            -1.0254640527       -1.2511635832        3.5261085854
H            -0.4500591313       -0.4912375437        3.3224421848
H            -0.5443871975       -2.0174610292        3.1817574708
O             0.6535831713       -3.1311417508        2.2977006031
H             1.4674618194       -2.6521971356        1.9860815375
H             0.9604837894       -3.9610108692        2.6635707509
O            -0.6629578062       -2.6914524324       -0.0122024544
H            -1.6300921087       -2.6466057277        0.0937702119
H            -0.2777058147       -2.9455701720        0.8475413698
O             2.9598204887       -2.0316713878       -1.4145594110
H             2.1151442443       -2.4253128469       -1.7780651007
H             3.6794657711       -2.5421541899       -1.7867027358
O             2.1092209955        0.5044882227       -1.5568074856
H             2.5810818276       -0.3469605541       -1.5859858344
H             1.3326123969        0.3268975935       -0.9746875742
O            -0.8202198438       -1.2206815922       -3.7140341946
H            -0.9892423572       -1.4182304747       -4.6363743253
H            -0.2973742759       -0.3716700663       -3.6953262652
O            -3.3149759235       -2.1995851818        0.0261084205
H            -3.2726951693       -1.6925317657       -0.8327083406
H            -4.0909168903       -2.7575468790       -0.0259053991
O             3.2609902536        0.6531234397        2.1363752589
H             3.9818856611        0.8958965367        2.7182316942
H             3.2823598235        1.2979437068        1.3727233900
O            -2.9510889336        2.0698096919        1.3996648953
H            -3.7903095811        2.4615031682        1.6409739492
H            -2.9940989782        1.1209543739        1.7275751344
O             2.8195252910       -1.9740377340        1.3595558833
H             2.9891348145       -1.0594610600        1.6403360593
H             2.8582433061       -1.9746911300        0.3873244449
O            -0.0139370207       -0.1031801072       -0.0801417916
H            -0.7852420117        0.3768713779       -0.4493231953
H            -0.2384324234       -1.0600819902       -0.1060918753
O             0.7212244792       -3.0074957203       -2.3188907823
H             0.2201267781       -2.3857292458       -2.8773176481
H             0.1991065484       -3.0702822951       -1.4995426486
O             3.1818818334        2.3202628762        0.1368156378
H             2.4255405428        2.9176307008        0.2664009454
H             2.9027866046        1.7150745882       -0.5809746277
O             0.5606669324        0.6608822802        2.4311086786
H             1.5307949854        0.6426926341        2.4810641683
H             0.3427557170        0.3782430360        1.5150965418
O            -3.0918516104       -0.8314396667       -2.1922146957
H            -2.8627988234        0.0447263629       -1.8367021978
H            -2.3185940104       -1.0878440724       -2.7255212571
    63
 Energy=    -106.836062824410
O             0.6121013714        0.9903522160       -3.7096206461
H             0.1403241512        1.7453607797       -3.3348805536
H             1.2964021406        0.7940545922       -3.0274901760
O            -0.5529992415        3.0769601408        2.2987432350
H            -1.4468355195        2.8286531855        2.0051460024
H            -0.1228148862        2.2193415511        2.5117349053
O            -0.1933896709        3.1783199510       -2.0103603873
H            -0.0964815327        3.9830589434       -2.5210862226
H             0.2553564072        3.3362004967       -1.1508948817
O             0.9122703720        3.8977193413        0.3454806723
H             0.3421248515        3.5733372212        1.1123447736
H             1.0733555205        4.8239074703        0.5189848835
O            -3.1693648952       -0.3989474755        2.1533233276
H            -2.4409412311       -0.7260586492        2.7272863241
H            -3.2265435076       -1.0235734672        1.4122996899
O            -2.0300444568        1.3906088804       -1.0352761759
H            -1.5015664761        2.0976612953       -1.4344291369
H            -2.4049402297        1.7340327327       -0.2008294353
O            -1.0250628931       -1.2523650220        3.5281446514
H            -0.4510706428       -0.4914087155        3.3248516259
H            -0.5439894999       -2.0174040294        3.1806665061
O             0.6535430040       -3.1320717159        2.2966758067
H             1.4660352257       -2.6497101063        1.9858880264
H             0.9638346638       -3.9593609606        2.6638119864
O            -0.6626049311       -2.6946995143       -0.0127602194
H            -1.6295518153       -2.6487386350        0.0929352758
H            -0.2779235606       -2.9483182826        0.8474403605
O             2.9587751296       -2.0267204457       -1.4154141754
H             2.1135325174       -2.4206664327       -1.7780026970
H             3.6777960953       -2.5379059778       -1.7838663655
O             2.1024594038        0.5101029403       -1.5545955673
H             2.5752899982       -0.3368042526       -1.5966893362
H             1.3252949063        0.3282152851       -0.9732122923
O            -0.8243994792       -1.2202735647       -3.7132210058
H            -0.9937456277       -1.4142739960       -4.6350010203
H            -0.2982222758       -0.3742446173       -3.7019404738
O            -3.3161477920       -2.2015800830        0.0275000278
H            -3.2734291875       -1.6932113598       -0.8304904090
H            -4.0932368642       -2.7572040025       -0.0250503196
O             3.2610817317        0.6542112076        2.1387442179
H             3.9821466104        0.8958391309        2.7179878464
H             3.2789707018        1.2999838459        1.3751632757
O            -2.9504325446        2.0714912833        1.4009338041
H            -3.7901752774        2.4620306219        1.6426920480
H            -2.9929337396        1.1226064749        1.7285957428
O             2.8184556964       -1.9719409529        1.3584974177
H             2.9870664887       -1.0568269900        1.6374130139
H             2.8572188583       -1.9734383283        0.3861503921
O            -0.0160164952       -0.1039683416       -0.0812989362
H            -0.7879485924        0.3753889357       -0.4482996119
H            -0.2376751706       -1.0616938183       -0.1070419795
O             0.7208946405       -3.0071623855       -2.3186915247
H             0.2208118215       -2.3834868979       -2.8763669620
H             0.1965477590       -3.0706608986       -1.5014934125
O             3.1797634825        2.3254271829        0.1368244826
H             2.4214905029        2.9209590817        0.2713310279
H             2.8969362446        1.7229648603       -0.5810308764
O             0.5597452205        0.6608218652        2.4320357875
H             1.5301659529        0.6426257323        2.4822839858
H             0.3425279601        0.3796958434        1.5156917643
O            -3.0925009007       -0.8328301129       -2.1926441715
H            -2.8663557305        0.0429627636       -1.8375143042
H            -2.3164636628       -1.0865882141       -2.7246001314
    63
 Energy=    -106.835841549810
O             0.6190780526        0.9844220061       -3.7280742776
H             0.1318794843        1.7348300181       -3.3662781955
H             1.2856386410        0.7849183450       -3.0311698247
O            -0.5528155618        3.0813735240        2.3022078236
H            -1.4462559906        2.8302207720        2.0092720947
H            -0.1211890940        2.2250283591        2.5160449366
O            -0.1664061993        3.1427709769       -1.9955541389
H            -0.0721813399        3.9537629086       -2.4963781801
H             0.3030615258        3.2958295324       -1.1469734435
O             0.9203129025        3.8982910460        0.3530674008
H             0.3373614005        3.5786376215        1.1107617721
H             1.0659208262        4.8320436206        0.5159377973
O            -3.1677413446       -0.3981446157        2.1526696723
H            -2.4387260955       -0.7253800185        2.7257499398
H            -3.2265100452       -1.0234269320        1.4124162221
O            -2.0420833042        1.3912628960       -1.0358563209
H            -1.4895749134        2.0868654386       -1.4266914367
H            -2.4131545673        1.7437017746       -0.2044624430
O            -1.0250192855       -1.2556759505        3.5319280769
H            -0.4532696817       -0.4921141754        3.3326622104
H            -0.5428818464       -2.0170842750        3.1780274800
O             0.6540274043       -3.1314767665        2.2943526404
H             1.4633615438       -2.6443779491        1.9821939824
H             0.9708098591       -3.9557725750        2.6630349464
O            -0.6626425844       -2.6997512425       -0.0115932635
H            -1.6297539744       -2.6594944466        0.0934309477
H            -0.2802210192       -2.9594237949        0.8479973369
O             2.9594103319       -2.0244254489       -1.4129260100
H             2.1149300712       -2.4206592662       -1.7715011690
H             3.6771293793       -2.5373100653       -1.7824105666
O             2.0959808150        0.5313674125       -1.5536736599
H             2.5757994560       -0.3108146110       -1.6099614929
H             1.3135304747        0.3276815810       -0.9867705119
O            -0.8228466932       -1.2039249030       -3.7129289245
H            -1.0029318962       -1.4078569848       -4.6298152581
H            -0.2926852819       -0.3593078738       -3.7244181596
O            -3.3190072879       -2.2040511721        0.0301716593
H            -3.2755342105       -1.6933891851       -0.8259825736
H            -4.0979554735       -2.7572438481       -0.0235152520
O             3.2610940695        0.6555907855        2.1415148945
H             3.9844557204        0.8957676241        2.7193978506
H             3.2722869627        1.3062201806        1.3823333601
O            -2.9470681851        2.0747131735        1.4059103312
H            -3.7886692612        2.4632858772        1.6437070909
H            -2.9904241401        1.1241049273        1.7284358197
O             2.8161274348       -1.9676249031        1.3590764431
H             2.9822960593       -1.0492230331        1.6292588537
H             2.8528822105       -1.9764415195        0.3868511009
O            -0.0183697099       -0.1018023259       -0.0813458421
H            -0.7968551961        0.3714468000       -0.4431744740
H            -0.2267731486       -1.0618346486       -0.1104811210
O             0.7166208769       -3.0119879791       -2.3222570914
H             0.2224300620       -2.3811004936       -2.8761251235
H             0.1968734093       -3.0719057940       -1.5011280880
O             3.1681605058        2.3322385729        0.1413087910
H             2.4096024280        2.9267487286        0.2764790120
H             2.8905283077        1.7391969283       -0.5862664086
O             0.5573702388        0.6611781208        2.4300919306
H             1.5271021464        0.6416936811        2.4850429187
H             0.3454475902        0.3805129012        1.5125679008
O            -3.0951288932       -0.8360043828       -2.1927579380
H            -2.8736389051        0.0422112051       -1.8391740522
H            -2.3166839598       -1.0881285569       -2.7207485204
    63
 Energy=    -106.835378388350
O             0.6105183291        0.9818382144       -3.7350098866
H             0.1236004948        1.7397843456       -3.3840517467
H             1.2824763767        0.8001940651       -3.0392518079
O            -0.5529994257        3.0841635602        2.3041717834
H            -1.4466734033        2.8293704385        2.0143144627
H            -0.1194260656        2.2298336595        2.5205388471
O            -0.1325996245        3.1066335558       -1.9892250691
H            -0.0579080535        3.9238385002       -2.4810922029
H             0.3503721784        3.2552174429       -1.1480716828
O             0.9145262831        3.9076077359        0.3514443746
H             0.3333413830        3.5819651355        1.1101646391
H             1.0619747157        4.8361314724        0.5157559581
O            -3.1649004294       -0.3957316119        2.1513843575
H            -2.4377459033       -0.7245569065        2.7256989222
H            -3.2274877649       -1.0234085291        1.4133654231
O            -2.0519903965        1.3956901414       -1.0383967265
H            -1.4781545094        2.0782741777       -1.4193297051
H            -2.4211452044        1.7503292774       -0.2055617498
O            -1.0260091484       -1.2574276077        3.5324690059
H            -0.4540219826       -0.4926357747        3.3400587609
H            -0.5419905579       -2.0168818246        3.1764269628
O             0.6557847625       -3.1291071621        2.2928049852
H             1.4632841910       -2.6410440432        1.9764674562
H             0.9748345261       -3.9523450333        2.6611838408
O            -0.6644609146       -2.7041901698       -0.0095006812
H            -1.6319944551       -2.6713601451        0.0945644643
H            -0.2820573558       -2.9704088822        0.8478922103
O             2.9594696621       -2.0226212251       -1.4157846382
H             2.1158944677       -2.4265673318       -1.7677992293
H             3.6762650336       -2.5394040525       -1.7817036626
O             2.0914014255        0.5385720555       -1.5734433981
H             2.5907335686       -0.2947324874       -1.5902659254
H             1.3076800546        0.3425571875       -1.0072833262
O            -0.8162076551       -1.1904581820       -3.7167788415
H            -1.0154020606       -1.4093232173       -4.6272327807
H            -0.2908821972       -0.3401277819       -3.7408660005
O            -3.3211652326       -2.2043212449        0.0316910432
H            -3.2773548124       -1.6934127675       -0.8247301737
H            -4.1000142657       -2.7572536304       -0.0225096890
O             3.2601264219        0.6580463725        2.1416356186
H             3.9845330918        0.8964382080        2.7178083719
H             3.2690382855        1.3112809571        1.3846492621
O            -2.9438928320        2.0755264857        1.4073484137
H            -3.7860334542        2.4641816154        1.6434336648
H            -2.9881307046        1.1238715670        1.7269118495
O             2.8124713463       -1.9627268672        1.3576491246
H             2.9798121033       -1.0435762855        1.6252046282
H             2.8479789161       -1.9777496291        0.3854078570
O            -0.0212154600       -0.1004530053       -0.0826238614
H            -0.8116481700        0.3624001145       -0.4311562189
H            -0.2240487125       -1.0614625053       -0.1056851812
O             0.7174483140       -3.0136384483       -2.3234243189
H             0.2188518098       -2.3855308546       -2.8775016503
H             0.2006819604       -3.0748277037       -1.5010760841
O             3.1592973869        2.3361015624        0.1491237547
H             2.4033691865        2.9347220321        0.2818146282
H             2.8871132637        1.7468346681       -0.5833100900
O             0.5565224543        0.6629048799        2.4313017226
H             1.5259250879        0.6424073958        2.4887106039
H             0.3453687399        0.3795440458        1.5142836095
O            -3.0981189570       -0.8385915939       -2.1893874075
H            -2.8784859860        0.0423590924       -1.8420863280
H            -2.3200190235       -1.0919858557       -2.7180310596
    63
 Energy=    -106.834852826670
O             0.6047856025        1.0078719111       -3.7528746060
H             0.1202779602        1.7476863258       -3.3726345020
H             1.2999514652        0.8138346561       -3.0850421426
O            -0.5530193300        3.0855509862        2.3063637708
H            -1.4466548509        2.8281614986        2.0182215341
H            -0.1177519665        2.2324685292        2.5238214931
O            -0.0894864203        3.0683625987       -1.9894565894
H            -0.0506843906        3.8910752164       -2.4782118885
H             0.3818707340        3.2214223080       -1.1477779785
O             0.9074600531        3.9171585235        0.3516025540
H             0.3306442163        3.5899747544        1.1113048523
H             1.0591613482        4.8455154922        0.5236798430
O            -3.1635504855       -0.3942377771        2.1508950645
H            -2.4374487151       -0.7238513549        2.7259760621
H            -3.2280154339       -1.0233232000        1.4140996769
O            -2.0581390880        1.3989247687       -1.0412031766
H            -1.4678253640        2.0699526341       -1.4115469111
H            -2.4259809534        1.7544676158       -0.2060894962
O            -1.0267392001       -1.2579320478        3.5323359960
H            -0.4538750356       -0.4928945110        3.3449538157
H            -0.5414605710       -2.0164548493        3.1752288053
O             0.6574785062       -3.1268234276        2.2914751609
H             1.4643685833       -2.6395424739        1.9719113154
H             0.9772732090       -3.9499361104        2.6596772896
O            -0.6672032557       -2.7122014748       -0.0093613305
H            -1.6348090868       -2.6791729029        0.0952845620
H            -0.2832708563       -2.9770191799        0.8476134947
O             2.9579558258       -2.0217274430       -1.4166420290
H             2.1147131848       -2.4234944043       -1.7725454894
H             3.6757054846       -2.5383588860       -1.7811514943
O             2.0981643995        0.5433025700       -1.5826643710
H             2.5993135073       -0.2884556538       -1.5580403490
H             1.3017811590        0.3656575165       -1.0306880300
O            -0.8207144921       -1.1948752721       -3.7186864719
H            -1.0249607977       -1.4080275455       -4.6241456546
H            -0.3017760932       -0.3425390984       -3.7510851921
O            -3.3222784640       -2.2040790820        0.0326931264
H            -3.2777778606       -1.6940292251       -0.8240875557
H            -4.1009885080       -2.7573641963       -0.0219554059
O             3.2585027190        0.6596553349        2.1400412077
H             3.9839408074        0.8981473032        2.7152669702
H             3.2671376549        1.3135625501        1.3836536555
O            -2.9417752852        2.0755740447        1.4058764990
H            -3.7834741653        2.4645414913        1.6435372064
H            -2.9861094078        1.1238484927        1.7252099856
O             2.8096552125       -1.9590996731        1.3522911244
H             2.9787003134       -1.0413944179        1.6234728780
H             2.8434369645       -1.9715171668        0.3798056226
O            -0.0287817716       -0.1017609095       -0.0804087155
H            -0.8277278429        0.3534364906       -0.4172246426
H            -0.2301660041       -1.0629659150       -0.0941172360
O             0.7189733633       -3.0147386901       -2.3235211444
H             0.2149700397       -2.3913177215       -2.8785593180
H             0.2033528997       -3.0770575569       -1.5015250668
O             3.1551073673        2.3408697698        0.1528682908
H             2.4023128515        2.9433296769        0.2886100617
H             2.8783932479        1.7479197753       -0.5751879229
O             0.5565950608        0.6644429122        2.4379489456
H             1.5263994511        0.6447175531        2.4919748315
H             0.3416844738        0.3788541424        1.5225555523
O            -3.0996261476       -0.8402368733       -2.1880874393
H            -2.8803463631        0.0413809743       -1.8452401121
H            -2.3211383573       -1.0944817742       -2.7169795058
    63
 Energy=    -106.834198502580
O             0.6053335068        1.0279832880       -3.7793445845
H             0.1250041245        1.7522004109       -3.3554403145
H             1.2911062025        0.8481120688       -3.1144664199
O            -0.5538210962        3.0864870317        2.3091261076
H            -1.4465284610        2.8275082235        2.0214730955
H            -0.1156391236        2.2347899457        2.5262246144
O            -0.0529989793        3.0252009775       -2.0052060977
H            -0.0391139824        3.8613358241       -2.4704220914
H             0.4045515880        3.2007145436       -1.1514015780
O             0.9089549810        3.9270847362        0.3559459637
H             0.3261375702        3.5962403241        1.1104319281
H             1.0552980877        4.8508502148        0.5291107679
O            -3.1633488094       -0.3934544087        2.1506402174
H            -2.4371100183       -0.7232375585        2.7260628881
H            -3.2281392452       -1.0231349061        1.4145936291
O            -2.0657586824        1.4005062663       -1.0397130459
H            -1.4589537342        2.0659532996       -1.4059979063
H            -2.4303329602        1.7553000029       -0.2072337257
O            -1.0271017471       -1.2586456054        3.5325444582
H            -0.4533281376       -0.4928052278        3.3486252535
H            -0.5411810959       -2.0154721914        3.1741144270
O             0.6590012347       -3.1250911397        2.2906376865
H             1.4657920983       -2.6386035394        1.9683471241
H             0.9795657629       -3.9477409449        2.6583639363
O            -0.6701997003       -2.7222001867       -0.0109395726
H            -1.6369187652       -2.6847665889        0.0962801569
H            -0.2849388604       -2.9815578946        0.8474750981
O             2.9582118401       -2.0304025364       -1.4063442550
H             2.1164894942       -2.4158962744       -1.7812470604
H             3.6755865489       -2.5385232747       -1.7832713588
O             2.1179693631        0.5559033840       -1.5768112579
H             2.6059265918       -0.2838470440       -1.5292469591
H             1.2986049086        0.3865582567       -1.0625327576
O            -0.8261444130       -1.1951730808       -3.7142554132
H            -1.0369426775       -1.4130555465       -4.6324415374
H            -0.3102835423       -0.3491222673       -3.7520559905
O            -3.3235167145       -2.2044288945        0.0341978407
H            -3.2771552154       -1.6950134945       -0.8227441102
H            -4.1018551280       -2.7574302667       -0.0216406315
O             3.2579153068        0.6612401627        2.1389662718
H             3.9832589052        0.8994074936        2.7130099863
H             3.2658904439        1.3159286335        1.3821440953
O            -2.9401953775        2.0760076980        1.4037786125
H            -3.7809697131        2.4649435468        1.6434658241
H            -2.9835971497        1.1238693725        1.7234288972
O             2.8074676033       -1.9568974261        1.3462233506
H             2.9776276054       -1.0409807045        1.6213709308
H             2.8393589430       -1.9634114233        0.3732544097
O            -0.0373580641       -0.1031271263       -0.0781708358
H            -0.8431420324        0.3472342782       -0.4043197006
H            -0.2347062214       -1.0649710638       -0.0822324289
O             0.7162981300       -3.0192463147       -2.3262425350
H             0.2145581989       -2.3955365131       -2.8787841293
H             0.2053160739       -3.0780676259       -1.4987613859
O             3.1512786220        2.3438236632        0.1548525994
H             2.4013864452        2.9474708378        0.2922680921
H             2.8669015067        1.7473669239       -0.5695372080
O             0.5561086371        0.6643031079        2.4448339260
H             1.5262869487        0.6468378682        2.4943955949
H             0.3384253141        0.3786654088        1.5304659791
O            -3.1008050142       -0.8412117752       -2.1911841751
H            -2.8812630843        0.0414504104       -1.8464229403
H            -2.3217537389       -1.0974677620       -2.7147322778
    63
 Energy=    -106.833851356720
O             0.5827559953        1.0268462595       -3.8278530064
H             0.1724196409        1.7382443657       -3.2979439767
H             1.3924838893        0.8232107668       -3.3143814343
O            -0.5536286057        3.0871798198        2.3160009816
H            -1.4445777147        2.8279555899        2.0221923474
H            -0.1147072604        2.2347033926        2.5305908619
O            -0.0312660799        2.9873249158       -1.9724380726
H            -0.0223988215        3.7935843390       -2.4824232449
H             0.4375675127        3.1849982964       -1.1324980608
O             0.9064582179        3.9516716564        0.3719955345
H             0.3238271138        3.6157902871        1.1241954174
H             1.0547080884        4.8778324296        0.5555702718
O            -3.1642781975       -0.3940040090        2.1517626200
H            -2.4372232293       -0.7231637921        2.7263155886
H            -3.2278205417       -1.0228115618        1.4149617121
O            -2.0702939953        1.4014630699       -1.0445667885
H            -1.4389313567        2.0491337313       -1.3990886615
H            -2.4297486881        1.7612209267       -0.2110681787
O            -1.0274237362       -1.2598990738        3.5334892155
H            -0.4536280078       -0.4932263160        3.3533467658
H            -0.5409091640       -2.0153152921        3.1726978581
O             0.6601755564       -3.1238958695        2.2886822447
H             1.4657112977       -2.6375034049        1.9640147902
H             0.9815618547       -3.9461705805        2.6575340463
O            -0.6730648352       -2.7323868779       -0.0127727460
H            -1.6395073329       -2.6908132196        0.0966584210
H            -0.2866054043       -2.9856206817        0.8468161784
O             2.9509850037       -2.0038535900       -1.4187064096
H             2.1105144112       -2.3959579354       -1.7898905622
H             3.6706257553       -2.5218269734       -1.7781958911
O             2.1089142219        0.5707480775       -1.5548979034
H             2.5803882744       -0.2783369691       -1.5085920221
H             1.2754049345        0.4092028257       -1.0636599768
O            -0.8328897017       -1.2042361053       -3.7285003915
H            -1.0591235729       -1.4180069542       -4.6367446760
H            -0.3227279810       -0.3512697835       -3.7461860850
O            -3.3237734902       -2.2048172189        0.0350314364
H            -3.2772283326       -1.6956816067       -0.8219125493
H            -4.1027482942       -2.7575424372       -0.0208366688
O             3.2570990981        0.6614274188        2.1352652083
H             3.9817046384        0.9030954702        2.7103574418
H             3.2619521866        1.3160636865        1.3786314113
O            -2.9396446086        2.0765951097        1.4041733605
H            -3.7798594681        2.4655482229        1.6458511289
H            -2.9835672907        1.1244676563        1.7225694992
O             2.8075643720       -1.9535636800        1.3356728816
H             2.9766192400       -1.0398842209        1.6196418739
H             2.8324391957       -1.9467354469        0.3625719814
O            -0.0576243483       -0.1085718009       -0.0507953117
H            -0.8575142964        0.3404436370       -0.3913610934
H            -0.2498418017       -1.0707971682       -0.0681212313
O             0.7168935404       -3.0214047004       -2.3261564857
H             0.2107969244       -2.4026969520       -2.8806405785
H             0.2058940909       -3.0812111169       -1.4988857931
O             3.1472307389        2.3504550943        0.1582554430
H             2.4077722433        2.9645993270        0.3023273969
H             2.8453173790        1.7538174431       -0.5613127056
O             0.5574557666        0.6682327619        2.4583625428
H             1.5281557771        0.6507264585        2.4980173120
H             0.3309575984        0.3782994093        1.5470199075
O            -3.1002059149       -0.8427501768       -2.1927593528
H            -2.8823161268        0.0402109617       -1.8479012026
H            -2.3207652591       -1.1003802920       -2.7159731423
    63
 Energy=    -106.832771332670
O             0.5894162309        0.9972193425       -3.9034249839
H             0.4923800499        1.5096481451       -3.0594480356
H             1.5205771644        0.7456284959       -3.9068541263
O            -0.5548407913        3.0909259646        2.3260290759
H            -1.4410865457        2.8323792400        2.0176551740
H            -0.1172740798        2.2370223153        2.5382525583
O            -0.0207081207        2.9539466003       -1.8861323059
H             0.0411673184        3.6596322069       -2.5125482065
H             0.4081265570        3.2664958735       -1.0513462543
O             0.9281537752        4.0097284673        0.4211965277
H             0.3453146709        3.6526082683        1.1634517614
H             1.0568861827        4.9365278431        0.6191262281
O            -3.1675178602       -0.3970965977        2.1546702267
H            -2.4400529520       -0.7254578305        2.7287008915
H            -3.2271400765       -1.0228703085        1.4149946106
O            -2.0727426724        1.3827690617       -1.0414505698
H            -1.4302440125        2.0190904782       -1.3997490603
H            -2.4290591915        1.7583769687       -0.2140536403
O            -1.0285892868       -1.2638206233        3.5363217617
H            -0.4560839044       -0.4947633173        3.3623443097
H            -0.5401246906       -2.0161086147        3.1717134461
O             0.6623231320       -3.1241620752        2.2842508885
H             1.4661764605       -2.6372532318        1.9573298826
H             0.9844801305       -3.9442981602        2.6574428289
O            -0.6751372268       -2.7402316693       -0.0161490404
H            -1.6417654290       -2.6959516061        0.0934255984
H            -0.2876390658       -2.9894552907        0.8439864067
O             2.9282570313       -1.9352305101       -1.4522807443
H             2.0938088015       -2.3635444503       -1.7967820145
H             3.6567499179       -2.4682180429       -1.7694320046
O             1.9997391061        0.6234711325       -1.5348394647
H             2.4921678116       -0.2112402321       -1.5415861212
H             1.2146478099        0.4263445730       -0.9805974848
O            -0.8369702982       -1.2272017196       -3.7388884086
H            -1.0919324046       -1.4035030516       -4.6435794199
H            -0.3485143331       -0.3645133124       -3.7692128620
O            -3.3216707414       -2.2069548583        0.0322696301
H            -3.2780058071       -1.6956910623       -0.8244565668
H            -4.1036244172       -2.7558603903       -0.0198020975
O             3.2575121407        0.6616309122        2.1293305927
H             3.9778279371        0.9117151183        2.7065186946
H             3.2583977530        1.3163956762        1.3729146690
O            -2.9439415736        2.0787071929        1.4101552353
H            -3.7829440388        2.4687408113        1.6546041458
H            -2.9881474404        1.1272541126        1.7278836707
O             2.8062795254       -1.9489480316        1.3207121178
H             2.9765835639       -1.0396870537        1.6186668778
H             2.8185698025       -1.9212747856        0.3476290921
O            -0.0901781029       -0.1172535973       -0.0049531458
H            -0.8776769125        0.3400684548       -0.3653399352
H            -0.2761127346       -1.0795578466       -0.0499610036
O             0.7165171188       -3.0202650659       -2.3265776613
H             0.1997852829       -2.4148022670       -2.8860246176
H             0.2045190755       -3.0843064548       -1.5005609736
O             3.1414895882        2.3597107788        0.1571448070
H             2.4218288003        2.9924388612        0.3206778205
H             2.8011868846        1.7686129258       -0.5526778961
O             0.5600172335        0.6732537200        2.4806924311
H             1.5312295746        0.6548996379        2.5050051608
H             0.3188423578        0.3803076881        1.5736575859
O            -3.1014998694       -0.8470932466       -2.1920830598
H            -2.8799133978        0.0354162230       -1.8472625693
H            -2.3233097088       -1.1035941812       -2.7171909539
    63
 Energy=    -106.832389494820
O             0.6029946972        0.9987926348       -3.9027971255
H             0.6430107259        1.3844738730       -3.0072920100
H             1.5075316588        0.7412465211       -4.0880504523
O            -0.5554477378        3.0922348678        2.3279367211
H            -1.4403519908        2.8344019160        2.0157129580
H            -0.1182686803        2.2385805705        2.5403564065
O            -0.0150070453        2.9471408260       -1.8541020064
H             0.0658635756        3.6230752906       -2.5226456450
H             0.3797010418        3.3048248183       -1.0308841328
O             0.9390919959        4.0262174241        0.4395152765
H             0.3550957823        3.6618506615        1.1749351495
H             1.0579361354        4.9547098739        0.6376638420
O            -3.1687940967       -0.3982764577        2.1555262163
H            -2.4413411562       -0.7264828394        2.7294871066
H            -3.2268005424       -1.0229627367        1.4149389214
O            -2.0730707605        1.3752826502       -1.0381334072
H            -1.4333413436        2.0115411623       -1.4027643091
H            -2.4306749884        1.7539748769       -0.2126675317
O            -1.0289781769       -1.2651418637        3.5374368496
H            -0.4569800937       -0.4953680380        3.3649966418
H            -0.5398246708       -2.0163435186        3.1715680748
O             0.6629291048       -3.1244617130        2.2831244077
H             1.4666206770       -2.6376127958        1.9556213306
H             0.9854831877       -3.9438480291        2.6575740367
O            -0.6753843777       -2.7419537212       -0.0176448439
H            -1.6419906392       -2.6963436422        0.0921222185
H            -0.2879797070       -2.9899013967        0.8430169332
O             2.9211635034       -1.9183167947       -1.4567323872
H             2.0905266362       -2.3534276998       -1.7990670809
H             3.6522199244       -2.4508620068       -1.7687975818
O             1.9623400798        0.6459799175       -1.5210294271
H             2.4634506001       -0.1820177785       -1.5644819863
H             1.1934657923        0.4287346693       -0.9495635079
O            -0.8368296605       -1.2264663445       -3.7475317786
H            -1.1054174854       -1.4053753042       -4.6489081562
H            -0.3487438874       -0.3652837817       -3.7696626775
O            -3.3208863615       -2.2076566975        0.0311909673
H            -3.2778908421       -1.6961626955       -0.8249881892
H            -4.1039072774       -2.7551204141       -0.0197473018
O             3.2580680177        0.6622265793        2.1277995654
H             3.9769436567        0.9141716957        2.7060698416
H             3.2581444721        1.3174546580        1.3706224730
O            -2.9458857908        2.0794123884        1.4122358047
H            -3.7843638660        2.4699648131        1.6576709249
H            -2.9897745820        1.1285549211        1.7302832852
O             2.8056424256       -1.9481599871        1.3164735725
H             2.9767437596       -1.0403814124        1.6184199472
H             2.8143051480       -1.9145246794        0.3435508981
O            -0.0988296381       -0.1191594247        0.0079703095
H            -0.8830589392        0.3415729160       -0.3570730064
H            -0.2822536504       -1.0814511501       -0.0460092828
O             0.7145359156       -3.0224099605       -2.3275427168
H             0.1975551689       -2.4177296053       -2.8868248096
H             0.2040080375       -3.0838879841       -1.5003192397
O             3.1394227469        2.3588857500        0.1556982009
H             2.4261638606        2.9969662909        0.3236224419
H             2.7861911486        1.7741280278       -0.5525482840
O             0.5602642178        0.6738273049        2.4862621651
H             1.5315442558        0.6554223910        2.5069419731
H             0.3160500149        0.3813007181        1.5801349439
O            -3.1029037769       -0.8470598429       -2.1934542365
H            -2.8789418261        0.0339528048       -1.8453265874
H            -2.3245732733       -1.1059958979       -2.7163812198
    63
 Energy=    -106.831974359740
O             0.6201831529        0.9917230573       -3.8949100537
H             0.7632571352        1.2690789557       -2.9699010022
H             1.4911080712        0.7509276877       -4.2169145696
O            -0.5558039714        3.0935275368        2.3295075288
H            -1.4395968909        2.8362178489        2.0138354118
H            -0.1193583362        2.2398990661        2.5422187447
O            -0.0384214646        2.9601588313       -1.8279622802
H             0.0927454447        3.5952924239       -2.5311703051
H             0.3628141118        3.3322958920       -1.0178808340
O             0.9508679674        4.0368663447        0.4536791862
H             0.3620543199        3.6685610959        1.1824045647
H             1.0591137270        4.9670239349        0.6508317414
O            -3.1698449273       -0.3993487527        2.1562159637
H            -2.4423207932       -0.7272629563        2.7300364710
H            -3.2266124585       -1.0230418451        1.4147546706
O            -2.0723513988        1.3665608318       -1.0340705638
H            -1.4365882696        2.0046996591       -1.4037069427
H            -2.4319261082        1.7506604991       -0.2121778041
O            -1.0291864367       -1.2662537516        3.5384410270
H            -0.4576989669       -0.4958566527        3.3672506820
H            -0.5396547525       -2.0166251858        3.1714674608
O             0.6633688391       -3.1248397836        2.2822783547
H             1.4667664634       -2.6379743119        1.9545427466
H             0.9860526616       -3.9436386614        2.6578869497
O            -0.6754691436       -2.7422895868       -0.0185735878
H            -1.6422145007       -2.6964332372        0.0907871500
H            -0.2885797883       -2.9903047401        0.8422799803
O             2.9141152398       -1.9036966205       -1.4615948495
H             2.0860827081       -2.3458040527       -1.8014671952
H             3.6479772352       -2.4355446916       -1.7683810326
O             1.9341030138        0.6554144742       -1.5202953710
H             2.4392604159       -0.1701732807       -1.5751715708
H             1.1760059258        0.4315404750       -0.9347088560
O            -0.8364038616       -1.2275140755       -3.7512429010
H            -1.1118111654       -1.4018876456       -4.6516639498
H            -0.3507320037       -0.3654648044       -3.7700529164
O            -3.3199728084       -2.2082802655        0.0302849681
H            -3.2775271648       -1.6961858745       -0.8256366686
H            -4.1039835025       -2.7544091218       -0.0197543543
O             3.2590202338        0.6620142731        2.1264188285
H             3.9761722066        0.9155872921        2.7061575250
H             3.2580039928        1.3181142846        1.3701818671
O            -2.9471075175        2.0801745020        1.4144265948
H            -3.7854524359        2.4711114046        1.6596556081
H            -2.9911151051        1.1295945905        1.7319935235
O             2.8054733469       -1.9473355013        1.3132485488
H             2.9771398407       -1.0406952636        1.6182240923
H             2.8110678893       -1.9094439066        0.3405102487
O            -0.1021120737       -0.1194770597        0.0144968194
H            -0.8848662929        0.3442875446       -0.3526435099
H            -0.2858231633       -1.0815112410       -0.0434589174
O             0.7137687240       -3.0216700224       -2.3278981752
H             0.1954675084       -2.4191341654       -2.8881142484
H             0.2031528822       -3.0833137234       -1.5006479456
O             3.1373240122        2.3610115405        0.1550251407
H             2.4283082526        3.0029676168        0.3275988751
H             2.7775699418        1.7813227692       -0.5524273529
O             0.5607284902        0.6739260127        2.4905201716
H             1.5319793252        0.6556756774        2.5086476197
H             0.3140288249        0.3820609562        1.5849718770
O            -3.1032064339       -0.8478675902       -2.1940960035
H            -2.8779829199        0.0325286844       -1.8441755170
H            -2.3248461437       -1.1067897910       -2.7165721844
    63
 Energy=    -106.832095206010
O             0.6201831529        0.9917230573       -3.8949100537
H             0.7632571352        1.2690789557       -2.9699010022
H             1.4911080712        0.7509276877       -4.2169145696
O            -0.5558039714        3.0935275368        2.3295075288
H            -1.4395968909        2.8362178489        2.0138354118
H            -0.1193583362        2.2398990661        2.5422187447
O            -0.0384214646        2.9601588313       -1.8279622802
H             0.0927454447        3.5952924239       -2.5311703051
H             0.3628141118        3.3322958920       -1.0178808340
O             0.9508679674        4.0368663447        0.4536791862
H             0.3620543199        3.6685610959        1.1824045647
H             1.0591137270        4.9670239349        0.6508317414
O            -3.1698449273       -0.3993487527        2.1562159637
H            -2.4423207932       -0.7272629563        2.7300364710
H            -3.2266124585       -1.0230418451        1.4147546706
O            -2.0723513988        1.3665608318       -1.0340705638
H            -1.4365882696        2.0046996591       -1.4037069427
H            -2.4319261082        1.7506604991       -0.2121778041
O            -1.0291864367       -1.2662537516        3.5384410270
H            -0.4576989669       -0.4958566527        3.3672506820
H            -0.5396547525       -2.0166251858        3.1714674608
O             0.6633688391       -3.1248397836        2.2822783547
H             1.4667664634       -2.6379743119        1.9545427466
H             0.9860526616       -3.9436386614        2.6578869497
O            -0.6754691436       -2.7422895868       -0.0185735878
H            -1.6422145007       -2.6964332372        0.0907871500
H            -0.2885797883       -2.9903047401        0.8422799803
O             2.9141152398       -1.9036966205       -1.4615948495
H             2.0860827081       -2.3458040527       -1.8014671952
H             3.6479772352       -2.4355446916       -1.7683810326
O             1.9341030138        0.6554144742       -1.5202953710
H             2.4392604159       -0.1701732807       -1.5751715708
H             1.1760059258        0.4315404750       -0.9347088560
O            -0.8364038616       -1.2275140755       -3.7512429010
H            -1.1118111654       -1.4018876456       -4.6516639498
H            -0.3507320037       -0.3654648044       -3.7700529164
O            -3.3199728084       -2.2082802655        0.0302849681
H            -3.2775271648       -1.6961858745       -0.8256366686
H            -4.1039835025       -2.7544091218       -0.0197543543
O             3.2590202338        0.6620142731        2.1264188285
H             3.9761722066        0.9155872921        2.7061575250
H             3.2580039928        1.3181142846        1.3701818671
O            -2.9471075175        2.0801745020        1.4144265948
H            -3.7854524359        2.4711114046        1.6596556081
H            -2.9911151051        1.1295945905        1.7319935235
O             2.8054733469       -1.9473355013        1.3132485488
H             2.9771398407       -1.0406952636        1.6182240923
H             2.8110678893       -1.9094439066        0.3405102487
O            -0.1021120737       -0.1194770597        0.0144968194
H            -0.8848662929        0.3442875446       -0.3526435099
H            -0.2858231633       -1.0815112410       -0.0434589174
O             0.7137687240       -3.0216700224       -2.3278981752
H             0.1954675084       -2.4191341654       -2.8881142484
H             0.2031528822       -3.0833137234       -1.5006479456
O             3.1373240122        2.3610115405        0.1550251407
H             2.4283082526        3.0029676168        0.3275988751
H             2.7775699418        1.7813227692       -0.5524273529
O             0.5607284902        0.6739260127        2.4905201716
H             1.5319793252        0.6556756774        2.5086476197
H             0.3140288249        0.3820609562        1.5849718770
O            -3.1032064339       -0.8478675902       -2.1940960035
H            -2.8779829199        0.0325286844       -1.8441755170
H            -2.3248461437       -1.1067897910       -2.7165721844
    63
 Energy=    -106.832212307260
O             0.6085690525        1.0007551824       -3.8997137677
H             0.6563468958        1.3708804678       -2.9998688773
H             1.5066042836        0.7387224185       -4.1129442146
O            -0.5554932520        3.0923965869        2.3281176863
H            -1.4402540661        2.8346439864        2.0154811267
H            -0.1184002234        2.2387642368        2.5406002771
O            -0.0135725540        2.9458671411       -1.8497871741
H             0.0686341472        3.6194497997       -2.5243141335
H             0.3758859767        3.3092757064       -1.0287329190
O             0.9404645093        4.0279842685        0.4417238272
H             0.3562179000        3.6628846942        1.1761867555
H             1.0580555987        4.9568825532        0.6397746435
O            -3.1689564942       -0.3984158050        2.1556308056
H            -2.4414912150       -0.7266106943        2.7295723175
H            -3.2267580368       -1.0229725489        1.4149290753
O            -2.0730146924        1.3743129804       -1.0377055234
H            -1.4339014446        2.0106404822       -1.4031260598
H            -2.4308877243        1.7534744381       -0.2124982616
O            -1.0290162450       -1.2652912198        3.5375860199
H            -0.4570888048       -0.4954457874        3.3652995531
H            -0.5397879707       -2.0163731659        3.1715445131
O             0.6629968932       -3.1245029001        2.2830088430
H             1.4666734606       -2.6376510138        1.9554220577
H             0.9855997069       -3.9438049698        2.6575936103
O            -0.6754166584       -2.7421486841       -0.0178179029
H            -1.6420129092       -2.6963731025        0.0919590041
H            -0.2880233372       -2.9899469128        0.8429075004
O             2.9203329503       -1.9164493202       -1.4572421778
H             2.0901301209       -2.3522303101       -1.7993230783
H             3.6517312388       -2.4488628666       -1.7687379731
O             1.9578038257        0.6487922902       -1.5197798250
H             2.4598408704       -0.1784435405       -1.5669866403
H             1.1913445504        0.4288177637       -0.9460684163
O            -0.8369061675       -1.2267289666       -3.7483277986
H            -1.1069628001       -1.4055571135       -4.6495231982
H            -0.3491777838       -0.3658682839       -3.7698222876
O            -3.3207917316       -2.2077223072        0.0310370535
H            -3.2778646544       -1.6962240845       -0.8250381758
H            -4.1039371687       -2.7550305775       -0.0197446241
O             3.2581417702        0.6622621372        2.1276593518
H             3.9768588837        0.9144544319        2.7060438722
H             3.2581169521        1.3175706114        1.3703679625
O            -2.9460847405        2.0795183748        1.4125247211
H            -3.7845422458        2.4701107430        1.6580214443
H            -2.9899712220        1.1286983525        1.7305507042
O             2.8055928052       -1.9480839319        1.3159963879
H             2.9767515158       -1.0404740919        1.6183776764
H             2.8137997382       -1.9137327113        0.3430823782
O            -0.0998449483       -0.1193353709        0.0093907576
H            -0.8836949889        0.3417708251       -0.3561204382
H            -0.2829296071       -1.0816429972       -0.0455629554
O             0.7142850471       -3.0226352243       -2.3276695747
H             0.1972923257       -2.4180545759       -2.8869009889
H             0.2039518082       -3.0838117735       -1.5003232664
O             3.1391424684        2.3588988715        0.1553747611
H             2.4266471018        2.9975119519        0.3240423339
H             2.7844726730        1.7746052658       -0.5525334199
O             0.5602772464        0.6739079634        2.4868928028
H             1.5315750290        0.6554647397        2.5071588182
H             0.3157404938        0.3814065887        1.5808775020
O            -3.1030260034       -0.8470575282       -2.1935825097
H            -2.8788376997        0.0337665638       -1.8451224270
H            -2.3247193479       -1.1062524363       -2.7163080559
    63
 Energy=    -106.832254698320
O             0.6039745723        0.9991678190       -3.9022442970
H             0.6519092411        1.3767950416       -3.0047056821
H             1.5065910835        0.7409988697       -4.0987641797
O            -0.5554783769        3.0923090032        2.3280391840
H            -1.4403081107        2.8345238582        2.0155983454
H            -0.1183290348        2.2386774093        2.5404807316
O            -0.0145491979        2.9464799274       -1.8517422648
H             0.0673512453        3.6212332864       -2.5235148623
H             0.3778818982        3.3070433730       -1.0298759786
O             0.9397226671        4.0271481782        0.4406178205
H             0.3556882644        3.6623973696        1.1755947051
H             1.0580016622        4.9558087269        0.6387551953
O            -3.1688698507       -0.3983454579        2.1555761693
H            -2.4414185217       -0.7265445182        2.7295328429
H            -3.2267799525       -1.0229683721        1.4149357524
O            -2.0730671914        1.3748534967       -1.0379430581
H            -1.4335564692        2.0110846018       -1.4029436395
H            -2.4307803248        1.7537087245       -0.2125747047
O            -1.0290004770       -1.2652173793        3.5375039094
H            -0.4570344095       -0.4954063622        3.3651539276
H            -0.5398062390       -2.0163584051        3.1715587758
O             0.6629630019       -3.1244810631        2.2830610764
H             1.4666491152       -2.6376344402        1.9555198381
H             0.9855428492       -3.9438208076        2.6575813559
O            -0.6754007795       -2.7420552227       -0.0177339385
H            -1.6420024185       -2.6963647734        0.0920440051
H            -0.2879999320       -2.9899270705        0.8429604740
O             2.9207389951       -1.9173392696       -1.4569822763
H             2.0903469970       -2.3528183940       -1.7992018026
H             3.6519482782       -2.4498333892       -1.7687638530
O             1.9601309506        0.6473375990       -1.5201728266
H             2.4617542084       -0.1802777361       -1.5658623704
H             1.1922095130        0.4288714102       -0.9477312273
O            -0.8367959027       -1.2263483316       -3.7480533624
H            -1.1062479277       -1.4055365949       -4.6492626788
H            -0.3487507256       -0.3653657989       -3.7696404905
O            -3.3208411089       -2.2076917412        0.0311184260
H            -3.2778821041       -1.6961982094       -0.8250091457
H            -4.1039230319       -2.7550759558       -0.0197447072
O             3.2580995294        0.6622560286        2.1277182380
H             3.9768944220        0.9143164401        2.7060468489
H             3.2581319040        1.3175267632        1.3704760565
O            -2.9459981760        2.0794537548        1.4123599777
H            -3.7844488964        2.4700372238        1.6578528172
H            -2.9898716523        1.1286333642        1.7304254025
O             2.8056059206       -1.9481122754        1.3162221040
H             2.9767527828       -1.0404268051        1.6184042501
H             2.8140522341       -1.9141263593        0.3433085047
O            -0.0993447843       -0.1192623068        0.0087385950
H            -0.8833727823        0.3416565971       -0.3565814804
H            -0.2826136195       -1.0815621465       -0.0457801782
O             0.7144115986       -3.0225447997       -2.3276010787
H             0.1974302905       -2.4179041343       -2.8868641465
H             0.2039798207       -3.0838578369       -1.5003084126
O             3.1392858198        2.3588331639        0.1556071859
H             2.4264319211        2.9972167968        0.3237886764
H             2.7852997778        1.7744540795       -0.5525470940
O             0.5602754375        0.6738626790        2.4865845038
H             1.5315620386        0.6554508898        2.5070564786
H             0.3158871852        0.3813585689        1.5805166714
O            -3.1029845939       -0.8470470134       -2.1935397955
H            -2.8788881788        0.0338604727       -1.8452094636
H            -2.3246493525       -1.1061449457       -2.7163303727
    63
 Energy=    -106.834520510460
O             0.5858080274        1.0124272979       -3.8819662447
H             0.3547455064        1.6111867718       -3.1369221896
H             1.5056115273        0.7586359029       -3.7154757335
O            -0.5541232544        3.0894154432        2.3233795910
H            -1.4418500515        2.8305305883        2.0196240533
H            -0.1162904428        2.2357854284        2.5360180670
O            -0.0192796789        2.9542868052       -1.9091682963
H             0.0157744960        3.7068879729       -2.5055827746
H             0.4283961233        3.2280866300       -1.0807764396
O             0.9170678260        3.9912480433        0.4037978476
H             0.3361528608        3.6424014895        1.1505262874
H             1.0560035118        4.9180564326        0.5992042467
O            -3.1662777684       -0.3959015861        2.1537324252
H            -2.4388482050       -0.7244895757        2.7278218024
H            -3.2274190468       -1.0227728357        1.4150655062
O            -2.0720155898        1.3906382971       -1.0444441149
H            -1.4289989762        2.0271153098       -1.3973360505
H            -2.4282412215        1.7619139896       -0.2145142329
O            -1.0281729072       -1.2624305290        3.5352754396
H            -0.4551900410       -0.4942279954        3.3595739602
H            -0.5404117007       -2.0158589238        3.1718566341
O             0.6616230815       -3.1239032013        2.2856131504
H             1.4658268212       -2.6370074845        1.9591636183
H             0.9835071624       -3.9447848704        2.6573231005
O            -0.6748613893       -2.7384623461       -0.0147685772
H            -1.6414255230       -2.6952248030        0.0947104773
H            -0.2873346356       -2.9888191016        0.8450414271
O             2.9355322117       -1.9548559508       -1.4452925356
H             2.0982807907       -2.3733749194       -1.7946669886
H             3.6613133691       -2.4861729809       -1.7708031578
O             2.0393419002        0.6019736506       -1.5447475474
H             2.5217308496       -0.2390854434       -1.5214331969
H             1.2356708319        0.4234369109       -1.0127206477
O            -0.8362317511       -1.2228491545       -3.7334727213
H            -1.0806707517       -1.4063804727       -4.6403181449
H            -0.3450663088       -0.3629437078       -3.7633404747
O            -3.3225526622       -2.2060276841        0.0331783269
H            -3.2779283805       -1.6956261848       -0.8234196061
H            -4.1032988721       -2.7565551226       -0.0199610658
O             3.2570221530        0.6610430886        2.1312272936
H             3.9789639942        0.9090568924        2.7073448646
H             3.2588710686        1.3158894448        1.3747140988
O            -2.9419645761        2.0779510352        1.4080527709
H            -3.7815302301        2.4674851494        1.6514915912
H            -2.9864907114        1.1261038105        1.7254955991
O             2.8069736700       -1.9499169964        1.3249943499
H             2.9764183611       -1.0392684938        1.6188808318
H             2.8229427357       -1.9284517431        0.3518478543
O            -0.0810613628       -0.1148915610       -0.0180490566
H            -0.8717686282        0.3385429294       -0.3738403849
H            -0.2691644592       -1.0772198792       -0.0546054950
O             0.7178873717       -3.0192773935       -2.3258951665
H             0.2027678253       -2.4116396794       -2.8845118893
H             0.2050880142       -3.0841437820       -1.5007126678
O             3.1431509931        2.3591165440        0.1582199486
H             2.4176323132        2.9861898820        0.3165785938
H             2.8160717641        1.7633572724       -0.5536422718
O             0.5595139228        0.6724982027        2.4743668967
H             1.5306617098        0.6541095762        2.5029374849
H             0.3220313730        0.3793054349        1.5665088872
O            -3.1002224598       -0.8463295644       -2.1915005524
H            -2.8810670596        0.0368770587       -1.8486105074
H            -2.3221144167       -1.1019017169       -2.7175588128
    63
 Energy=    -106.834954568010
O             0.5821562644        1.0274405254       -3.8610977152
H             0.2786928545        1.6630484986       -3.1964570977
H             1.4836767745        0.7724793928       -3.5866013672
O            -0.5537008149        3.0884136426        2.3213090476
H            -1.4424422037        2.8294841020        2.0208284121
H            -0.1156492816        2.2352033533        2.5344936030
O            -0.0172382986        2.9577782785       -1.9258957253
H            -0.0000934964        3.7364591863       -2.4991624107
H             0.4375062488        3.2054065848       -1.1010591374
O             0.9106057652        3.9787830782        0.3931832882
H             0.3308108833        3.6350952033        1.1417336768
H             1.0555282888        4.9058404632        0.5856951128
O            -3.1655303524       -0.3951639499        2.1530875409
H            -2.4381568377       -0.7239221904        2.7272290777
H            -3.2275562751       -1.0227168746        1.4151110064
O            -2.0716406437        1.3955231751       -1.0458074571
H            -1.4294181739        2.0328969116       -1.3964860346
H            -2.4282661772        1.7633222791       -0.2141525866
O            -1.0279019742       -1.2615438296        3.5346476841
H            -0.4546211348       -0.4939104909        3.3577236779
H            -0.5405896367       -2.0156734908        3.1719770919
O             0.6611426163       -3.1237700208        2.2865967672
H             1.4656728563       -2.6369600229        1.9604501121
H             0.9829121407       -3.9451238670        2.6572706395
O            -0.6746179589       -2.7372465325       -0.0140113284
H            -1.6410911704       -2.6944694868        0.0955117698
H            -0.2871662968       -2.9882288302        0.8457357247
O             2.9403766721       -1.9691694079       -1.4388088951
H             2.1018917725       -2.3796139246       -1.7934577088
H             3.6642422922       -2.4979268873       -1.7722968062
O             2.0651536678        0.5897315127       -1.5480682979
H             2.5413848156       -0.2558087606       -1.5113427175
H             1.2487492427        0.4211180628       -1.0332108655
O            -0.8352561920       -1.2170092398       -3.7320310418
H            -1.0748494797       -1.4110916326       -4.6396345389
H            -0.3401237155       -0.3605042030       -3.7564353138
O            -3.3231316143       -2.2053978500        0.0337610871
H            -3.2777610245       -1.6957770227       -0.8225692165
H            -4.1030946121       -2.7569651144       -0.0201431330
O             3.2568268888        0.6608569152        2.1325386600
H             3.9798042729        0.9072230261        2.7080990693
H             3.2593661884        1.3158630441        1.3756674224
O            -2.9407963593        2.0774402667        1.4066670672
H            -3.7806693931        2.4666962118        1.6495182743
H            -2.9854204062        1.1254847519        1.7240723626
O             2.8073902590       -1.9507174861        1.3278139917
H             2.9763367386       -1.0392015705        1.6190125052
H             2.8258103337       -1.9333804348        0.3546716529
O            -0.0747721136       -0.1131385620       -0.0267040914
H            -0.8677099598        0.3378150212       -0.3793676699
H            -0.2640943743       -1.0754705363       -0.0580647479
O             0.7182368565       -3.0195083623       -2.3257426630
H             0.2051764544       -2.4094059168       -2.8831470029
H             0.2054480306       -3.0836401993       -1.5005621912
O             3.1440850455        2.3575446457        0.1587299093
H             2.4149449499        2.9808764040        0.3130226261
H             2.8253652234        1.7602854702       -0.5549762358
O             0.5590273555        0.6717573555        2.4698469177
H             1.5300882904        0.6534048124        2.5015181765
H             0.3243779744        0.3787257056        1.5613941340
O            -3.0996421638       -0.8453789855       -2.1917414253
H            -2.8818335305        0.0379205425       -1.8489453464
H            -2.3214412489       -1.1013251388       -2.7174278394
    63
 Energy=    -106.836836151840
O             0.5827559953        1.0268462595       -3.8278530064
H             0.1724196409        1.7382443657       -3.2979439767
H             1.3924838893        0.8232107668       -3.3143814343
O            -0.5536286057        3.0871798198        2.3160009816
H            -1.4445777147        2.8279555899        2.0221923474
H            -0.1147072604        2.2347033926        2.5305908619
O            -0.0312660799        2.9873249158       -1.9724380726
H            -0.0223988215        3.7935843390       -2.4824232449
H             0.4375675127        3.1849982964       -1.1324980608
O             0.9064582179        3.9516716564        0.3719955345
H             0.3238271138        3.6157902871        1.1241954174
H             1.0547080884        4.8778324296        0.5555702718
O            -3.1642781975       -0.3940040090        2.1517626200
H            -2.4372232293       -0.7231637921        2.7263155886
H            -3.2278205417       -1.0228115618        1.4149617121
O            -2.0702939953        1.4014630699       -1.0445667885
H            -1.4389313567        2.0491337313       -1.3990886615
H            -2.4297486881        1.7612209267       -0.2110681787
O            -1.0274237362       -1.2598990738        3.5334892155
H            -0.4536280078       -0.4932263160        3.3533467658
H            -0.5409091640       -2.0153152921        3.1726978581
O             0.6601755564       -3.1238958695        2.2886822447
H             1.4657112977       -2.6375034049        1.9640147902
H             0.9815618547       -3.9461705805        2.6575340463
O            -0.6730648352       -2.7323868779       -0.0127727460
H            -1.6395073329       -2.6908132196        0.0966584210
H            -0.2866054043       -2.9856206817        0.8468161784
O             2.9509850037       -2.0038535900       -1.4187064096
H             2.1105144112       -2.3959579354       -1.7898905622
H             3.6706257553       -2.5218269734       -1.7781958911
O             2.1089142219        0.5707480775       -1.5548979034
H             2.5803882744       -0.2783369691       -1.5085920221
H             1.2754049345        0.4092028257       -1.0636599768
O            -0.8328897017       -1.2042361053       -3.7285003915
H            -1.0591235729       -1.4180069542       -4.6367446760
H            -0.3227279810       -0.3512697835       -3.7461860850
O            -3.3237734902       -2.2048172189        0.0350314364
H            -3.2772283326       -1.6956816067       -0.8219125493
H            -4.1027482942       -2.7575424372       -0.0208366688
O             3.2570990981        0.6614274188        2.1352652083
H             3.9817046384        0.9030954702        2.7103574418
H             3.2619521866        1.3160636865        1.3786314113
O            -2.9396446086        2.0765951097        1.4041733605
H            -3.7798594681        2.4655482229        1.6458511289
H            -2.9835672907        1.1244676563        1.7225694992
O             2.8075643720       -1.9535636800        1.3356728816
H             2.9766192400       -1.0398842209        1.6196418739
H             2.8324391957       -1.9467354469        0.3625719814
O            -0.0576243483       -0.1085718009       -0.0507953117
H            -0.8575142964        0.3404436370       -0.3913610934
H            -0.2498418017       -1.0707971682       -0.0681212313
O             0.7168935404       -3.0214047004       -2.3261564857
H             0.2107969244       -2.4026969520       -2.8806405785
H             0.2058940909       -3.0812111169       -1.4988857931
O             3.1472307389        2.3504550943        0.1582554430
H             2.4077722433        2.9645993270        0.3023273969
H             2.8453173790        1.7538174431       -0.5613127056
O             0.5574557666        0.6682327619        2.4583625428
H             1.5281557771        0.6507264585        2.4980173120
H             0.3309575984        0.3782994093        1.5470199075
O            -3.1002059149       -0.8427501768       -2.1927593528
H            -2.8823161268        0.0402109617       -1.8479012026
H            -2.3207652591       -1.1003802920       -2.7159731423
    63
 Energy=    -106.837862183180
O             0.6041699293        1.0272497132       -3.7746676005
H             0.1228395297        1.7520109659       -3.3587464299
H             1.2971098967        0.8395713886       -3.1127642839
O            -0.5534125071        3.0864319596        2.3086673421
H            -1.4466603496        2.8275006961        2.0209734274
H            -0.1160101990        2.2343656230        2.5259538949
O            -0.0563997683        3.0332653101       -1.9994054845
H            -0.0417847112        3.8647087432       -2.4719980046
H             0.4011114100        3.2017582012       -1.1522451384
O             0.9071223036        3.9227166572        0.3545237074
H             0.3270833260        3.5958453948        1.1107078751
H             1.0564001001        4.8532950390        0.5293108117
O            -3.1632729041       -0.3935359654        2.1506998311
H            -2.4371827232       -0.7233119721        2.7260475317
H            -3.2281502679       -1.0231687714        1.4145336678
O            -2.0639705805        1.4006042821       -1.0409781810
H            -1.4602434785        2.0656854474       -1.4063590371
H            -2.4297226622        1.7557563752       -0.2067693507
O            -1.0270675437       -1.2584092136        3.5324916491
H            -0.4534780474       -0.4928997074        3.3481648142
H            -0.5411780512       -2.0157263159        3.1742495492
O             0.6587439313       -3.1250915391        2.2906072326
H             1.4654869378       -2.6387323338        1.9688237361
H             0.9792816713       -3.9482539408        2.6586321911
O            -0.6696788512       -2.7205649315       -0.0105032604
H            -1.6367311376       -2.6840952881        0.0960951665
H            -0.2846402096       -2.9810096593        0.8474538083
O             2.9578189816       -2.0276797740       -1.4091978032
H             2.1157533458       -2.4172539983       -1.7796560650
H             3.6757025584       -2.5383509919       -1.7826524862
O             2.1139765853        0.5530987101       -1.5789208920
H             2.6047697258       -0.2847710783       -1.5329326074
H             1.2986264134        0.3837016568       -1.0568191771
O            -0.8267567780       -1.1975923377       -3.7191266200
H            -1.0340270709       -1.4106822805       -4.6264126029
H            -0.3091974181       -0.3474943161       -3.7527360612
O            -3.3231379437       -2.2041703449        0.0338935094
H            -3.2773471001       -1.6948486857       -0.8229874817
H            -4.1018810864       -2.7575437898       -0.0216756617
O             3.2574266605        0.6609054113        2.1385785319
H             3.9837953377        0.8994368639        2.7136463208
H             3.2659934607        1.3153864614        1.3825066149
O            -2.9403791616        2.0758859652        1.4041796862
H            -3.7813474514        2.4648578109        1.6435095754
H            -2.9840509292        1.1238912621        1.7236773342
O             2.8077801418       -1.9571316930        1.3470759543
H             2.9778046130       -1.0408492589        1.6217646421
H             2.8399227583       -1.9646400839        0.3742914814
O            -0.0361426370       -0.1030460250       -0.0781573970
H            -0.8408574983        0.3478622069       -0.4062264291
H            -0.2343897603       -1.0646230516       -0.0839724918
O             0.7172252202       -3.0183067453       -2.3252986100
H             0.2141694153       -2.3949581574       -2.8789187565
H             0.2051169234       -3.0780446820       -1.4996838251
O             3.1518813183        2.3435986227        0.1545996540
H             2.4015965665        2.9475352027        0.2921823322
H             2.8688455474        1.7475858417       -0.5699851082
O             0.5562971748        0.6645772133        2.4439190754
H             1.5264051142        0.6465762544        2.4941140065
H             0.3387739324        0.3786184264        1.5294417970
O            -3.1006946176       -0.8410253976       -2.1901572536
H            -2.8812087982        0.0412130202       -1.8465200113
H            -2.3215174846       -1.0969267953       -2.7153331638
    63
 Energy=    -106.838151342510
O             0.6040738187        1.0211889377       -3.7654428325
H             0.1208985054        1.7508139704       -3.3637744761
H             1.3015773448        0.8271422710       -3.1053775761
O            -0.5531626326        3.0861395316        2.3077192001
H            -1.4466616173        2.8276820280        2.0200042441
H            -0.1167291867        2.2336849065        2.5252390341
O            -0.0679328368        3.0470624327       -1.9942636131
H            -0.0457281107        3.8741839175       -2.4751366358
H             0.3947806547        3.2077969557       -1.1495997242
O             0.9060872117        3.9196812852        0.3528550996
H             0.3287874718        3.5940085153        1.1111057971
H             1.0576806273        4.8517108183        0.5277994025
O            -3.1632744889       -0.3937357450        2.1507226081
H            -2.4372837673       -0.7235126583        2.7260621232
H            -3.2281419147       -1.0232248296        1.4144138517
O            -2.0620816930        1.3997752859       -1.0410001982
H            -1.4626640367        2.0671937986       -1.4082354221
H            -2.4281937098        1.7555128916       -0.2067446172
O            -1.0269803757       -1.2582733520        3.5323746460
H            -0.4536445015       -0.4929053414        3.3470729587
H            -0.5412848415       -2.0160174822        3.1746343468
O             0.6582819421       -3.1256105347        2.2908386454
H             1.4650304511       -2.6390021280        1.9698874449
H             0.9785556475       -3.9489251471        2.6590328854
O            -0.6687748965       -2.7172106349       -0.0099103137
H            -1.6360737353       -2.6824580374        0.0957375342
H            -0.2840409754       -2.9797178392        0.8475232275
O             2.9576044890       -2.0242255764       -1.4132415854
H             2.1148811806       -2.4200900839       -1.7766301721
H             3.6757730315       -2.5382209787       -1.7818240261
O             2.1064332409        0.5486465231       -1.5821986787
H             2.6029011510       -0.2860628783       -1.5418393481
H             1.2994729053        0.3772368899       -1.0459276323
O            -0.8244418180       -1.1973412173       -3.7186580325
H            -1.0302444312       -1.4087117625       -4.6247616591
H            -0.3070911683       -0.3457250361       -3.7535886711
O            -3.3227488628       -2.2040428463        0.0333714915
H            -3.2776225901       -1.6944949267       -0.8235020034
H            -4.1015814418       -2.7575023140       -0.0217595653
O             3.2575323441        0.6603922374        2.1388990089
H             3.9840057823        0.8990781629        2.7143233993
H             3.2663727787        1.3146266042        1.3830213187
O            -2.9409081277        2.0757548540        1.4048576442
H            -3.7820890965        2.4647050351        1.6435312362
H            -2.9848872185        1.1238578564        1.7242803613
O             2.8084003701       -1.9577175768        1.3491080188
H             2.9781557981       -1.0408769679        1.6224779236
H             2.8411915631       -1.9673707007        0.3764247907
O            -0.0332537453       -0.1026090093       -0.0790443375
H            -0.8360765325        0.3496656894       -0.4101997770
H            -0.2330928697       -1.0639513961       -0.0877305563
O             0.7183873518       -3.0163849417       -2.3245698071
H             0.2141178719       -2.3938906744       -2.8787987770
H             0.2044249639       -3.0778201113       -1.5006323061
O             3.1530391546        2.3429360787        0.1541028255
H             2.4019448060        2.9464608151        0.2912680743
H             2.8727064401        1.7477628899       -0.5716002119
O             0.5565101815        0.6647155546        2.4417148180
H             1.5264755726        0.6459174000        2.4934104012
H             0.3397716509        0.3786595086        1.5269726873
O            -3.1001809845       -0.8411009658       -2.1890546421
H            -2.8808940359        0.0413259570       -1.8462257463
H            -2.3215789573       -1.0958283074       -2.7160046252
    63
 Energy=    -106.838507007380
O             0.6072794944        0.9867305113       -3.7352075880
H             0.1216440363        1.7416005974       -3.3841897351
H             1.2937421253        0.7961106731       -3.0536182313
O            -0.5527478169        3.0845295340        2.3043314824
H            -1.4466488267        2.8290299714        2.0152316245
H            -0.1192655525        2.2304682790        2.5214593456
O            -0.1242083947        3.1000788193       -1.9849697180
H            -0.0575409423        3.9175027105       -2.4823634131
H             0.3601805726        3.2454651262       -1.1450330747
O             0.9091543768        3.9041057185        0.3500428281
H             0.3340128161        3.5843910652        1.1105063286
H             1.0626006857        4.8440521297        0.5189529406
O            -3.1643391490       -0.3952355982        2.1510522618
H            -2.4376300631       -0.7244418516        2.7258739986
H            -3.2277165726       -1.0233671270        1.4136670251
O            -2.0552213237        1.3954139610       -1.0375363158
H            -1.4739829888        2.0773151449       -1.4183624333
H            -2.4215131825        1.7515659788       -0.2070036054
O            -1.0262483397       -1.2578707780        3.5322773231
H            -0.4540372160       -0.4926500992        3.3413802032
H            -0.5419388017       -2.0167872438        3.1762803366
O             0.6560845254       -3.1281096491        2.2922103572
H             1.4632640623       -2.6406128314        1.9753183916
H             0.9754863471       -3.9521635077        2.6609985210
O            -0.6650883811       -2.7048140803       -0.0089811026
H            -1.6325522875       -2.6735955936        0.0946030934
H            -0.2820941695       -2.9724100906        0.8479137468
O             2.9581671394       -2.0186512112       -1.4195584522
H             2.1147559848       -2.4276359913       -1.7671665844
H             3.6763371064       -2.5390293476       -1.7808978835
O             2.0874094610        0.5375211832       -1.5802168616
H             2.5931606892       -0.2932967805       -1.5838475595
H             1.3053577352        0.3472519751       -1.0081495083
O            -0.8148956146       -1.1902651977       -3.7149733273
H            -1.0176116441       -1.4083216566       -4.6275288936
H            -0.2935471090       -0.3390168829       -3.7456720925
O            -3.3211425929       -2.2039453036        0.0316960033
H            -3.2778247113       -1.6934068602       -0.8248025907
H            -4.1004202713       -2.7574099764       -0.0223338676
O             3.2585319716        0.6581793756        2.1402593883
H             3.9853875756        0.8972112439        2.7180007617
H             3.2684708711        1.3116058711        1.3848392466
O            -2.9435697240        2.0756155269        1.4073344513
H            -3.7853104671        2.4641381599        1.6434319575
H            -2.9879443610        1.1237215617        1.7266973314
O             2.8117448895       -1.9615323459        1.3570352312
H             2.9795771044       -1.0425575473        1.6249711044
H             2.8469759411       -1.9773456878        0.3846916420
O            -0.0221040214       -0.1006958009       -0.0820356122
H            -0.8148201323        0.3599572490       -0.4284005997
H            -0.2255593347       -1.0615759788       -0.1038427059
O             0.7190481864       -3.0121312126       -2.3237220934
H             0.2173969438       -2.3876175587       -2.8775514696
H             0.2010337783       -3.0757291487       -1.5015551782
O             3.1581115300        2.3377273023        0.1507001036
H             2.4033028911        2.9376688930        0.2839911632
H             2.8864195395        1.7477364191       -0.5812620168
O             0.5567897877        0.6637719718        2.4323203630
H             1.5261180548        0.6428664849        2.4895987565
H             0.3446215521        0.3792525698        1.5158256568
O            -3.0979136029       -0.8403005997       -2.1885857271
H            -2.8789872751        0.0427850687       -1.8429198455
H            -2.3212318022       -1.0920899356       -2.7176953966
    63
 Energy=    -106.838576147540
O             0.6071892671        0.9834841104       -3.7380461364
H             0.1278772333        1.7379448324       -3.3801477004
H             1.2937346650        0.7965030715       -3.0596375987
O            -0.5529112866        3.0844088097        2.3046545493
H            -1.4465339035        2.8292568126        2.0148036781
H            -0.1193345331        2.2302126679        2.5212832879
O            -0.1275090552        3.1012236990       -1.9845349534
H            -0.0563818104        3.9167170268       -2.4826106339
H             0.3568761781        3.2500806312       -1.1449341145
O             0.9121883402        3.9092117175        0.3518793116
H             0.3336129030        3.5841740165        1.1114928911
H             1.0620482635        4.8401971024        0.5186973296
O            -3.1646419062       -0.3955070798        2.1512953845
H            -2.4377205932       -0.7245081655        2.7258126933
H            -3.2275950003       -1.0233835766        1.4135315295
O            -2.0535620531        1.3956820540       -1.0385482086
H            -1.4752501217        2.0764971422       -1.4184051906
H            -2.4214399790        1.7513142259       -0.2062722166
O            -1.0261683351       -1.2577160627        3.5324420588
H            -0.4540857693       -0.4926929748        3.3410558431
H            -0.5419266498       -2.0168631221        3.1762694982
O             0.6560372999       -3.1287007572        2.2924483448
H             1.4632873291       -2.6407306690        1.9755987891
H             0.9752374537       -3.9520200268        2.6609848862
O            -0.6648833127       -2.7049576118       -0.0092951254
H            -1.6324270700       -2.6728727720        0.0945791844
H            -0.2821671005       -2.9716994025        0.8478336808
O             2.9584500271       -2.0188419831       -1.4187389322
H             2.1149152320       -2.4261185440       -1.7677788048
H             3.6757987418       -2.5379402067       -1.7808958132
O             2.0877357436        0.5389554091       -1.5758386761
H             2.5902349951       -0.2930425026       -1.5865356406
H             1.3049548403        0.3460811273       -1.0069592354
O            -0.8157782238       -1.1907803596       -3.7171686890
H            -1.0178075570       -1.4089505578       -4.6272397180
H            -0.2926816922       -0.3392255749       -3.7432295956
O            -3.3212506291       -2.2042398039        0.0317238826
H            -3.2776270206       -1.6934192551       -0.8247752083
H            -4.1001885371       -2.7572605868       -0.0223630726
O             3.2596485201        0.6582045514        2.1410893383
H             3.9845207446        0.8969373841        2.7174902405
H             3.2685209871        1.3115483482        1.3844873901
O            -2.9437013021        2.0755842838        1.4074416933
H            -3.7856746200        2.4642336235        1.6436222633
H            -2.9880764780        1.1238603235        1.7268090894
O             2.8120807860       -1.9619109575        1.3567810808
H             2.9796359129       -1.0429520264        1.6249877731
H             2.8470391285       -1.9767057908        0.3845161427
O            -0.0227596280       -0.1008587628       -0.0807529168
H            -0.8140468828        0.3608163585       -0.4289724117
H            -0.2256300817       -1.0618250943       -0.1040589629
O             0.7183316572       -3.0130032461       -2.3234479933
H             0.2177835128       -2.3869743668       -2.8777011137
H             0.2009357553       -3.0754651655       -1.5014213404
O             3.1584224611        2.3372918184        0.1501807000
H             2.4037153694        2.9371992107        0.2834956850
H             2.8855168545        1.7478122878       -0.5818852047
O             0.5567292279        0.6635739074        2.4325367102
H             1.5261192576        0.6428319145        2.4893921318
H             0.3445952085        0.3793892339        1.5159504138
O            -3.0980938517       -0.8394511796       -2.1888961492
H            -2.8788329216        0.0424042773       -1.8426026632
H            -2.3205748908       -1.0922561914       -2.7179639735
    63
 Energy=    -106.838848590450
O             0.6145090370        0.9790488939       -3.7345742279
H             0.1322780701        1.7329813472       -3.3757705783
H             1.2807767142        0.7939731617       -3.0378848234
O            -0.5529858770        3.0831418688        2.3036803514
H            -1.4464452728        2.8300035413        2.0120312279
H            -0.1201718379        2.2279985993        2.5187278390
O            -0.1489478137        3.1212281274       -1.9909561012
H            -0.0614574290        3.9353444367       -2.4856027418
H             0.3299634617        3.2748642670       -1.1477615096
O             0.9193714330        3.9039687179        0.3536361406
H             0.3347454672        3.5804930297        1.1105371020
H             1.0633036283        4.8345005064        0.5155191873
O            -3.1662523105       -0.3969227010        2.1519513124
H            -2.4380673470       -0.7249447616        2.7256173686
H            -3.2269996702       -1.0233780170        1.4129305738
O            -2.0488251624        1.3928050931       -1.0363946064
H            -1.4825800597        2.0823823525       -1.4229982333
H            -2.4178632798        1.7474996187       -0.2054951678
O            -1.0255302640       -1.2570096768        3.5325468980
H            -0.4538225956       -0.4924067743        3.3371158667
H            -0.5423645972       -2.0168978764        3.1770227023
O             0.6549798747       -3.1303210609        2.2934527566
H             1.4631321695       -2.6422647472        1.9789131056
H             0.9733934522       -3.9536775094        2.6619922959
O            -0.6635984836       -2.7023497313       -0.0105365549
H            -1.6308256551       -2.6664282667        0.0941150943
H            -0.2814512743       -2.9659272025        0.8479893224
O             2.9597621714       -2.0235260793       -1.4134825518
H             2.1158026929       -2.4235025827       -1.7690753482
H             3.6764180766       -2.5380471336       -1.7821607581
O             2.0925763176        0.5390773426       -1.5622236005
H             2.5828072569       -0.3001884235       -1.6023566092
H             1.3092598717        0.3343787290       -0.9979666199
O            -0.8189375370       -1.1947525087       -3.7162286910
H            -1.0106460688       -1.4088990477       -4.6282400207
H            -0.2900772254       -0.3467930665       -3.7336347640
O            -3.3203849278       -2.2044611372        0.0311626289
H            -3.2765872718       -1.6933889494       -0.8249713166
H            -4.0993404354       -2.7572156124       -0.0228846461
O             3.2609346136        0.6569919433        2.1419788343
H             3.9844906540        0.8960425486        2.7186332431
H             3.2701624607        1.3094739165        1.3840269013
O            -2.9453102688        2.0754648044        1.4072535047
H            -3.7872105669        2.4638960732        1.6436386136
H            -2.9890884807        1.1240588952        1.7276714450
O             2.8141325061       -1.9649337486        1.3583946160
H             2.9806406971       -1.0457461744        1.6264345650
H             2.8499046821       -1.9773391090        0.3861989056
O            -0.0201158905       -0.1009287158       -0.0812516208
H            -0.8051840482        0.3669760988       -0.4367150646
H            -0.2240821167       -1.0616733598       -0.1085235611
O             0.7161065419       -3.0135958070       -2.3237667254
H             0.2210933106       -2.3832142619       -2.8767883432
H             0.1988625708       -3.0734695224       -1.5004268248
O             3.1622297033        2.3345412182        0.1458874242
H             2.4056696918        2.9308911794        0.2791489859
H             2.8879198133        1.7445386982       -0.5858717004
O             0.5567274925        0.6620088750        2.4304764743
H             1.5261027691        0.6419049714        2.4871050763
H             0.3457885847        0.3800720026        1.5129936985
O            -3.0968179443       -0.8378405117       -2.1916156430
H            -2.8765911422        0.0427050185       -1.8403682282
H            -2.3187718294       -1.0904541988       -2.7187474024
    63
 Energy=    -106.839197135240
O             0.6151893060        0.9907955357       -3.7163616448
H             0.1384369597        1.7426132014       -3.3401516356
H             1.2990023157        0.7881426921       -3.0364358604
O            -0.5531302792        3.0781296539        2.2996541976
H            -1.4463609528        2.8292611048        2.0060831489
H            -0.1223859557        2.2204674772        2.5127474161
O            -0.1853670298        3.1701981132       -2.0048045411
H            -0.0906399283        3.9740664129       -2.5163465334
H             0.2660703426        3.3255527475       -1.1487413108
O             0.9145485084        3.8983887416        0.3480845734
H             0.3411963332        3.5755544159        1.1128439854
H             1.0713900124        4.8268263617        0.5193533284
O            -3.1691522601       -0.3989328060        2.1532672294
H            -2.4403754854       -0.7259327931        2.7268684465
H            -3.2264080206       -1.0235274315        1.4122597462
O            -2.0328042034        1.3903728227       -1.0353566856
H            -1.4980435189        2.0945185470       -1.4324575712
H            -2.4066266768        1.7365268218       -0.2018670567
O            -1.0249604652       -1.2532637365        3.5292219858
H            -0.4516133646       -0.4915225439        3.3265977710
H            -0.5437654720       -2.0172785439        3.1800028349
O             0.6536531015       -3.1325220238        2.2962247551
H             1.4653335188       -2.6483206714        1.9851979921
H             0.9655002565       -3.9581657904        2.6635899780
O            -0.6626495602       -2.6963406521       -0.0127378888
H            -1.6294539743       -2.6509392622        0.0928713397
H            -0.2783743174       -2.9506660928        0.8475862171
O             2.9594967735       -2.0253089091       -1.4156377600
H             2.1130515274       -2.4193290136       -1.7771268865
H             3.6767166671       -2.5362018416       -1.7826748005
O             2.1012722349        0.5143939799       -1.5531498350
H             2.5729562794       -0.3298779159       -1.6008689409
H             1.3209847496        0.3283405918       -0.9747732642
O            -0.8252916073       -1.2180059543       -3.7126326776
H            -0.9960667504       -1.4120537575       -4.6339229898
H            -0.2981223547       -0.3729735522       -3.7071726450
O            -3.3170870968       -2.2025708531        0.0282359223
H            -3.2738863574       -1.6933108639       -0.8293172794
H            -4.0942188853       -2.7569979829       -0.0246208937
O             3.2619004711        0.6546158417        2.1403096239
H             3.9818875578        0.8956354304        2.7176688637
H             3.2770781821        1.3014131989        1.3766759779
O            -2.9497336518        2.0723816361        1.4020690668
H            -3.7898985026        2.4623101652        1.6431960321
H            -2.9923503313        1.1231730929        1.7287237551
O             2.8180266408       -1.9708301331        1.3582683965
H             2.9858485635       -1.0551220439        1.6354195555
H             2.8561956363       -1.9733677563        0.3859091492
O            -0.0171925287       -0.1037816679       -0.0807469237
H            -0.7899436186        0.3745015664       -0.4472165158
H            -0.2359012151       -1.0621392231       -0.1076377837
O             0.7200570399       -3.0081410592       -2.3191969915
H             0.2211880653       -2.3826533593       -2.8761932627
H             0.1961404338       -3.0708982680       -1.5018732838
O             3.1776337851        2.3274132630        0.1372171308
H             2.4185903067        2.9230058955        0.2732535187
H             2.8944375557        1.7273224491       -0.5817886564
O             0.5591305011        0.6609290026        2.4321184533
H             1.5296265553        0.6425166529        2.4829614162
H             0.3428809120        0.3800925683        1.5155541056
O            -3.0930988164       -0.8334284794       -2.1926827874
H            -2.8681787750        0.0423155879       -1.8380531470
H            -2.3158280354       -1.0866129913       -2.7239783792
    63
 Energy=    -106.839536672040
O             0.5953054558        0.9893293556       -3.6722562153
H             0.1352534951        1.7612592298       -3.3182156760
H             1.2839238535        0.8113443103       -2.9945384289
O            -0.5532829464        3.0730199098        2.2960785593
H            -1.4477826549        2.8251836797        2.0022734933
H            -0.1242017374        2.2151993405        2.5094933583
O            -0.2241476768        3.2077262722       -2.0276288267
H            -0.1187618025        4.0131183395       -2.5321508951
H             0.2267810585        3.3731391851       -1.1701669858
O             0.9047998783        3.8906423487        0.3337813431
H             0.3404051817        3.5650737011        1.1042638974
H             1.0810765286        4.8154003984        0.5165455769
O            -3.1706223885       -0.3989281997        2.1537410250
H            -2.4425699987       -0.7259324314        2.7283536085
H            -3.2275499268       -1.0234266248        1.4127189599
O            -2.0252992727        1.3914120474       -1.0368125199
H            -1.5129453915        2.1094258728       -1.4400805419
H            -2.3991383995        1.7282219845       -0.1990911608
O            -1.0257658775       -1.2501057015        3.5245333024
H            -0.4492468148       -0.4911271051        3.3202382754
H            -0.5447362635       -2.0174811520        3.1825706799
O             0.6534961591       -3.1308299607        2.2987237732
H             1.4687883314       -2.6545058861        1.9861325443
H             0.9570790056       -3.9621775247        2.6630133787
O            -0.6633262854       -2.6887663056       -0.0115346459
H            -1.6306142256       -2.6449072266        0.0948261713
H            -0.2778410954       -2.9431796657        0.8479798352
O             2.9623901967       -2.0376354123       -1.4136791928
H             2.1165805499       -2.4292507086       -1.7778450892
H             3.6805039880       -2.5456751294       -1.7892804513
O             2.1184914525        0.5000705764       -1.5533892479
H             2.5854353826       -0.3558394934       -1.5768558307
H             1.3382782951        0.3247961028       -0.9772586009
O            -0.8169563045       -1.2213575056       -3.7134105882
H            -0.9833741522       -1.4198615070       -4.6366474777
H            -0.2977295673       -0.3699620519       -3.6910776978
O            -3.3141672726       -2.1979088106        0.0249437410
H            -3.2719660524       -1.6915025150       -0.8346146314
H            -4.0884281129       -2.7578176837       -0.0268451542
O             3.2625853305        0.6514130056        2.1352617274
H             3.9807610722        0.8955786199        2.7180958630
H             3.2850561192        1.2959487426        1.3706225167
O            -2.9513355154        2.0683451489        1.3987684653
H            -3.7904638046        2.4608700257        1.6390430929
H            -2.9954078616        1.1192147066        1.7263315182
O             2.8211564595       -1.9763249691        1.3608363994
H             2.9909400853       -1.0619507243        1.6425266828
H             2.8589342279       -1.9758751284        0.3886494958
O            -0.0125291339       -0.1016391659       -0.0776064295
H            -0.7819892845        0.3787463901       -0.4502169230
H            -0.2380252458       -1.0584843821       -0.1052611937
O             0.7208590130       -3.0094021847       -2.3193953861
H             0.2198508107       -2.3877750303       -2.8781408788
H             0.2019734490       -3.0695222429       -1.4975730066
O             3.1837591033        2.3154520992        0.1361584932
H             2.4285769875        2.9143951605        0.2608676036
H             2.9081177799        1.7079212157       -0.5818282189
O             0.5612987520        0.6608494017        2.4302547077
H             1.5314790031        0.6427568389        2.4796853142
H             0.3433355175        0.3767491897        1.5144902865
O            -3.0912852932       -0.8296009022       -2.1920823973
H            -2.8590155604        0.0460212159       -1.8362710323
H            -2.3202555029       -1.0891134842       -2.7265388852
    63
 Energy=    -106.840110091070
O             0.5436895945        1.0387599510       -3.5834069993
H             0.1016569191        1.8036351911       -3.1893708875
H             1.2599204976        0.8262655251       -2.9488175851
O            -0.5513563906        3.0630617973        2.2707000278
H            -1.4493775610        2.8093053509        1.9947786324
H            -0.1201015577        2.2116812552        2.5024091117
O            -0.3246095103        3.3224049597       -2.0601346997
H            -0.2155460832        4.1101197320       -2.5928055451
H             0.1745004014        3.4764657371       -1.2272196491
O             0.8938114585        3.8714436729        0.2879675336
H             0.3180513093        3.5400770995        1.0462368554
H             1.1046289611        4.7796608599        0.5094973196
O            -3.1838647317       -0.4038421739        2.1582999128
H            -2.4472990819       -0.7225810710        2.7267305602
H            -3.2342596090       -1.0238133858        1.4128303806
O            -2.0145603503        1.3987502860       -1.0393355809
H            -1.5485550101        2.1385583580       -1.4574347402
H            -2.3980032364        1.7289867498       -0.2022737171
O            -1.0272764999       -1.2470269392        3.5207239779
H            -0.4485741348       -0.4897952472        3.3157912937
H            -0.5463968395       -2.0155144561        3.1814446798
O             0.6508153655       -3.1314467989        2.2947159651
H             1.4751788714       -2.6657287428        1.9886139749
H             0.9384199516       -3.9701409570        2.6550638020
O            -0.6597850254       -2.6749398287       -0.0018046879
H            -1.6281021967       -2.6399154965        0.0972890980
H            -0.2814063173       -2.9386039134        0.8584886036
O             2.9791678636       -2.0925519284       -1.4039202061
H             2.1318032734       -2.4749779523       -1.7708890595
H             3.6933325528       -2.5789728816       -1.8147045342
O             2.1577586544        0.4720172877       -1.5224833986
H             2.6287095273       -0.3791803110       -1.5291089919
H             1.3627525013        0.3038944448       -0.9611492143
O            -0.8047644767       -1.2174280219       -3.7061641235
H            -0.9328726893       -1.4115379240       -4.6354537138
H            -0.3213338527       -0.3478634680       -3.6602514388
O            -3.3099978916       -2.1872725689        0.0195938753
H            -3.2712984408       -1.6755210458       -0.8367605884
H            -4.0739063112       -2.7610794061       -0.0406980064
O             3.2760610028        0.6327467791        2.1301397194
H             3.9786627917        0.8927486091        2.7254824732
H             3.2933273779        1.2785976101        1.3680278883
O            -2.9496168232        2.0540306708        1.3890075810
H            -3.7881989770        2.4543380278        1.6164809986
H            -3.0040803689        1.1059349850        1.7206854323
O             2.8315706951       -1.9947350990        1.3756930371
H             3.0021294266       -1.0775417371        1.6476320763
H             2.8656615113       -2.0055771483        0.4039799355
O             0.0053565585       -0.0842844501       -0.0826195896
H            -0.7685107626        0.3982107578       -0.4424034135
H            -0.2206556441       -1.0414093494       -0.0945869224
O             0.7224679612       -3.0357326398       -2.3142380478
H             0.2259157444       -2.4127814214       -2.8751614462
H             0.2148166566       -3.0693211734       -1.4840650135
O             3.1982718652        2.3076544465        0.1241193223
H             2.4216423453        2.8854747062        0.2166454322
H             2.9478604340        1.6749140732       -0.5822027115
O             0.5724719087        0.6521703068        2.4306842734
H             1.5431420553        0.6400154242        2.4753649082
H             0.3539773814        0.3749719036        1.5129112443
O            -3.0891735842       -0.8180993488       -2.1983762521
H            -2.8322715534        0.0515662350       -1.8442944955
H            -2.3252668065       -1.0984883044       -2.7323851880
    63
 Energy=    -106.840189592630
O             0.5386056355        1.0488925042       -3.5767123544
H             0.0971027466        1.8068815891       -3.1694467401
H             1.2613809295        0.8241344079       -2.9507877465
O            -0.5510891926        3.0631736243        2.2657993700
H            -1.4491965593        2.8066771566        1.9922151988
H            -0.1177014932        2.2129399629        2.4987433839
O            -0.3323574289        3.3274371364       -2.0633152844
H            -0.2261533050        4.1169317175       -2.5938487041
H             0.1695152118        3.4868807169       -1.2342145999
O             0.8932559984        3.8700457849        0.2810358135
H             0.3178767067        3.5368585576        1.0398309999
H             1.1073176383        4.7757318306        0.5067791545
O            -3.1844871477       -0.4042097872        2.1582717276
H            -2.4485997166       -0.7238938150        2.7271668846
H            -3.2361054763       -1.0247576439        1.4133553417
O            -2.0131622831        1.3997650792       -1.0399072003
H            -1.5518427750        2.1416645689       -1.4570803930
H            -2.3997686734        1.7307115730       -0.2044150395
O            -1.0280023439       -1.2472201315        3.5200678761
H            -0.4486866379       -0.4896679806        3.3175760379
H            -0.5467783265       -2.0150552421        3.1803746528
O             0.6501015182       -3.1326120601        2.2963040078
H             1.4739053547       -2.6657920879        1.9900643093
H             0.9383996029       -3.9719956503        2.6539518903
O            -0.6575889271       -2.6724748211       -0.0017603011
H            -1.6262491768       -2.6374810375        0.0954408090
H            -0.2803489852       -2.9381378097        0.8585165524
O             2.9822398702       -2.0963099777       -1.4041657667
H             2.1337722613       -2.4796247902       -1.7682204429
H             3.6951935292       -2.5831366957       -1.8154561833
O             2.1580849436        0.4690119714       -1.5231272575
H             2.6280491041       -0.3816394431       -1.5319209844
H             1.3690286833        0.2982478467       -0.9554996109
O            -0.8037163605       -1.2171413673       -3.7038288019
H            -0.9266186823       -1.4052407813       -4.6345795481
H            -0.3255278794       -0.3453201665       -3.6556905543
O            -3.3105514941       -2.1865576854        0.0190988718
H            -3.2711982201       -1.6730278882       -0.8363989531
H            -4.0734925740       -2.7614155559       -0.0430964496
O             3.2762256708        0.6339512857        2.1299829112
H             3.9785428411        0.8918424908        2.7254054268
H             3.2955284424        1.2808418645        1.3676977837
O            -2.9500786097        2.0526222553        1.3887912933
H            -3.7892308701        2.4537096503        1.6131857658
H            -3.0048369564        1.1044348198        1.7209943511
O             2.8319844065       -1.9980380270        1.3772342581
H             3.0032331905       -1.0800097145        1.6464649741
H             2.8693744525       -2.0133788993        0.4059674539
O             0.0042832972       -0.0832453239       -0.0761620942
H            -0.7651591983        0.3994223514       -0.4443879286
H            -0.2210133381       -1.0404978896       -0.0978340260
O             0.7210383932       -3.0387944072       -2.3110515598
H             0.2286916547       -2.4136369810       -2.8739641803
H             0.2120445371       -3.0723649987       -1.4819273136
O             3.1955182543        2.3057041368        0.1272489716
H             2.4194047885        2.8851700342        0.2158886049
H             2.9526551880        1.6763150226       -0.5838155989
O             0.5746891884        0.6535156702        2.4311491038
H             1.5453665729        0.6367495214        2.4770884030
H             0.3570974282        0.3768684019        1.5128532123
O            -3.0870430423       -0.8179586354       -2.1977447232
H            -2.8324538648        0.0526403062       -1.8465435585
H            -2.3239573978       -1.0983789428       -2.7341320136
    63
 Energy=    -106.840237421130
O             0.5341749309        1.0540260488       -3.5694692739
H             0.0935670118        1.8101547782       -3.1567312676
H             1.2580121869        0.8254485150       -2.9460633137
O            -0.5508582726        3.0630671847        2.2621109005
H            -1.4487403930        2.8046482583        1.9902178203
H            -0.1162607200        2.2135926443        2.4958461022
O            -0.3384128507        3.3347820713       -2.0665471607
H            -0.2358711240        4.1248905517       -2.5976780408
H             0.1646939982        3.4929656301       -1.2374628958
O             0.8927402609        3.8681869958        0.2756411428
H             0.3177545770        3.5342461141        1.0341306020
H             1.1093387860        4.7720323224        0.5042225008
O            -3.1853001345       -0.4048019648        2.1586026647
H            -2.4494287221       -0.7246581264        2.7272786081
H            -3.2372812359       -1.0253373787        1.4136521619
O            -2.0126912838        1.4009537559       -1.0407155906
H            -1.5547299848        2.1444032572       -1.4573200194
H            -2.4006808142        1.7309914580       -0.2052023438
O            -1.0284092586       -1.2468795838        3.5197446809
H            -0.4488319557       -0.4895753724        3.3183299723
H            -0.5469848877       -2.0149344449        3.1795787915
O             0.6495605546       -3.1334982519        2.2974531156
H             1.4729789610       -2.6661913150        1.9912946606
H             0.9381502034       -3.9733527591        2.6531522042
O            -0.6564514962       -2.6710056661       -0.0018533188
H            -1.6249037690       -2.6354589926        0.0944914762
H            -0.2797531155       -2.9372769805        0.8585858910
O             2.9844058563       -2.1005308103       -1.4036861625
H             2.1353665695       -2.4832834048       -1.7660661493
H             3.6968823209       -2.5867837874       -1.8163670809
O             2.1602433666        0.4657609907       -1.5219734077
H             2.6302292506       -0.3851247320       -1.5347414508
H             1.3722741497        0.2952372297       -0.9522446480
O            -0.8024119362       -1.2165558106       -3.7017164552
H            -0.9210843067       -1.4003556089       -4.6334109306
H            -0.3278572689       -0.3429869176       -3.6530829360
O            -3.3109002853       -2.1861780609        0.0186717181
H            -3.2709926225       -1.6714505701       -0.8361710865
H            -4.0727832879       -2.7614365521       -0.0449310805
O             3.2771316794        0.6341567555        2.1294977852
H             3.9785547431        0.8911596962        2.7256788144
H             3.2966363263        1.2818737780        1.3680458614
O            -2.9503802586        2.0517066139        1.3884245803
H            -3.7900197607        2.4529153863        1.6108497034
H            -3.0055233258        1.1036814620        1.7209017280
O             2.8327471204       -2.0005573237        1.3788741134
H             3.0039821033       -1.0819673958        1.6455971834
H             2.8721094428       -2.0189109753        0.4075279504
O             0.0049329164       -0.0828123683       -0.0736872122
H            -0.7624586496        0.4010700082       -0.4455659938
H            -0.2206672307       -1.0393410275       -0.0995044940
O             0.7206606650       -3.0413745476       -2.3093206956
H             0.2304490960       -2.4145424850       -2.8720909755
H             0.2102806719       -3.0736416401       -1.4809949878
O             3.1950359068        2.3045399784        0.1288004971
H             2.4174689162        2.8836108633        0.2143937596
H             2.9557469895        1.6768206002       -0.5852401418
O             0.5764673857        0.6542526522        2.4316245996
H             1.5464899071        0.6346741910        2.4780373469
H             0.3591711452        0.3780547091        1.5127503998
O            -3.0861101266       -0.8178461021       -2.1977541124
H            -2.8317337832        0.0534574569       -1.8480193506
H            -2.3232140350       -1.0979533982       -2.7348872799
    63
 Energy=    -106.840374048860
O             0.5058499214        1.0715823712       -3.5302001157
H             0.0750586905        1.8334661934       -3.1169537689
H             1.2386823424        0.8464450285       -2.9194263110
O            -0.5461056182        3.0617328334        2.2386914118
H            -1.4448402693        2.7973850846        1.9754429248
H            -0.1058313414        2.2171097851        2.4792098426
O            -0.3547374315        3.3482704149       -2.0808872588
H            -0.2789007120        4.1472994189       -2.6029824566
H             0.1522819373        3.5002380240       -1.2520471509
O             0.8903871428        3.8598735559        0.2510742478
H             0.3161712788        3.5251482330        1.0106162955
H             1.1185681578        4.7600673757        0.4852645571
O            -3.1899488660       -0.4084366876        2.1609284825
H            -2.4529900652       -0.7290190577        2.7278460585
H            -3.2431534819       -1.0288480672        1.4159714489
O            -2.0157624467        1.4089947235       -1.0462321154
H            -1.5615215759        2.1589278404       -1.4574486279
H            -2.4045562423        1.7268020775       -0.2067514679
O            -1.0292518072       -1.2457880573        3.5181721629
H            -0.4491395879       -0.4874295425        3.3217723389
H            -0.5489110393       -2.0130878604        3.1760270743
O             0.6459807216       -3.1387189617        2.3032326489
H             1.4673719618       -2.6676047215        1.9993144585
H             0.9400410340       -3.9808871644        2.6501038871
O            -0.6542440113       -2.6684838736       -0.0046917082
H            -1.6225216373       -2.6253450536        0.0920988688
H            -0.2770708561       -2.9315147927        0.8560665588
O             2.9945074959       -2.1191163990       -1.3993961493
H             2.1415501567       -2.4989366481       -1.7555417013
H             3.7033922939       -2.6075390577       -1.8163039507
O             2.1764713171        0.4501512785       -1.5222561847
H             2.6345326770       -0.4071438704       -1.5519505155
H             1.3902330654        0.2851175441       -0.9497499463
O            -0.7897850390       -1.2038096165       -3.6950613279
H            -0.9036390979       -1.3795199597       -4.6296771844
H            -0.3303196133       -0.3222914031       -3.6302878485
O            -3.3103388092       -2.1854594414        0.0171895076
H            -3.2677523208       -1.6679877163       -0.8357191363
H            -4.0715705640       -2.7612572983       -0.0540613351
O             3.2825278118        0.6312013451        2.1275925440
H             3.9820337249        0.8885588104        2.7272087752
H             3.2961193040        1.2871410569        1.3734724030
O            -2.9536317573        2.0487991739        1.3853754804
H            -3.7969170334        2.4473838687        1.6021647935
H            -3.0080323288        1.1021864965        1.7202273640
O             2.8370340713       -2.0129660273        1.3835428143
H             3.0064606816       -1.0906258454        1.6381225812
H             2.8879989740       -2.0438231475        0.4132814010
O             0.0092370538       -0.0808801523       -0.0747223395
H            -0.7538563807        0.4084234683       -0.4477666629
H            -0.2223899048       -1.0357366040       -0.1009824763
O             0.7212814558       -3.0495527317       -2.3013134039
H             0.2392176402       -2.4153204402       -2.8614880698
H             0.2022185087       -3.0833158514       -1.4778069026
O             3.1915957390        2.3101694755        0.1289507885
H             2.4062577528        2.8780317376        0.2165363596
H             2.9603847091        1.6827248651       -0.5872125559
O             0.5837110299        0.6588409759        2.4385177783
H             1.5541424707        0.6273130568        2.4872104352
H             0.3648518831        0.3838888172        1.5203884664
O            -3.0824348217       -0.8163605912       -2.2004470949
H            -2.8323972817        0.0580136246       -1.8537841789
H            -2.3170899622       -1.0937243128       -2.7349553334
    63
 Energy=    -106.840403508320
O             0.5026638735        1.0747899997       -3.5233171615
H             0.0733105585        1.8374899381       -3.1097825279
H             1.2374371119        0.8481784017       -2.9144527274
O            -0.5448610297        3.0608255475        2.2339947132
H            -1.4439587763        2.7967882713        1.9714672544
H            -0.1046398109        2.2167977437        2.4764812460
O            -0.3636774632        3.3544809243       -2.0813208937
H            -0.2872171754        4.1529409832       -2.6040594327
H             0.1475712305        3.5053368811       -1.2549757341
O             0.8909750616        3.8581318025        0.2473624823
H             0.3154299899        3.5250547806        1.0066135508
H             1.1200804199        4.7578227772        0.4809238510
O            -3.1910449937       -0.4091184698        2.1613272129
H            -2.4537653182       -0.7292498596        2.7280438280
H            -3.2442266972       -1.0294454084        1.4162674332
O            -2.0143470141        1.4090286103       -1.0466314589
H            -1.5647483251        2.1609790435       -1.4578348203
H            -2.4039967803        1.7261116778       -0.2071656567
O            -1.0293330310       -1.2449023786        3.5177740875
H            -0.4490581304       -0.4871791421        3.3213215889
H            -0.5490272508       -2.0128648157        3.1760714469
O             0.6457049127       -3.1397940799        2.3032094715
H             1.4675288783       -2.6685362033        2.0008404617
H             0.9389063200       -3.9820768581        2.6497590309
O            -0.6548016096       -2.6665944783       -0.0042369049
H            -1.6232034423       -2.6239661789        0.0926917830
H            -0.2773337805       -2.9303598576        0.8563567974
O             2.9953297017       -2.1231463197       -1.3983451305
H             2.1420589890       -2.5021430275       -1.7543441601
H             3.7039257335       -2.6115910254       -1.8162021602
O             2.1782572956        0.4472042753       -1.5217649110
H             2.6339279880       -0.4110582094       -1.5552877975
H             1.3935783050        0.2814364941       -0.9476900894
O            -0.7884124063       -1.2042679001       -3.6919906423
H            -0.8989409099       -1.3736205881       -4.6273830332
H            -0.3312846394       -0.3217189736       -3.6260028683
O            -3.3100988115       -2.1851187533        0.0162142123
H            -3.2664604265       -1.6674714413       -0.8368392647
H            -4.0704854169       -2.7611941925       -0.0553080323
O             3.2835303166        0.6301161362        2.1279804236
H             3.9827519396        0.8878613063        2.7270731525
H             3.2961415607        1.2857224930        1.3734716994
O            -2.9553220697        2.0480444058        1.3850932845
H            -3.7978862323        2.4459554653        1.6007855425
H            -3.0090419555        1.1012453454        1.7204128715
O             2.8379428298       -2.0148085002        1.3843115726
H             3.0076180209       -1.0927678432        1.6377167747
H             2.8906225430       -2.0473868471        0.4139982117
O             0.0109343445       -0.0787868956       -0.0756902310
H            -0.7518397844        0.4101733054       -0.4492768991
H            -0.2219131904       -1.0337877993       -0.1009647366
O             0.7219285894       -3.0497372562       -2.3005243528
H             0.2407758644       -2.4142591811       -2.8607460845
H             0.2028755459       -3.0847300184       -1.4775336119
O             3.1916252152        2.3110783533        0.1277181548
H             2.4050243724        2.8767302311        0.2153336758
H             2.9614638776        1.6820113205       -0.5863784923
O             0.5849992942        0.6581751091        2.4397141617
H             1.5553970864        0.6273536446        2.4881073841
H             0.3656574314        0.3838422384        1.5215001408
O            -3.0813430260       -0.8152943176       -2.2010255470
H            -2.8319538290        0.0585218170       -1.8544203052
H            -2.3152407742       -1.0924949049       -2.7349323559
    63
 Energy=    -106.840429321860
O             0.4990593164        1.0788768392       -3.5162820368
H             0.0719947444        1.8434011914       -3.1030766006
H             1.2359241639        0.8539277736       -2.9092515681
O            -0.5431872741        3.0598738808        2.2274855984
H            -1.4422399562        2.7959901288        1.9647658572
H            -0.1033189268        2.2162444653        2.4723507126
O            -0.3734217182        3.3587662811       -2.0799993863
H            -0.2973676575        4.1564468530       -2.6033178570
H             0.1452334121        3.5070066158       -1.2573683427
O             0.8913421041        3.8571809087        0.2416960345
H             0.3145979786        3.5265623408        1.0016594835
H             1.1219037301        4.7568353237        0.4735638158
O            -3.1924821327       -0.4098774133        2.1617113712
H            -2.4548839836       -0.7294396431        2.7284746198
H            -3.2458277208       -1.0303872187        1.4168405545
O            -2.0132329765        1.4084679955       -1.0462507367
H            -1.5683078507        2.1626636803       -1.4581685270
H            -2.4036966812        1.7249943760       -0.2073587383
O            -1.0295956949       -1.2438590052        3.5171269605
H            -0.4487104179       -0.4868126457        3.3209787722
H            -0.5490936825       -2.0123752886        3.1764676682
O             0.6457050762       -3.1407520283        2.3029745842
H             1.4683521619       -2.6700889851        2.0021704909
H             0.9372209594       -3.9837081804        2.6493704048
O            -0.6565511695       -2.6638539235       -0.0031659003
H            -1.6248854119       -2.6233794184        0.0944194534
H            -0.2786250040       -2.9295885846        0.8567255412
O             2.9961625632       -2.1289074604       -1.3966119978
H             2.1422029951       -2.5064730426       -1.7530280139
H             3.7037754852       -2.6179060903       -1.8150187146
O             2.1807654403        0.4436656927       -1.5230161470
H             2.6340089017       -0.4159331292       -1.5590907345
H             1.3966110428        0.2784808731       -0.9477566791
O            -0.7858875282       -1.2035198837       -3.6876422430
H            -0.8946867975       -1.3655802816       -4.6242560833
H            -0.3315963489       -0.3201592427       -3.6179082645
O            -3.3096860638       -2.1841012021        0.0146797557
H            -3.2643275889       -1.6675183910       -0.8391766341
H            -4.0691735067       -2.7611430709       -0.0570615275
O             3.2840103637        0.6291451645        2.1280635078
H             3.9844675915        0.8870294410        2.7261497914
H             3.2962673860        1.2836581303        1.3728524501
O            -2.9571134136        2.0466515309        1.3848141395
H            -3.8001587434        2.4439474510        1.5995603752
H            -3.0106734812        1.0998477467        1.7206466435
O             2.8389815564       -2.0170194449        1.3845348659
H             3.0094465603       -1.0954445704        1.6371148034
H             2.8938008600       -2.0514947646        0.4141529456
O             0.0124228704       -0.0755157430       -0.0757096495
H            -0.7503192963        0.4118715676       -0.4512072861
H            -0.2210313643       -1.0304035462       -0.1002535507
O             0.7235239204       -3.0494414102       -2.3006165201
H             0.2427494840       -2.4121478532       -2.8592269418
H             0.2048534204       -3.0864064992       -1.4777390005
O             3.1904370785        2.3115354724        0.1282493173
H             2.4033775346        2.8766090274        0.2141211374
H             2.9613475960        1.6811826068       -0.5847576531
O             0.5863344489        0.6571864498        2.4418075340
H             1.5567946265        0.6281815990        2.4896148293
H             0.3668918797        0.3829143369        1.5236158694
O            -3.0797866307       -0.8141833323       -2.2018762497
H            -2.8320403942        0.0596339531       -1.8549838743
H            -2.3121467335       -1.0906008002       -2.7340729485
    63
 Energy=    -106.840440189300
O             0.4971577805        1.0828391510       -3.5121403048
H             0.0714236641        1.8484609785       -3.0991299537
H             1.2353269982        0.8602362753       -2.9066333913
O            -0.5418209600        3.0592660572        2.2218087968
H            -1.4404587693        2.7952297077        1.9580235511
H            -0.1024941558        2.2156839455        2.4683348791
O            -0.3800398140        3.3595552018       -2.0773059026
H            -0.3054063142        4.1569448284       -2.6012047129
H             0.1453228576        3.5051299064       -1.2581011380
O             0.8913908844        3.8575079088        0.2367471666
H             0.3144035268        3.5289601702        0.9974780892
H             1.1232992766        4.7576135804        0.4660983274
O            -3.1937406938       -0.4105575709        2.1621256794
H            -2.4559664822       -0.7294860679        2.7288016345
H            -3.2472155186       -1.0312544239        1.4173827709
O            -2.0128604599        1.4073669580       -1.0455714299
H            -1.5707629167        2.1632035009       -1.4584492523
H            -2.4040141460        1.7239481394       -0.2067212866
O            -1.0299775340       -1.2433431966        3.5166050947
H            -0.4482148909       -0.4863673854        3.3208305797
H            -0.5491271840       -2.0118201495        3.1770326555
O             0.6459675039       -3.1413231524        2.3027878407
H             1.4694292668       -2.6717263332        2.0026933494
H             0.9356286373       -3.9850287593        2.6490611307
O            -0.6582088500       -2.6615243959       -0.0020076066
H            -1.6268892844       -2.6235017308        0.0964350198
H            -0.2803684901       -2.9292855454        0.8569966506
O             2.9963641295       -2.1336555989       -1.3949128449
H             2.1420330680       -2.5099665768       -1.7520779300
H             3.7033392791       -2.6241073590       -1.8133137365
O             2.1824887686        0.4407141852       -1.5248940724
H             2.6343761613       -0.4194932925       -1.5621955692
H             1.3982780315        0.2772095443       -0.9495307432
O            -0.7834909422       -1.2021135684       -3.6837293670
H            -0.8925800768       -1.3587449676       -4.6216453116
H            -0.3309454813       -0.3181039887       -3.6089353104
O            -3.3093886279       -2.1828852643        0.0132335074
H            -3.2623707778       -1.6680462734       -0.8416486315
H            -4.0681781461       -2.7610650316       -0.0587511305
O             3.2842255672        0.6286631188        2.1281433768
H             3.9861261239        0.8862489531        2.7244703292
H             3.2964373718        1.2819028919        1.3719091227
O            -2.9586738561        2.0452703841        1.3848130134
H            -3.8024546770        2.4420326349        1.5989001177
H            -3.0122428647        1.0986749226        1.7208001947
O             2.8398711995       -2.0192461285        1.3840495780
H             3.0112346196       -1.0972024025        1.6366509722
H             2.8961696268       -2.0544005516        0.4138710032
O             0.0131921620       -0.0725550429       -0.0746899486
H            -0.7496000543        0.4132426309       -0.4528586666
H            -0.2200571786       -1.0272540151       -0.0991968817
O             0.7252913880       -3.0490563715       -2.3014181102
H             0.2443724653       -2.4096831216       -2.8576408395
H             0.2070360475       -3.0874952015       -1.4781407144
O             3.1885226026        2.3108688482        0.1300111069
H             2.4019786636        2.8777188397        0.2133918634
H             2.9602638867        1.6806470196       -0.5830643920
O             0.5872877857        0.6565069939        2.4438904623
H             1.5576599865        0.6293416510        2.4910782299
H             0.3681144659        0.3815091689        1.5256401415
O            -3.0784694834       -0.8137285700       -2.2028333725
H            -2.8325171008        0.0611120626       -1.8550484510
H            -2.3089669590       -1.0888305245       -2.7327957553
    63
 Energy=    -106.840511128880
O             0.5037702134        1.0965294489       -3.5118396477
H             0.0713878650        1.8547848414       -3.0926783781
H             1.2420435868        0.8687906406       -2.9083823634
O            -0.5419758492        3.0579420633        2.2052479002
H            -1.4401367040        2.7914660117        1.9412868140
H            -0.1033171547        2.2150123103        2.4550026541
O            -0.3907965398        3.3575271269       -2.0719211803
H            -0.3258369712        4.1590971144       -2.5916595139
H             0.1335789084        3.5052765801       -1.2522145973
O             0.8968542642        3.8662026901        0.2238523990
H             0.3225335799        3.5350406121        0.9859028308
H             1.1234734948        4.7696344560        0.4457987664
O            -3.1998261995       -0.4142570908        2.1649173940
H            -2.4583123610       -0.7297026762        2.7284658802
H            -3.2486947899       -1.0314830068        1.4168387690
O            -2.0196501224        1.4022783130       -1.0406990815
H            -1.5790232079        2.1572798479       -1.4582916747
H            -2.4083399613        1.7183573754       -0.2000312982
O            -1.0305456814       -1.2436118140        3.5166699137
H            -0.4494129359       -0.4865090845        3.3217482030
H            -0.5485527702       -2.0126802683        3.1783311275
O             0.6471407238       -3.1405531865        2.3036746014
H             1.4733677076       -2.6796006916        1.9977176027
H             0.9302517545       -3.9871199480        2.6483956873
O            -0.6568732953       -2.6592942523       -0.0002337041
H            -1.6256727239       -2.6183237026        0.0957892083
H            -0.2819232401       -2.9258933836        0.8604487646
O             2.9984192425       -2.1406949145       -1.3958146780
H             2.1431579994       -2.5159974801       -1.7506472583
H             3.7027109544       -2.6434235105       -1.8043723150
O             2.1819315568        0.4368501727       -1.5268717153
H             2.6377518586       -0.4210311274       -1.5620579659
H             1.3972621967        0.2733332461       -0.9519560740
O            -0.7755064967       -1.1901187753       -3.6700475045
H            -0.8905398367       -1.3425480855       -4.6083083204
H            -0.3222558859       -0.3067122336       -3.5890137605
O            -3.3109783602       -2.1802203983        0.0093705504
H            -3.2627881711       -1.6662917824       -0.8459299953
H            -4.0678420888       -2.7607778350       -0.0670802607
O             3.2875142785        0.6226331940        2.1266366692
H             3.9919195288        0.8827549647        2.7181197939
H             3.2938861517        1.2778938833        1.3713734456
O            -2.9623249754        2.0409288566        1.3847576848
H            -3.8069804266        2.4380223722        1.5986309880
H            -3.0166409875        1.0944471797        1.7213397334
O             2.8473795525       -2.0246949015        1.3855031320
H             3.0145370415       -1.1023253444        1.6374817586
H             2.8956221733       -2.0564192308        0.4136691527
O             0.0175412235       -0.0697663830       -0.0727830686
H            -0.7436886601        0.4209110572       -0.4493585350
H            -0.2173720732       -1.0240895129       -0.0939251290
O             0.7228934823       -3.0519042550       -2.3010904620
H             0.2483207004       -2.4057171802       -2.8552120270
H             0.2077417771       -3.0826884298       -1.4755209843
O             3.1831362246        2.3011991380        0.1320080998
H             2.4026784788        2.8768843423        0.2089413601
H             2.9563618418        1.6729181049       -0.5840261452
O             0.5876677791        0.6594889814        2.4427861307
H             1.5586279666        0.6312895063        2.4944044307
H             0.3727024526        0.3781017825        1.5262844649
O            -3.0769975845       -0.8119336116       -2.2051794444
H            -2.8331944786        0.0610055668       -1.8522072645
H            -2.3016549238       -1.0867400840       -2.7285320842
    63
 Energy=    -106.840532210320
O             0.5047870225        1.1041791592       -3.5076681585
H             0.0726762119        1.8616727642       -3.0856692930
H             1.2458166106        0.8781616168       -2.9069773600
O            -0.5412809758        3.0567285925        2.1893771022
H            -1.4398185220        2.7895137364        1.9288840739
H            -0.1025256215        2.2152742283        2.4444687685
O            -0.4028421777        3.3587976829       -2.0691593053
H            -0.3442659297        4.1625083777       -2.5856024254
H             0.1234796242        3.5082572699       -1.2505450663
O             0.9007529565        3.8710344018        0.2139234459
H             0.3280033393        3.5403174025        0.9764301165
H             1.1231242158        4.7764423496        0.4312909913
O            -3.2030600787       -0.4164087041        2.1659991559
H            -2.4607995353       -0.7307842078        2.7291359979
H            -3.2510110130       -1.0321937226        1.4166431687
O            -2.0217315998        1.3981948186       -1.0369866558
H            -1.5873929224        2.1546251045       -1.4567288558
H            -2.4112264833        1.7144319163       -0.1972332873
O            -1.0312021231       -1.2437933589        3.5155718156
H            -0.4498432060       -0.4862384369        3.3223709123
H            -0.5482141900       -2.0123929006        3.1795365418
O             0.6481486350       -3.1408044851        2.3030627299
H             1.4768683705       -2.6843906063        1.9961227197
H             0.9261222299       -3.9890527881        2.6479233381
O            -0.6559942442       -2.6551608589        0.0018497884
H            -1.6250796366       -2.6140167007        0.0946669078
H            -0.2824401384       -2.9231745488        0.8628393349
O             3.0004187733       -2.1472007749       -1.3960267812
H             2.1438799242       -2.5215439404       -1.7500481860
H             3.7025965861       -2.6582960711       -1.7973993108
O             2.1837839915        0.4330410281       -1.5284967366
H             2.6400761949       -0.4245549300       -1.5619868833
H             1.3988811236        0.2689121192       -0.9533464528
O            -0.7683184044       -1.1812566042       -3.6579530557
H            -0.8865290646       -1.3277736309       -4.5965694546
H            -0.3161509899       -0.2968757373       -3.5781454910
O            -3.3116916185       -2.1788334263        0.0060168401
H            -3.2626620961       -1.6636932423       -0.8493249577
H            -4.0670984603       -2.7607567407       -0.0729500109
O             3.2895011509        0.6182686781        2.1261383487
H             3.9969019560        0.8792298283        2.7146233162
H             3.2913568677        1.2732141628        1.3711765685
O            -2.9662131342        2.0371193813        1.3849141434
H            -3.8100197428        2.4347675300        1.5977186703
H            -3.0205548682        1.0908113935        1.7224586428
O             2.8510914973       -2.0296148421        1.3851992733
H             3.0176742250       -1.1069464958        1.6389510315
H             2.8971335820       -2.0599246741        0.4143500623
O             0.0214979735       -0.0671686613       -0.0720037453
H            -0.7397856614        0.4240274694       -0.4463020244
H            -0.2171555341       -1.0208720721       -0.0914527097
O             0.7224389906       -3.0527821298       -2.2990185145
H             0.2512652319       -2.4043111123       -2.8530281892
H             0.2070425530       -3.0805618144       -1.4736578673
O             3.1814981683        2.2964936017        0.1306670866
H             2.4025449761        2.8742669826        0.2049482297
H             2.9532562718        1.6672021646       -0.5837972489
O             0.5896747313        0.6601473076        2.4438465577
H             1.5596369297        0.6323601943        2.4970563773
H             0.3760015645        0.3770673839        1.5264501206
O            -3.0756559234       -0.8115754470       -2.2068989028
H            -2.8335926041        0.0611012395       -1.8507670750
H            -2.2972648791       -1.0844586172       -2.7253586950
    63
 Energy=    -106.840557150570
O             0.5081118470        1.1151856976       -3.5042679710
H             0.0746973446        1.8702732487       -3.0802042185
H             1.2496228085        0.8879135664       -2.9050949864
O            -0.5394665242        3.0572518701        2.1744080968
H            -1.4399967884        2.7889143985        1.9185320460
H            -0.1006692489        2.2174814782        2.4328266647
O            -0.4159601999        3.3614708241       -2.0665352898
H            -0.3647148998        4.1658197262       -2.5827417800
H             0.1172890942        3.5095569903       -1.2516643908
O             0.9039305061        3.8759669800        0.2056314193
H             0.3302219404        3.5449618144        0.9675231068
H             1.1212821906        4.7832561281        0.4213147000
O            -3.2044848158       -0.4183003070        2.1650245496
H            -2.4637295004       -0.7344244522        2.7299512062
H            -3.2540262306       -1.0341764318        1.4170173515
O            -2.0197487421        1.3937657339       -1.0324161000
H            -1.5940066039        2.1538021977       -1.4547087214
H            -2.4167334410        1.7097428121       -0.1946626594
O            -1.0323885999       -1.2438889374        3.5140631394
H            -0.4496557578       -0.4853785732        3.3221416565
H            -0.5469742796       -2.0111551524        3.1796864296
O             0.6494827115       -3.1414841526        2.3007904132
H             1.4804021220       -2.6862696605        1.9981866403
H             0.9236147029       -3.9905564230        2.6474177008
O            -0.6560452536       -2.6471382550        0.0037569552
H            -1.6243890788       -2.6108388801        0.0940052419
H            -0.2832053641       -2.9199990713        0.8637504227
O             3.0017372262       -2.1538378247       -1.3941933380
H             2.1446251551       -2.5239949122       -1.7513790813
H             3.7030550895       -2.6709717002       -1.7890171812
O             2.1890443893        0.4280747735       -1.5284003796
H             2.6446101313       -0.4300598483       -1.5613480074
H             1.4010308394        0.2655675454       -0.9567749971
O            -0.7607855817       -1.1704883150       -3.6486855642
H            -0.8846717570       -1.3184307831       -4.5862084584
H            -0.3091400633       -0.2852685215       -3.5708155824
O            -3.3115063732       -2.1781181607        0.0033971767
H            -3.2629764304       -1.6609913780       -0.8509876834
H            -4.0655715416       -2.7609758948       -0.0772814978
O             3.2883964719        0.6158998918        2.1283251240
H             4.0017240934        0.8735317939        2.7109030439
H             3.2911344800        1.2666434646        1.3700972760
O            -2.9700160559        2.0336174754        1.3862881868
H            -3.8134817725        2.4325030094        1.5975908592
H            -3.0250723285        1.0876663214        1.7248620420
O             2.8507395112       -2.0345670442        1.3841897835
H             3.0207256098       -1.1130668962        1.6414329950
H             2.9003665497       -2.0634740084        0.4130822057
O             0.0222430024       -0.0669476505       -0.0695999353
H            -0.7398435032        0.4231741595       -0.4428547751
H            -0.2160552291       -1.0192958339       -0.0917002548
O             0.7225247530       -3.0533481340       -2.2950159347
H             0.2537783508       -2.4050247039       -2.8499921332
H             0.2041274227       -3.0796847009       -1.4706563344
O             3.1822435837        2.2923555030        0.1278159679
H             2.4033869440        2.8718015026        0.2002931148
H             2.9515765335        1.6608561069       -0.5843145524
O             0.5912083883        0.6585822323        2.4450764826
H             1.5611423088        0.6313259108        2.4990572760
H             0.3798031540        0.3799045422        1.5279364068
O            -3.0759854882       -0.8114771100       -2.2083122125
H            -2.8355511425        0.0605698907       -1.8498494752
H            -2.2945155537       -1.0830462737       -2.7231827017
    63
 Energy=    -106.840581377570
O             0.5190518338        1.1227242030       -3.5098538876
H             0.0799742561        1.8732065274       -3.0828249882
H             1.2557455571        0.8895573460       -2.9070121754
O            -0.5408090889        3.0588692053        2.1708335106
H            -1.4398873817        2.7901632808        1.9150240319
H            -0.0994160022        2.2190313190        2.4262602892
O            -0.4217917695        3.3608856074       -2.0633212430
H            -0.3738316517        4.1652833792       -2.5804174980
H             0.1166329093        3.5100406466       -1.2524847906
O             0.9063990249        3.8813323307        0.2035004430
H             0.3313657830        3.5473000898        0.9628762751
H             1.1178412304        4.7895748031        0.4203951025
O            -3.2063893994       -0.4219578346        2.1659200378
H            -2.4640582374       -0.7375510436        2.7286468371
H            -3.2543614530       -1.0364863148        1.4159628574
O            -2.0230957223        1.3914072629       -1.0300375928
H            -1.5946202479        2.1508243112       -1.4505214432
H            -2.4196388731        1.7052613620       -0.1927388799
O            -1.0306334348       -1.2441360259        3.5138831006
H            -0.4516324563       -0.4849592579        3.3206871353
H            -0.5458623361       -2.0108811198        3.1778351270
O             0.6490530218       -3.1410578115        2.3015076965
H             1.4795576793       -2.6858656348        1.9991328001
H             0.9250073998       -3.9909174476        2.6471241761
O            -0.6562847599       -2.6466486929        0.0026027539
H            -1.6253789026       -2.6081220877        0.0942786894
H            -0.2820444398       -2.9161005886        0.8634372022
O             3.0020308962       -2.1527003559       -1.3936726959
H             2.1446740708       -2.5217927919       -1.7511784166
H             3.7031244028       -2.6753925498       -1.7814729335
O             2.1878878383        0.4258153455       -1.5293092259
H             2.6461539411       -0.4307798827       -1.5612261139
H             1.4006092859        0.2622866716       -0.9571679298
O            -0.7572644880       -1.1635878784       -3.6449902696
H            -0.8867402667       -1.3174972673       -4.5809145062
H            -0.3033884549       -0.2792601369       -3.5742803774
O            -3.3120263801       -2.1786740600        0.0036005577
H            -3.2639855913       -1.6607586666       -0.8500656152
H            -4.0654040757       -2.7621961085       -0.0778955785
O             3.2879437497        0.6136391814        2.1289560642
H             4.0046022657        0.8684278266        2.7084401709
H             3.2919134504        1.2637274153        1.3697715791
O            -2.9725630288        2.0337838950        1.3884514919
H            -3.8162816179        2.4324690076        1.6005262426
H            -3.0268786117        1.0877766196        1.7271263618
O             2.8525610953       -2.0365515726        1.3838656606
H             3.0198400023       -1.1157906682        1.6424375715
H             2.8998411755       -2.0627305714        0.4122889237
O             0.0239370607       -0.0667819390       -0.0706237892
H            -0.7422747668        0.4216035908       -0.4396763320
H            -0.2124798242       -1.0222696304       -0.0920347869
O             0.7195931948       -3.0550779485       -2.2924475294
H             0.2540689169       -2.4038634054       -2.8479065623
H             0.2023544668       -3.0776731628       -1.4674996757
O             3.1827082879        2.2872163740        0.1267090623
H             2.4082731799        2.8712155104        0.1975852829
H             2.9527973870        1.6575258363       -0.5864872705
O             0.5908095165        0.6618505942        2.4452841306
H             1.5607501658        0.6288519195        2.5009294739
H             0.3794634069        0.3814354616        1.5256973461
O            -3.0782427013       -0.8116779168       -2.2094380875
H            -2.8380669015        0.0598842431       -1.8484955993
H            -2.2947224813       -1.0824731960       -2.7220727132
    63
 Energy=    -106.840585042270
O             0.5211851669        1.1254068091       -3.5099158278
H             0.0818051981        1.8753869643       -3.0825411743
H             1.2570528379        0.8919296550       -2.9064221659
O            -0.5404652714        3.0593052408        2.1684660475
H            -1.4397666835        2.7903956846        1.9128289099
H            -0.0987195316        2.2194965260        2.4236531025
O            -0.4250982346        3.3613051375       -2.0623796923
H            -0.3786511849        4.1655819352       -2.5796562019
H             0.1161765474        3.5104979672       -1.2534902655
O             0.9070082101        3.8826251103        0.2017551349
H             0.3314791185        3.5483405829        0.9605756632
H             1.1171281037        4.7910779225        0.4190216173
O            -3.2070049725       -0.4231928625        2.1661830516
H            -2.4644079378       -0.7386018655        2.7284128159
H            -3.2548765711       -1.0374461123        1.4158113741
O            -2.0238869299        1.3903658097       -1.0295555672
H            -1.5953537518        2.1504973854       -1.4490661632
H            -2.4204803057        1.7038329144       -0.1920588096
O            -1.0305986936       -1.2439731851        3.5137103456
H            -0.4518827520       -0.4844259652        3.3200728329
H            -0.5453307150       -2.0108880544        3.1771868891
O             0.6489698677       -3.1418923302        2.3020871558
H             1.4795101796       -2.6857424154        1.9996783458
H             0.9249924229       -3.9907256291        2.6466806912
O            -0.6569040353       -2.6460571022        0.0026577491
H            -1.6259963533       -2.6072345861        0.0947748405
H            -0.2819627975       -2.9147772716        0.8631869554
O             3.0021839180       -2.1533745588       -1.3930721323
H             2.1446585562       -2.5220590413       -1.7507854901
H             3.7031428245       -2.6778581648       -1.7789622957
O             2.1883775738        0.4243416469       -1.5299939711
H             2.6465216314       -0.4321408096       -1.5618370185
H             1.4012636149        0.2608514877       -0.9576308160
O            -0.7555972673       -1.1613770500       -3.6432220067
H            -0.8865918587       -1.3158123604       -4.5788643807
H            -0.3016513078       -0.2769497076       -3.5742595744
O            -3.3118866553       -2.1785704726        0.0034321879
H            -3.2638288365       -1.6607902751       -0.8503219381
H            -4.0652569676       -2.7627810313       -0.0782452165
O             3.2879579210        0.6126958560        2.1289309151
H             4.0058557291        0.8666452085        2.7076976713
H             3.2920927725        1.2624945403        1.3696510721
O            -2.9738172909        2.0334695097        1.3891159757
H            -3.8175490447        2.4320431579        1.6012873378
H            -3.0277667581        1.0877174663        1.7279081545
O             2.8531281796       -2.0378102965        1.3835912169
H             3.0199160517       -1.1167794535        1.6426575459
H             2.9003820547       -2.0633880223        0.4121890236
O             0.0242815800       -0.0666661961       -0.0709381046
H            -0.7426169075        0.4209409512       -0.4390307989
H            -0.2112505655       -1.0217827088       -0.0920690984
O             0.7192397001       -3.0552399351       -2.2917520306
H             0.2544660717       -2.4032598807       -2.8466658281
H             0.2022026473       -3.0775594942       -1.4667235181
O             3.1830649645        2.2861084063        0.1266812445
H             2.4094771702        2.8710037479        0.1966061446
H             2.9529732500        1.6563496784       -0.5869532985
O             0.5909720964        0.6624447684        2.4451609190
H             1.5606085519        0.6282881446        2.5018572199
H             0.3796056454        0.3819812562        1.5261038463
O            -3.0785146156       -0.8115410663       -2.2097674494
H            -2.8389961135        0.0598453666       -1.8483844966
H            -2.2944581431       -1.0818113333       -2.7215391897
    63
 Energy=    -106.840587661730
O             0.5209109228        1.1277150157       -3.5086051042
H             0.0828096477        1.8778863353       -3.0799658558
H             1.2580942480        0.8945898166       -2.9065526503
O            -0.5400553391        3.0593706240        2.1660252338
H            -1.4394446668        2.7903132863        1.9110519473
H            -0.0981285173        2.2197358173        2.4219385228
O            -0.4281717554        3.3624041719       -2.0622340769
H            -0.3833878250        4.1663477605       -2.5799151677
H             0.1155010831        3.5117471332       -1.2548265464
O             0.9070251207        3.8831639526        0.1996906924
H             0.3312587716        3.5489886768        0.9584155493
H             1.1172182197        4.7915088531        0.4177709560
O            -3.2074148837       -0.4238364816        2.1663756002
H            -2.4648252754       -0.7391975671        2.7284279395
H            -3.2555040275       -1.0381589905        1.4158221172
O            -2.0241501549        1.3897965633       -1.0293336079
H            -1.5962627082        2.1507430644       -1.4482489058
H            -2.4209126557        1.7030798048       -0.1917457972
O            -1.0306715561       -1.2437694402        3.5132807017
H            -0.4518867374       -0.4840344131        3.3197165053
H            -0.5450730790       -2.0107101536        3.1768854210
O             0.6489039754       -3.1420610960        2.3022420516
H             1.4795508093       -2.6858997071        2.0000790417
H             0.9247536512       -3.9912032984        2.6464160057
O            -0.6572893227       -2.6454748455        0.0030576839
H            -1.6266140201       -2.6067129684        0.0953289881
H            -0.2821911616       -2.9140566623        0.8630702080
O             3.0024066133       -2.1547462024       -1.3925502379
H             2.1447388720       -2.5231366828       -1.7504010828
H             3.7031567379       -2.6800491167       -1.7776529025
O             2.1895129507        0.4229257720       -1.5303159702
H             2.6469662732       -0.4338843000       -1.5616903336
H             1.4022046589        0.2599834162       -0.9580599773
O            -0.7543269932       -1.1602011168       -3.6419909766
H            -0.8857920935       -1.3140968439       -4.5776286259
H            -0.3011073664       -0.2752861773       -3.5730534831
O            -3.3118424043       -2.1783810545        0.0030904021
H            -3.2634904404       -1.6607599074       -0.8508328227
H            -4.0647900709       -2.7631186465       -0.0786373871
O             3.2883227598        0.6118249693        2.1287351532
H             4.0065948275        0.8655045653        2.7072326786
H             3.2921879910        1.2615541313        1.3694920529
O            -2.9747335354        2.0329489150        1.3893088527
H            -3.8184356411        2.4314850900        1.6014425399
H            -3.0285646676        1.0873894352        1.7283812141
O             2.8534862624       -2.0388549598        1.3835484184
H             3.0202727412       -1.1176467843        1.6427323823
H             2.9011020646       -2.0644563581        0.4121863360
O             0.0245282484       -0.0663013053       -0.0706854338
H            -0.7426434145        0.4206118478       -0.4388297099
H            -0.2107358887       -1.0208042995       -0.0918269553
O             0.7195999784       -3.0553486151       -2.2912361020
H             0.2547977133       -2.4029988997       -2.8456401358
H             0.2024490483       -3.0778716880       -1.4663683175
O             3.1834677801        2.2857124901        0.1267525519
H             2.4100140360        2.8707420327        0.1957208951
H             2.9531550059        1.6554073424       -0.5868463923
O             0.5912436069        0.6625583318        2.4453990460
H             1.5607315473        0.6281489105        2.5025386032
H             0.3798602723        0.3821984923        1.5268236661
O            -3.0784182462       -0.8114590506       -2.2099492413
H            -2.8393539220        0.0601447868       -1.8485955370
H            -2.2940969676       -1.0812561742       -2.7212511404
    63
 Energy=    -106.840605982430
O             0.5300155979        1.1372285257       -3.5122549897
H             0.0921893809        1.8864622465       -3.0812815217
H             1.2662083959        0.9027933518       -2.9094352771
O            -0.5384704096        3.0613975728        2.1567818342
H            -1.4398491445        2.7917306063        1.9079451331
H            -0.0978442444        2.2235875237        2.4181496305
O            -0.4321200390        3.3610510225       -2.0622584257
H            -0.4039651744        4.1662384969       -2.5790913686
H             0.1142569690        3.5174484547       -1.2577398159
O             0.9094454774        3.8878127328        0.1936269146
H             0.3321520805        3.5510472262        0.9498175543
H             1.1161469046        4.7962134870        0.4153059620
O            -3.2083078788       -0.4265243701        2.1664777493
H            -2.4657532976       -0.7425870366        2.7281684936
H            -3.2579885143       -1.0413315874        1.4165191802
O            -2.0290612612        1.3867713387       -1.0251931422
H            -1.5968707507        2.1467765263       -1.4419897932
H            -2.4255489194        1.6997956513       -0.1871170487
O            -1.0305402668       -1.2429376238        3.5096375553
H            -0.4526847561       -0.4825167688        3.3171806721
H            -0.5424612525       -2.0092978432        3.1747746469
O             0.6490437812       -3.1412560451        2.3034096265
H             1.4789471653       -2.6852388628        1.9992083876
H             0.9251538058       -3.9915506993        2.6450051653
O            -0.6587524099       -2.6452572330        0.0048522203
H            -1.6277534629       -2.6051312845        0.0990712446
H            -0.2841205924       -2.9138669547        0.8651943767
O             3.0014719325       -2.1574826508       -1.3896065728
H             2.1440369831       -2.5273395140       -1.7468001744
H             3.7019160262       -2.6872152997       -1.7685611846
O             2.1912636377        0.4204766040       -1.5313359900
H             2.6471376132       -0.4369644611       -1.5649788313
H             1.4028760993        0.2566254895       -0.9604491071
O            -0.7497925007       -1.1516564605       -3.6394347187
H            -0.8852339005       -1.3106636239       -4.5736479295
H            -0.2943830322       -0.2676911635       -3.5756399522
O            -3.3126387349       -2.1791658470        0.0027227142
H            -3.2646673406       -1.6636562190       -0.8523809087
H            -4.0635334351       -2.7664371744       -0.0777644155
O             3.2911431876        0.6043100396        2.1265550219
H             4.0100936952        0.8568730255        2.7047359674
H             3.2917446671        1.2577082502        1.3709325482
O            -2.9792882895        2.0311072399        1.3931985296
H            -3.8227438871        2.4295653960        1.6071256136
H            -3.0328704712        1.0856454711        1.7325713183
O             2.8533981278       -2.0408858713        1.3848389802
H             3.0202955394       -1.1185874726        1.6421939190
H             2.9011382924       -2.0675903240        0.4138042951
O             0.0253201862       -0.0655334630       -0.0693287140
H            -0.7424432589        0.4187152373       -0.4403929022
H            -0.2075753695       -1.0207626397       -0.0919817222
O             0.7210836903       -3.0524696192       -2.2893265008
H             0.2553730197       -2.3979082771       -2.8400890750
H             0.2036579763       -3.0795619790       -1.4645202821
O             3.1871778515        2.2830514743        0.1253468845
H             2.4158895272        2.8707936500        0.1927234446
H             2.9549806828        1.6523352123       -0.5870128221
O             0.5892331485        0.6645640296        2.4446103071
H             1.5581337307        0.6285282130        2.5042176199
H             0.3803469722        0.3829467845        1.5253756265
O            -3.0791413297       -0.8126557946       -2.2091752491
H            -2.8451859360        0.0610461271       -1.8494567020
H            -2.2931711818       -1.0781652397       -2.7203245232
    63
 Energy=    -106.840608574720
O             0.5326634431        1.1374810630       -3.5141760740
H             0.0933859357        1.8863926427       -3.0843337571
H             1.2670854933        0.9023015918       -2.9096334090
O            -0.5392516222        3.0620885151        2.1567626494
H            -1.4400101217        2.7922676191        1.9086259613
H            -0.0980474248        2.2240092363        2.4185950947
O            -0.4303839069        3.3597035409       -2.0624151786
H            -0.4050067826        4.1655952757       -2.5783949379
H             0.1144871471        3.5175773016       -1.2573376465
O             0.9101660718        3.8884973536        0.1939261925
H             0.3327399483        3.5508603963        0.9495048957
H             1.1158871613        4.7970242194        0.4155250298
O            -3.2084083514       -0.4267242685        2.1665437021
H            -2.4655496501       -0.7428295055        2.7280059159
H            -3.2580099110       -1.0413927638        1.4165892695
O            -2.0298345449        1.3866317462       -1.0243078704
H            -1.5962830028        2.1456046294       -1.4411502459
H            -2.4262973330        1.6995672600       -0.1863034395
O            -1.0304572169       -1.2433013730        3.5092948441
H            -0.4527998241       -0.4822560179        3.3167447209
H            -0.5421403827       -2.0090106080        3.1745577187
O             0.6489911302       -3.1410679720        2.3034466901
H             1.4789528091       -2.6849055250        1.9987681323
H             0.9255036608       -3.9911236223        2.6449036676
O            -0.6585427861       -2.6458278973        0.0052213506
H            -1.6275867125       -2.6050691490        0.0992629772
H            -0.2842862445       -2.9144134819        0.8657302417
O             3.0011721589       -2.1571229740       -1.3890593503
H             2.1438283272       -2.5271361066       -1.7462574847
H             3.7018168527       -2.6871843863       -1.7674629342
O             2.1905251811        0.4210533814       -1.5313130038
H             2.6468438614       -0.4361846660       -1.5661334182
H             1.4023846388        0.2566894408       -0.9607281302
O            -0.7497600318       -1.1505339757       -3.6397146502
H            -0.8856218944       -1.3110695042       -4.5736578601
H            -0.2930626534       -0.2671145090       -3.5774378378
O            -3.3128329864       -2.1797130914        0.0030526249
H            -3.2652421379       -1.6643133859       -0.8521877227
H            -4.0637832089       -2.7670480744       -0.0772508243
O             3.2910894099        0.6037029241        2.1264855814
H             4.0103949701        0.8555640513        2.7044608666
H             3.2917853358        1.2574885541        1.3711283922
O            -2.9796704721        2.0312499085        1.3943324320
H            -3.8230174489        2.4295722813        1.6084086438
H            -3.0331039294        1.0854593283        1.7330416777
O             2.8529826862       -2.0402876873        1.3854544625
H             3.0199719614       -1.1184019811        1.6419904840
H             2.9005559038       -2.0674993282        0.4139234092
O             0.0251773058       -0.0660844429       -0.0698800238
H            -0.7422686991        0.4185926901       -0.4407594049
H            -0.2073229967       -1.0214608614       -0.0921312747
O             0.7205386322       -3.0519054523       -2.2891378548
H             0.2553571778       -2.3965497454       -2.8397948044
H             0.2037038562       -3.0796841356       -1.4643925863
O             3.1875993123        2.2828225268        0.1252882967
H             2.4167766810        2.8711169272        0.1927775525
H             2.9553066057        1.6522988353       -0.5873433059
O             0.5886965163        0.6649126344        2.4438935735
H             1.5575689007        0.6286527927        2.5040445950
H             0.3801376677        0.3831584491        1.5246803554
O            -3.0793648287       -0.8129825545       -2.2093067798
H            -2.8463875407        0.0608610417       -1.8492625600
H            -2.2932309946       -1.0778415143       -2.7201981496
    63
 Energy=    -106.840624826330
O             0.5381448107        1.1430717507       -3.5163921210
H             0.1009678981        1.8937866262       -3.0873618024
H             1.2733926207        0.9082767237       -2.9127039843
O            -0.5402865954        3.0642357859        2.1514140611
H            -1.4417756549        2.7931956565        1.9060520965
H            -0.0988204775        2.2275221902        2.4156899054
O            -0.4339641682        3.3590956614       -2.0641296308
H            -0.4270078198        4.1669033875       -2.5774502655
H             0.1136903055        3.5232312014       -1.2620631248
O             0.9123464551        3.8907765478        0.1875245050
H             0.3350732925        3.5514622800        0.9420137911
H             1.1185356949        4.7986673754        0.4118779480
O            -3.2115982016       -0.4294314325        2.1685449854
H            -2.4660073517       -0.7435753772        2.7275024113
H            -3.2602957574       -1.0422570150        1.4169841532
O            -2.0314302551        1.3850620628       -1.0195851931
H            -1.5969666987        2.1437943791       -1.4363102975
H            -2.4287197260        1.6988769398       -0.1823713411
O            -1.0297917802       -1.2426104811        3.5071349830
H            -0.4537003949       -0.4806016255        3.3135096324
H            -0.5403056077       -2.0078544143        3.1730328504
O             0.6492794073       -3.1409287965        2.3029445341
H             1.4796032642       -2.6846302199        1.9987276287
H             0.9253092846       -3.9912693585        2.6441560987
O            -0.6586361102       -2.6471530318        0.0087889892
H            -1.6277700246       -2.6046765474        0.1009497025
H            -0.2857644465       -2.9168836676        0.8695470111
O             3.0017065992       -2.1630548166       -1.3833207207
H             2.1439104469       -2.5299334371       -1.7426211283
H             3.7019197583       -2.6939577979       -1.7614813687
O             2.1933069955        0.4197532485       -1.5327897550
H             2.6469463815       -0.4387226401       -1.5679857023
H             1.4040955546        0.2567487883       -0.9629348276
O            -0.7454125267       -1.1432512458       -3.6383322486
H            -0.8810942028       -1.3057312544       -4.5719598714
H            -0.2882743142       -0.2597605417       -3.5784640703
O            -3.3137555709       -2.1820876000        0.0028701513
H            -3.2666425181       -1.6673368026       -0.8524156961
H            -4.0633612288       -2.7713381570       -0.0765912436
O             3.2889213452        0.6020954053        2.1268528796
H             4.0136618399        0.8459277765        2.7014934498
H             3.2943302531        1.2534534758        1.3695206856
O            -2.9828880908        2.0298582550        1.4001231958
H            -3.8266887559        2.4269229610        1.6149994264
H            -3.0361122011        1.0830896709        1.7359861553
O             2.8520995264       -2.0419791542        1.3870496254
H             3.0198750431       -1.1196096548        1.6421882189
H             2.8997629287       -2.0716437347        0.4155338071
O             0.0265481199       -0.0673488553       -0.0732865661
H            -0.7417321911        0.4175959487       -0.4420973355
H            -0.2088897316       -1.0218508430       -0.0907875407
O             0.7191636226       -3.0500983617       -2.2888366415
H             0.2565891322       -2.3887557877       -2.8345806561
H             0.2031413154       -3.0805772836       -1.4635563599
O             3.1899902760        2.2813741692        0.1265100059
H             2.4206055029        2.8719979740        0.1900600647
H             2.9582397405        1.6506388447       -0.5860554284
O             0.5885413056        0.6666856540        2.4426909716
H             1.5573256901        0.6294551543        2.5030654283
H             0.3795671805        0.3846345534        1.5239009310
O            -3.0803196738       -0.8138256989       -2.2117358059
H            -2.8515878069        0.0597049513       -1.8483278464
H            -2.2904806063       -1.0744021648       -2.7192022276
    63
 Energy=    -106.840627569920
O             0.5398543566        1.1442033619       -3.5177048466
H             0.1025622224        1.8947619026       -3.0886797271
H             1.2746364573        0.9089799660       -2.9135938281
O            -0.5405175809        3.0648311295        2.1499894366
H            -1.4420927871        2.7936037030        1.9057912139
H            -0.0992047769        2.2283315680        2.4149430198
O            -0.4352916121        3.3589244412       -2.0644385005
H            -0.4320947201        4.1673164829       -2.5767995995
H             0.1139672779        3.5236082450       -1.2635427044
O             0.9128596354        3.8908578907        0.1864617296
H             0.3355610721        3.5519518343        0.9410882081
H             1.1194703805        4.7986106340        0.4110643027
O            -3.2123458924       -0.4300038335        2.1689205698
H            -2.4663377139       -0.7436959078        2.7274960945
H            -3.2608036212       -1.0424456288        1.4171241317
O            -2.0318384228        1.3849253965       -1.0186956383
H            -1.5968720396        2.1435789072       -1.4352850928
H            -2.4286437076        1.6991720982       -0.1812561612
O            -1.0296674806       -1.2423649627        3.5067378971
H            -0.4536994108       -0.4801828994        3.3127398344
H            -0.5400062431       -2.0076370921        3.1727134500
O             0.6493459269       -3.1410405772        2.3034003876
H             1.4794712909       -2.6846793032        1.9988966385
H             0.9254091005       -3.9915199438        2.6442483389
O            -0.6585851833       -2.6476511545        0.0091370452
H            -1.6276740256       -2.6052143399        0.1013491905
H            -0.2860190521       -2.9173088543        0.8700786319
O             3.0018771657       -2.1639064228       -1.3824207635
H             2.1440229368       -2.5304769022       -1.7418076046
H             3.7016872117       -2.6954667778       -1.7602250506
O             2.1941313942        0.4196983127       -1.5333053121
H             2.6470961046       -0.4392273554       -1.5677779134
H             1.4045727551        0.2569812689       -0.9636277271
O            -0.7444171349       -1.1415591998       -3.6380976012
H            -0.8796144318       -1.3043859934       -4.5717476250
H            -0.2874024275       -0.2580122196       -3.5784230395
O            -3.3140654119       -2.1825677263        0.0028032495
H            -3.2672245658       -1.6681387259       -0.8526167672
H            -4.0632609887       -2.7723163303       -0.0766368095
O             3.2884687804        0.6017013616        2.1268523072
H             4.0144294281        0.8437509770        2.7006373360
H             3.2947463055        1.2531278035        1.3696459631
O            -2.9836640836        2.0294317153        1.4009793473
H            -3.8273491069        2.4262131077        1.6170595916
H            -3.0366710282        1.0828232661        1.7371492453
O             2.8527076671       -2.0425420449        1.3876218125
H             3.0192006656       -1.1197914434        1.6423220746
H             2.8992666356       -2.0722787746        0.4160199759
O             0.0266749955       -0.0678510845       -0.0736914392
H            -0.7417116208        0.4171114816       -0.4422895147
H            -0.2093474524       -1.0222685680       -0.0907651707
O             0.7189462559       -3.0492531520       -2.2884685461
H             0.2566285251       -2.3869552693       -2.8333897086
H             0.2022452993       -3.0801760821       -1.4637607725
O             3.1905782247        2.2812383703        0.1264813075
H             2.4213696818        2.8719715908        0.1897698367
H             2.9588485842        1.6505067425       -0.5858718986
O             0.5883272020        0.6673513041        2.4420538558
H             1.5570303921        0.6296957251        2.5023207039
H             0.3796451544        0.3850937581        1.5233424963
O            -3.0802158511       -0.8143488313       -2.2118153206
H            -2.8525395905        0.0592278826       -1.8478442521
H            -2.2899500191       -1.0735572268       -2.7191508090
    63
 Energy=    -106.840637965960
O             0.5458335996        1.1459287690       -3.5229583712
H             0.1054228874        1.8952760626       -3.0951416518
H             1.2771998488        0.9077312080       -2.9161171622
O            -0.5424123407        3.0669064731        2.1488436968
H            -1.4444584627        2.7958769293        1.9060675957
H            -0.1004033227        2.2303543890        2.4134420063
O            -0.4383799635        3.3585234970       -2.0670127194
H            -0.4476427055        4.1707386626       -2.5736993124
H             0.1148166173        3.5226752654       -1.2691081033
O             0.9145919153        3.8889209665        0.1852058877
H             0.3364169945        3.5523810936        0.9400638145
H             1.1251916827        4.7959167126        0.4085080219
O            -3.2147977232       -0.4309974385        2.1703228803
H            -2.4676905064       -0.7438243228        2.7281555942
H            -3.2621720750       -1.0424245987        1.4177889203
O            -2.0317006895        1.3864343364       -1.0158286146
H            -1.5957539244        2.1437054146       -1.4338204297
H            -2.4262980345        1.7011352955       -0.1779931774
O            -1.0290528120       -1.2406250039        3.5054850931
H            -0.4531623768       -0.4793945420        3.3102122893
H            -0.5398248603       -2.0068578243        3.1725508306
O             0.6493753302       -3.1418887061        2.3053785933
H             1.4798000485       -2.6857287126        2.0006234950
H             0.9260708546       -3.9923335989        2.6456466663
O            -0.6589190859       -2.6505791133        0.0101982257
H            -1.6279212786       -2.6091697323        0.1015600481
H            -0.2854465504       -2.9193945417        0.8712955503
O             3.0023224047       -2.1655336433       -1.3805757969
H             2.1437001130       -2.5308687257       -1.7393928080
H             3.7012389551       -2.6987093979       -1.7580737512
O             2.1960906324        0.4194315018       -1.5339182900
H             2.6494154778       -0.4394692662       -1.5652485199
H             1.4056003022        0.2595483765       -0.9657626020
O            -0.7431090175       -1.1368668532       -3.6385865429
H            -0.8723880062       -1.3009366776       -4.5728773654
H            -0.2856186588       -0.2534853031       -3.5782100907
O            -3.3151579766       -2.1848121852        0.0027849542
H            -3.2690325356       -1.6708030982       -0.8529646683
H            -4.0633777703       -2.7758218293       -0.0768128322
O             3.2870166482        0.6016969226        2.1264335394
H             4.0165887028        0.8370079565        2.6984483629
H             3.2953100347        1.2546152451        1.3704668959
O            -2.9855173699        2.0286879251        1.4049902040
H            -3.8283383168        2.4249837670        1.6247171209
H            -3.0369669413        1.0816163526        1.7403618241
O             2.8540817993       -2.0440358000        1.3901348574
H             3.0157313780       -1.1199969271        1.6435641136
H             2.8973667480       -2.0735346213        0.4185827286
O             0.0262488806       -0.0706320085       -0.0760657337
H            -0.7420277769        0.4159451191       -0.4425957107
H            -0.2107798741       -1.0248155785       -0.0913601943
O             0.7164181564       -3.0446771050       -2.2872330355
H             0.2567784661       -2.3805523728       -2.8328551922
H             0.1981542472       -3.0779899869       -1.4639321928
O             3.1925975220        2.2818374888        0.1262275123
H             2.4224790046        2.8715442971        0.1901855756
H             2.9618160930        1.6507335267       -0.5863238462
O             0.5873086785        0.6694046376        2.4378766780
H             1.5563252460        0.6317151828        2.4987889157
H             0.3787047116        0.3867514655        1.5191733083
O            -3.0787624638       -0.8158547389       -2.2113104525
H            -2.8539668184        0.0572567984       -1.8447141019
H            -2.2884226401       -1.0719097819       -2.7200830504
    63
 Energy=    -106.840649323670
O             0.5546385006        1.1499199966       -3.5287519376
H             0.1135470831        1.8992002858       -3.1015579857
H             1.2857321974        0.9127884188       -2.9212018296
O            -0.5433643811        3.0711902559        2.1443030347
H            -1.4460427037        2.7997668655        1.9037002469
H            -0.1021767361        2.2336471250        2.4070286897
O            -0.4413599503        3.3552583337       -2.0713526040
H            -0.4758481684        4.1751508017       -2.5639985495
H             0.1137056649        3.5201964770       -1.2749169238
O             0.9155642953        3.8862228055        0.1788419895
H             0.3356598751        3.5543629185        0.9343921806
H             1.1347552390        4.7912273316        0.4025069848
O            -3.2177583932       -0.4342116112        2.1721470917
H            -2.4704956482       -0.7468839557        2.7297249110
H            -3.2651546999       -1.0454225019        1.4194159589
O            -2.0316473949        1.3862686808       -1.0108940967
H            -1.5959020475        2.1429141216       -1.4309132832
H            -2.4256233820        1.7017251806       -0.1732222704
O            -1.0282174037       -1.2375535035        3.5032286341
H            -0.4520751990       -0.4765806901        3.3050785113
H            -0.5396397425       -2.0051165391        3.1728880426
O             0.6501253537       -3.1444739015        2.3080718535
H             1.4813563376       -2.6885148208        2.0051421674
H             0.9256848865       -3.9949473128        2.6493274046
O            -0.6619363654       -2.6538828513        0.0118544956
H            -1.6309831661       -2.6149074381        0.1053935916
H            -0.2865446380       -2.9212921258        0.8722306885
O             3.0014968592       -2.1676534826       -1.3766661944
H             2.1417380803       -2.5290184358       -1.7368846090
H             3.6981374604       -2.7048824447       -1.7524850227
O             2.1980321018        0.4184881670       -1.5343475546
H             2.6523334575       -0.4398585808       -1.5624520282
H             1.4063194324        0.2568727207       -0.9683129197
O            -0.7408724756       -1.1271676201       -3.6381987945
H            -0.8616484937       -1.2951026518       -4.5728529813
H            -0.2803644385       -0.2452306079       -3.5781424045
O            -3.3163712086       -2.1889211944        0.0031098090
H            -3.2675801828       -1.6753923435       -0.8525990212
H            -4.0635194857       -2.7810363975       -0.0783595173
O             3.2868001067        0.5995966874        2.1244490456
H             4.0208920484        0.8273123967        2.6937753860
H             3.2954154226        1.2559697359        1.3714782449
O            -2.9874738812        2.0286619790        1.4123940414
H            -3.8297764779        2.4239858078        1.6361347890
H            -3.0394842487        1.0804601116        1.7437866966
O             2.8514122087       -2.0458387359        1.3933269107
H             3.0130812915       -1.1217750802        1.6466638311
H             2.8989475336       -2.0770383277        0.4218520611
O             0.0264021074       -0.0727139743       -0.0798654075
H            -0.7446834490        0.4126404197       -0.4426992892
H            -0.2096918032       -1.0269303519       -0.0937548025
O             0.7145568983       -3.0381993791       -2.2871778316
H             0.2560578169       -2.3719968255       -2.8309203185
H             0.1947975791       -3.0720716622       -1.4644233759
O             3.1952046720        2.2814651289        0.1262127776
H             2.4238809549        2.8697739092        0.1895449874
H             2.9658718592        1.6512294535       -0.5876009125
O             0.5845750235        0.6732273225        2.4317110856
H             1.5531999380        0.6358111599        2.4948040361
H             0.3780921071        0.3881787928        1.5129914451
O            -3.0766990128       -0.8157132883       -2.2090235078
H            -2.8517696545        0.0564549755       -1.8407323418
H            -2.2867984576       -1.0688821287       -2.7196938299
    63
 Energy=    -106.840656584170
O             0.5600474197        1.1521673181       -3.5292668717
H             0.1189694366        1.9023210958       -3.1037246370
H             1.2902671113        0.9156599714       -2.9204710223
O            -0.5435450409        3.0735159012        2.1415521980
H            -1.4471926452        2.8032236308        1.9033944150
H            -0.1019598809        2.2358505274        2.4034601790
O            -0.4440510175        3.3540741832       -2.0724986564
H            -0.4916860628        4.1791574972       -2.5550922353
H             0.1126168784        3.5172676738       -1.2767238447
O             0.9143419290        3.8829076449        0.1742015306
H             0.3336353009        3.5536053438        0.9304302063
H             1.1411722317        4.7858075098        0.3986112083
O            -3.2189199578       -0.4359185229        2.1720652792
H            -2.4713185788       -0.7475193987        2.7299285925
H            -3.2667429452       -1.0483371575        1.4205152301
O            -2.0323529644        1.3863567368       -1.0084861854
H            -1.5956238217        2.1420438865       -1.4296251114
H            -2.4264975153        1.7029810741       -0.1713242930
O            -1.0272016020       -1.2360893311        3.5030506187
H            -0.4528539619       -0.4750138661        3.3009201925
H            -0.5386893203       -2.0039937722        3.1735889659
O             0.6482842052       -3.1471904030        2.3103273673
H             1.4792483234       -2.6915285991        2.0069666556
H             0.9235778415       -3.9970252749        2.6534432378
O            -0.6621023399       -2.6550782772        0.0140738371
H            -1.6313385850       -2.6162063096        0.1074387814
H            -0.2865396010       -2.9232698530        0.8740171649
O             3.0006808257       -2.1674854579       -1.3747182095
H             2.1397453172       -2.5253040656       -1.7358521274
H             3.6956448274       -2.7067728922       -1.7507548027
O             2.1996538800        0.4185114093       -1.5329931144
H             2.6547000288       -0.4393735019       -1.5624469255
H             1.4066556865        0.2554093607       -0.9691327699
O            -0.7384964270       -1.1239089268       -3.6396184403
H            -0.8566008836       -1.2938747988       -4.5742794720
H            -0.2776496265       -0.2421492219       -3.5796778835
O            -3.3169034695       -2.1923137897        0.0038609933
H            -3.2657008672       -1.6759496389       -0.8499378344
H            -4.0647114605       -2.7831063049       -0.0812126403
O             3.2858857686        0.6000529898        2.1245136803
H             4.0230138846        0.8249694839        2.6910509336
H             3.2958492717        1.2540189310        1.3694985966
O            -2.9878543266        2.0280988643        1.4141975034
H            -3.8281279071        2.4256529159        1.6416154968
H            -3.0399557263        1.0798808684        1.7454039160
O             2.8525169645       -2.0467098681        1.3959213336
H             3.0122767090       -1.1218748685        1.6479381710
H             2.8991778240       -2.0779879527        0.4243999239
O             0.0262313957       -0.0756588512       -0.0821335064
H            -0.7444620335        0.4106897034       -0.4441142995
H            -0.2109117687       -1.0297388847       -0.0956593346
O             0.7134605667       -3.0328914352       -2.2879768993
H             0.2538367240       -2.3676400138       -2.8318941703
H             0.1947506520       -3.0685721459       -1.4647525563
O             3.1955063214        2.2818135263        0.1253785035
H             2.4222114834        2.8677048607        0.1876656240
H             2.9676604404        1.6500313216       -0.5875502695
O             0.5834026358        0.6749599347        2.4272539859
H             1.5517519963        0.6379061754        2.4920723899
H             0.3775718628        0.3885756054        1.5087757241
O            -3.0739180067       -0.8149169753       -2.2052253194
H            -2.8473229566        0.0571909918       -1.8372271885
H            -2.2866033426       -1.0682489787       -2.7196523349
    63
 Energy=    -106.840656944190
O             0.5616750554        1.1532287275       -3.5295558960
H             0.1205079313        1.9034590848       -3.1043223906
H             1.2912649013        0.9162250715       -2.9202225930
O            -0.5437787247        3.0743058832        2.1409989927
H            -1.4472586168        2.8035781008        1.9030651868
H            -0.1019905262        2.2365542523        2.4022711280
O            -0.4451188519        3.3534533199       -2.0722718556
H            -0.4961221136        4.1797310573       -2.5525332050
H             0.1126464043        3.5161415176       -1.2771703234
O             0.9147538858        3.8821555043        0.1730984939
H             0.3333404069        3.5534847283        0.9291058590
H             1.1423332306        4.7848554158        0.3974123539
O            -3.2190421600       -0.4362118285        2.1721073278
H            -2.4713512726       -0.7476415899        2.7298065935
H            -3.2671504463       -1.0489502052        1.4208186077
O            -2.0325426833        1.3864449846       -1.0079015208
H            -1.5952923677        2.1417324113       -1.4290880199
H            -2.4269724938        1.7030859708       -0.1710404099
O            -1.0271268877       -1.2356733155        3.5025741423
H            -0.4530681856       -0.4745535273        3.3001366810
H            -0.5382928559       -2.0037253564        3.1738632415
O             0.6479612852       -3.1477453682        2.3106841821
H             1.4789159697       -2.6922132325        2.0072885934
H             0.9229711168       -3.9973744429        2.6545330652
O            -0.6617646797       -2.6557236089        0.0145607696
H            -1.6309216232       -2.6161811305        0.1077653923
H            -0.2866403049       -2.9238483408        0.8747154305
O             3.0005802957       -2.1671607696       -1.3744730994
H             2.1394046366       -2.5246304817       -1.7354131884
H             3.6950556744       -2.7074050803       -1.7500750771
O             2.2002202671        0.4186092150       -1.5331480586
H             2.6551175410       -0.4393846407       -1.5626241802
H             1.4071266392        0.2553671036       -0.9694481854
O            -0.7380096156       -1.1226408669       -3.6400368617
H            -0.8556713322       -1.2932480841       -4.5745986220
H            -0.2765149995       -0.2413521023       -3.5803492048
O            -3.3171071565       -2.1931056663        0.0040974168
H            -3.2655749699       -1.6758140220       -0.8491439836
H            -4.0650673806       -2.7835252279       -0.0821328286
O             3.2859587333        0.5997774583        2.1241923905
H             4.0234300087        0.8246646240        2.6902403763
H             3.2957090622        1.2537848568        1.3692337780
O            -2.9877155808        2.0281793926        1.4152151066
H            -3.8278181729        2.4258305771        1.6428993586
H            -3.0403696467        1.0796621377        1.7454570723
O             2.8523502745       -2.0470128358        1.3966297842
H             3.0120837181       -1.1220530440        1.6484226552
H             2.8989091295       -2.0784506144        0.4251436829
O             0.0262005099       -0.0765632616       -0.0829612434
H            -0.7443181689        0.4102331195       -0.4445431812
H            -0.2115518206       -1.0304828213       -0.0957015540
O             0.7134151671       -3.0316973529       -2.2880052586
H             0.2533086310       -2.3662504149       -2.8317060869
H             0.1943684279       -3.0679710371       -1.4648102527
O             3.1952298134        2.2815328192        0.1252553968
H             2.4218918879        2.8672301080        0.1871405003
H             2.9678255557        1.6495003333       -0.5876051337
O             0.5830502640        0.6753762480        2.4262436702
H             1.5513636071        0.6382224584        2.4914887265
H             0.3775618873        0.3888036121        1.5079022388
O            -3.0733027195       -0.8150303480       -2.2044178941
H            -2.8465731321        0.0570602638       -1.8361907819
H            -2.2859913267       -1.0678921380       -2.7193678250
    63
 Energy=    -106.840657514900
O             0.5615448699        1.1531290416       -3.5289500319
H             0.1204381900        1.9035118467       -3.1038522525
H             1.2909699190        0.9156913428       -2.9195120413
O            -0.5437914313        3.0742878557        2.1412155295
H            -1.4471908927        2.8034604463        1.9033461619
H            -0.1019288117        2.2365031034        2.4024310492
O            -0.4456854809        3.3538228986       -2.0719810414
H            -0.4962154611        4.1803028283       -2.5520510300
H             0.1123740199        3.5159725685       -1.2769490361
O             0.9146399218        3.8815307742        0.1732228922
H             0.3331435521        3.5531060316        0.9292603301
H             1.1424621031        4.7841565663        0.3974076151
O            -3.2188949318       -0.4359192826        2.1720047139
H            -2.4711309683       -0.7473726394        2.7295610600
H            -3.2670163852       -1.0490539602        1.4208237847
O            -2.0322682441        1.3865224827       -1.0081424446
H            -1.5951568174        2.1419525156       -1.4294112190
H            -2.4269485193        1.7032456931       -0.1713173041
O            -1.0271651147       -1.2356225627        3.5025776825
H            -0.4531303076       -0.4745277196        3.3000437173
H            -0.5382079835       -2.0037126618        3.1741101324
O             0.6476758019       -3.1478612034        2.3107701187
H             1.4788723752       -2.6925602371        2.0073246454
H             0.9226024775       -3.9973267385        2.6550160612
O            -0.6614615104       -2.6558740592        0.0145012066
H            -1.6304946712       -2.6160007810        0.1076727975
H            -0.2866150599       -2.9240139558        0.8749237619
O             3.0006006141       -2.1666648106       -1.3746214323
H             2.1394931525       -2.5241405102       -1.7356036145
H             3.6948874348       -2.7068352117       -1.7506194050
O             2.2002921460        0.4186051007       -1.5329696804
H             2.6552784228       -0.4393732371       -1.5626218836
H             1.4073672461        0.2555539853       -0.9691471754
O            -0.7383051938       -1.1231771085       -3.6405452149
H            -0.8557668518       -1.2936037871       -4.5752138582
H            -0.2765279630       -0.2418617648       -3.5806900518
O            -3.3170640889       -2.1930829939        0.0043185256
H            -3.2655187813       -1.6754538542       -0.8486656973
H            -4.0651735104       -2.7832264901       -0.0825958148
O             3.2859940319        0.5998654517        2.1240807710
H             4.0230979374        0.8257122242        2.6902302295
H             3.2956319976        1.2538431741        1.3690095726
O            -2.9872993034        2.0282769069        1.4149430169
H            -3.8273040978        2.4261473639        1.6426471830
H            -3.0401881473        1.0797373337        1.7450851242
O             2.8521060221       -2.0469794892        1.3967953391
H             3.0121823537       -1.1221392843        1.6486781139
H             2.8986493331       -2.0782778890        0.4253451168
O             0.0261922668       -0.0767792893       -0.0832374176
H            -0.7440946872        0.4102827619       -0.4448340578
H            -0.2118997051       -1.0307379338       -0.0955469833
O             0.7131502072       -3.0315125857       -2.2881608015
H             0.2531634969       -2.3664061860       -2.8318690496
H             0.1945202686       -3.0678978986       -1.4649700851
O             3.1949912650        2.2812854410        0.1251763981
H             2.4214343639        2.8669515172        0.1868763574
H             2.9677381960        1.6491647251       -0.5876144234
O             0.5830418493        0.6753986594        2.4261065970
H             1.5513993477        0.6380884447        2.4911821062
H             0.3776152613        0.3886467616        1.5077023898
O            -3.0728292523       -0.8148769600       -2.2041317896
H            -2.8458768999        0.0569457236       -1.8358373461
H            -2.2858882727       -1.0680708858       -2.7192184346
    63
 Energy=    -106.840657800480
O             0.5612307272        1.1528424854       -3.5287408377
H             0.1201585876        1.9032830554       -3.1036986409
H             1.2906355035        0.9153727303       -2.9193158148
O            -0.5437154146        3.0740931026        2.1413437953
H            -1.4471581018        2.8033606302        1.9035282652
H            -0.1018639205        2.2363845186        2.4027897826
O            -0.4455788994        3.3539223644       -2.0718175115
H            -0.4953612853        4.1802960141       -2.5522948918
H             0.1123831683        3.5160110375       -1.2767070778
O             0.9145442564        3.8814698987        0.1735241531
H             0.3331511121        3.5529987237        0.9296693561
H             1.1422024930        4.7841453859        0.3976409465
O            -3.2187791563       -0.4357665758        2.1719324644
H            -2.4710359783       -0.7472175767        2.7294415750
H            -3.2668838487       -1.0489588234        1.4207742278
O            -2.0321633167        1.3865782000       -1.0083047132
H            -1.5951500932        2.1420035531       -1.4295679826
H            -2.4268222151        1.7032557918       -0.1715395609
O            -1.0271881377       -1.2356784570        3.5026727562
H            -0.4531153665       -0.4746107633        3.3001806432
H            -0.5382322737       -2.0037543172        3.1741264373
O             0.6476605919       -3.1477437363        2.3107475265
H             1.4789116172       -2.6925528268        2.0072865982
H             0.9226135146       -3.9972043736        2.6549937883
O            -0.6614337426       -2.6558390645        0.0144153671
H            -1.6304562530       -2.6159756800        0.1075773165
H            -0.2865956443       -2.9239848462        0.8748237685
O             3.0006127407       -2.1665119884       -1.3746853539
H             2.1395879837       -2.5240496980       -1.7357573156
H             3.6949621252       -2.7064516469       -1.7509319290
O             2.2001804381        0.4186223223       -1.5329476254
H             2.6552366660       -0.4393411411       -1.5626858270
H             1.4073123718        0.2556433228       -0.9689885893
O            -0.7384759535       -1.1235416644       -3.6407016445
H            -0.8560890293       -1.2938278322       -4.5753832798
H            -0.2767312323       -0.2422156223       -3.5808197359
O            -3.3170272596       -2.1928982126        0.0043994030
H            -3.2655113221       -1.6753576612       -0.8486689608
H            -4.0651383855       -2.7830266387       -0.0825554423
O             3.2860050020        0.5999469879        2.1240847420
H             4.0228720005        0.8262084706        2.6904021627
H             3.2955752629        1.2539228550        1.3689903361
O            -2.9872107974        2.0283150755        1.4146028361
H            -3.8271732864        2.4262423094        1.6423165216
H            -3.0399974097        1.0798181447        1.7449544796
O             2.8519533803       -2.0469221483        1.3967010343
H             3.0122475294       -1.1221383731        1.6486846356
H             2.8985581734       -2.0781020637        0.4252591090
O             0.0261707540       -0.0766849288       -0.0831840505
H            -0.7440706815        0.4103436803       -0.4448770285
H            -0.2118368863       -1.0306302274       -0.0954640141
O             0.7131746138       -3.0317885753       -2.2882621368
H             0.2531689522       -2.3665845035       -2.8320022650
H             0.1945959436       -3.0680465357       -1.4649048427
O             3.1948986628        2.2812612669        0.1251792876
H             2.4213766522        2.8669317387        0.1869092959
H             2.9676230286        1.6491684131       -0.5876138679
O             0.5831139384        0.6753312803        2.4261952482
H             1.5514759852        0.6379439316        2.4912023908
H             0.3776324328        0.3885410130        1.5078498253
O            -3.0728443233       -0.8148611640       -2.2041717921
H            -2.8458142365        0.0569807345       -1.8358833802
H            -2.2858606551       -1.0682137701       -2.7192144801
    63
 Energy=    -106.840658311560
O             0.5612950105        1.1527646081       -3.5286060031
H             0.1205784436        1.9033401093       -3.1034899442
H             1.2905510533        0.9149251199       -2.9191883227
O            -0.5435556548        3.0739294652        2.1411172419
H            -1.4471734310        2.8032221718        1.9037569599
H            -0.1015943197        2.2365445938        2.4032771595
O            -0.4459856134        3.3538201731       -2.0712121826
H            -0.4964955366        4.1804280794       -2.5513884597
H             0.1123584533        3.5156948793       -1.2762959186
O             0.9145162416        3.8809215142        0.1737874793
H             0.3332298278        3.5526267648        0.9302091912
H             1.1420821155        4.7836887340        0.3976034850
O            -3.2185739039       -0.4355036652        2.1716390124
H            -2.4707071452       -0.7467697380        2.7289980847
H            -3.2668712872       -1.0489823810        1.4207399181
O            -2.0318911095        1.3864966391       -1.0084359393
H            -1.5948972124        2.1419943650       -1.4296284315
H            -2.4265852223        1.7033371618       -0.1717665026
O            -1.0271163367       -1.2355138850        3.5025498470
H            -0.4530699323       -0.4744793853        3.3000729584
H            -0.5380682188       -2.0035963942        3.1742499114
O             0.6475561687       -3.1476002956        2.3111655055
H             1.4790084010       -2.6928870195        2.0075184020
H             0.9222719602       -3.9970149539        2.6557069991
O            -0.6614195778       -2.6562412828        0.0144690342
H            -1.6304783415       -2.6162691556        0.1075675559
H            -0.2865793000       -2.9243357346        0.8748789162
O             3.0005650963       -2.1661129141       -1.3745569110
H             2.1395719011       -2.5233391284       -1.7359661028
H             3.6950005728       -2.7055853930       -1.7513194455
O             2.2002476006        0.4185788356       -1.5331092679
H             2.6553457397       -0.4393916124       -1.5627491230
H             1.4075104910        0.2558576242       -0.9688662412
O            -0.7385470994       -1.1236013660       -3.6416172225
H            -0.8565671765       -1.2938444965       -4.5762655726
H            -0.2766238203       -0.2424213354       -3.5818195189
O            -3.3171449829       -2.1926068100        0.0047276685
H            -3.2652503082       -1.6751191502       -0.8483980976
H            -4.0650928365       -2.7828603772       -0.0827504332
O             3.2861862174        0.5999044033        2.1237593781
H             4.0223433790        0.8274873838        2.6904938868
H             3.2950846482        1.2540556778        1.3687414647
O            -2.9870320398        2.0284300428        1.4141007117
H            -3.8267407714        2.4265828248        1.6423741016
H            -3.0395903432        1.0799711583        1.7447050429
O             2.8510026169       -2.0470452537        1.3968238194
H             3.0122147742       -1.1225537878        1.6492576177
H             2.8978786254       -2.0778699097        0.4253855496
O             0.0261335872       -0.0767289933       -0.0833528945
H            -0.7441642261        0.4100469190       -0.4453091461
H            -0.2117307031       -1.0306205765       -0.0951456786
O             0.7130399762       -3.0317964090       -2.2884725651
H             0.2530741600       -2.3661361149       -2.8318894352
H             0.1946184984       -3.0682403245       -1.4648779079
O             3.1946927432        2.2808374806        0.1251001064
H             2.4212180784        2.8665649697        0.1867091466
H             2.9673924804        1.6487048703       -0.5877153232
O             0.5832128313        0.6754754993        2.4258452237
H             1.5515507306        0.6376275375        2.4908398980
H             0.3775587832        0.3883313833        1.5076170047
O            -3.0722527277       -0.8149597128       -2.2038534619
H            -2.8453537403        0.0568670717       -1.8354252459
H            -2.2852271889       -1.0682729064       -2.7188075022
    63
 Energy=    -106.840662035420
O             0.5635062504        1.1559313216       -3.5314317513
H             0.1222871510        1.9053517863       -3.1049347016
H             1.2921205438        0.9166836802       -2.9217563131
O            -0.5422614650        3.0732418250        2.1411013195
H            -1.4454400692        2.8022684595        1.9020761030
H            -0.1004088749        2.2357237759        2.4033216757
O            -0.4488163848        3.3518396018       -2.0687445953
H            -0.5170271454        4.1823182128       -2.5396442661
H             0.1112555117        3.5151080646       -1.2751637161
O             0.9149022364        3.8797560505        0.1731861968
H             0.3344717012        3.5516875317        0.9304731661
H             1.1417854613        4.7830524238        0.3956125053
O            -3.2174571556       -0.4335565559        2.1706050989
H            -2.4690640539       -0.7448443857        2.7273561334
H            -3.2666833968       -1.0469465050        1.4198035626
O            -2.0311987856        1.3843889521       -1.0075144401
H            -1.5926998287        2.1390147622       -1.4291951491
H            -2.4257971933        1.7024652690       -0.1713303479
O            -1.0263219696       -1.2321674782        3.5018204079
H            -0.4510803428       -0.4720756465        3.2986687807
H            -0.5385411758       -2.0012417550        3.1738059191
O             0.6445881183       -3.1491265449        2.3150959604
H             1.4757692838       -2.6944008869        2.0109949691
H             0.9197319867       -3.9966722509        2.6638758962
O            -0.6618766717       -2.6586243917        0.0159057466
H            -1.6309419920       -2.6184016294        0.1091584187
H            -0.2874543797       -2.9268366321        0.8763557733
O             2.9999424155       -2.1659721146       -1.3727502595
H             2.1395484493       -2.5236426951       -1.7350523587
H             3.6956320605       -2.7021584247       -1.7518026358
O             2.2000089354        0.4169657845       -1.5353481584
H             2.6559644055       -0.4406999408       -1.5630987060
H             1.4069449359        0.2542485148       -0.9716280910
O            -0.7363769825       -1.1197053341       -3.6458422789
H            -0.8588933737       -1.2886805333       -4.5801173020
H            -0.2744248634       -0.2384174932       -3.5869201188
O            -3.3166940636       -2.1929889153        0.0057559326
H            -3.2624219942       -1.6767654290       -0.8478995296
H            -4.0647819567       -2.7829661933       -0.0823673179
O             3.2861926745        0.5988408554        2.1232597464
H             4.0175328129        0.8333637181        2.6933846760
H             3.2945771239        1.2511169810        1.3665676702
O            -2.9861165070        2.0300254861        1.4136799556
H            -3.8251465461        2.4283362428        1.6442419038
H            -3.0385522856        1.0812749001        1.7438098196
O             2.8476112068       -2.0487325614        1.3986525494
H             3.0112524242       -1.1249377926        1.6516360526
H             2.8939123766       -2.0790919635        0.4272110988
O             0.0269381940       -0.0790937639       -0.0841515391
H            -0.7438307077        0.4076583235       -0.4453957806
H            -0.2109974836       -1.0330450164       -0.0952815897
O             0.7122007937       -3.0289549927       -2.2887278367
H             0.2534317180       -2.3624768555       -2.8318399250
H             0.1932027475       -3.0666884677       -1.4657417504
O             3.1947434788        2.2780743715        0.1232369433
H             2.4214742689        2.8640512308        0.1851471190
H             2.9674585690        1.6465713367       -0.5902148580
O             0.5848602995        0.6756350701        2.4240791264
H             1.5533141629        0.6367069336        2.4882894877
H             0.3782605014        0.3890270354        1.5059321751
O            -3.0665027232       -0.8173505820       -2.2033643078
H            -2.8425314068        0.0553025660       -1.8350046098
H            -2.2785699190       -1.0680097336       -2.7183281765
    63
 Energy=    -106.840662814540
O             0.5635112418        1.1568820867       -3.5325475695
H             0.1222099525        1.9063429438       -3.1062810280
H             1.2919331037        0.9174589684       -2.9226737089
O            -0.5418033762        3.0730643437        2.1421752823
H            -1.4448620792        2.8020920671        1.9028074805
H            -0.0997775257        2.2352543977        2.4031595218
O            -0.4496433722        3.3519346958       -2.0680869412
H            -0.5227475005        4.1837145319       -2.5359703629
H             0.1107723627        3.5149288203       -1.2747304779
O             0.9149616408        3.8798202074        0.1735157680
H             0.3348436133        3.5513913474        0.9308533399
H             1.1415066032        4.7831815758        0.3960401857
O            -3.2169274787       -0.4326073249        2.1700915672
H            -2.4685995838       -0.7434882215        2.7274217481
H            -3.2655963158       -1.0463073597        1.4194030965
O            -2.0307513278        1.3835858856       -1.0075231664
H            -1.5915723485        2.1380396222       -1.4289855473
H            -2.4256369175        1.7019969331       -0.1715474422
O            -1.0263941962       -1.2312175799        3.5022709078
H            -0.4507975119       -0.4715955290        3.2984457176
H            -0.5394125348       -2.0007013806        3.1739348010
O             0.6434284416       -3.1493293596        2.3166338682
H             1.4745340468       -2.6949186505        2.0117551128
H             0.9188696813       -3.9961935366        2.6668264982
O            -0.6617021854       -2.6592641205        0.0161710497
H            -1.6307915817       -2.6185934380        0.1092534292
H            -0.2874577726       -2.9279036931        0.8765734233
O             3.0000042750       -2.1666325914       -1.3720935544
H             2.1395394161       -2.5237533035       -1.7349086238
H             3.6959859463       -2.7013520660       -1.7527424719
O             2.1992251880        0.4169002528       -1.5364333466
H             2.6550931510       -0.4407929021       -1.5640031914
H             1.4064772567        0.2537376155       -0.9723995505
O            -0.7353877549       -1.1193664021       -3.6469540006
H            -0.8597167298       -1.2873036200       -4.5811809328
H            -0.2737927067       -0.2379286300       -3.5877702815
O            -3.3161834477       -2.1929787137        0.0056809960
H            -3.2615959680       -1.6774521761       -0.8484463886
H            -4.0646930871       -2.7825135378       -0.0817990017
O             3.2866200705        0.5988667896        2.1230803763
H             4.0153032129        0.8354469844        2.6956931011
H             3.2956598124        1.2507631368        1.3660935857
O            -2.9855305793        2.0309347159        1.4134383361
H            -3.8244127085        2.4295368260        1.6438815262
H            -3.0380668402        1.0823577322        1.7439062725
O             2.8462807705       -2.0491721693        1.3995585470
H             3.0108347321       -1.1254129635        1.6518850829
H             2.8935229063       -2.0801583414        0.4282055161
O             0.0270215889       -0.0798721979       -0.0840435953
H            -0.7439682961        0.4066662035       -0.4450650535
H            -0.2107644000       -1.0338268080       -0.0949698908
O             0.7122693114       -3.0282649690       -2.2890136741
H             0.2536689831       -2.3624347090       -2.8330055016
H             0.1927235234       -3.0655907129       -1.4663845462
O             3.1948473007        2.2774141608        0.1222439343
H             2.4217089080        2.8634431941        0.1846935922
H             2.9669817681        1.6459189531       -0.5910136540
O             0.5856168959        0.6753814828        2.4235009421
H             1.5541556499        0.6367374086        2.4878071849
H             0.3791481882        0.3877849626        1.5055662299
O            -3.0653849437       -0.8186993402       -2.2039865180
H            -2.8413169962        0.0537584047       -1.8353173969
H            -2.2774603733       -1.0689533050       -2.7191811225
    63
 Energy=    -106.840662876370
O             0.5631897854        1.1567640777       -3.5328446014
H             0.1219984922        1.9063553752       -3.1066990015
H             1.2915779081        0.9174114664       -2.9228870832
O            -0.5416555771        3.0729601255        2.1425862321
H            -1.4447843961        2.8020840390        1.9033656496
H            -0.0996074324        2.2351250150        2.4033781357
O            -0.4493971435        3.3519822794       -2.0679432523
H            -0.5226842381        4.1839192386       -2.5355824154
H             0.1107744237        3.5148780751       -1.2743649990
O             0.9148828677        3.8798884953        0.1739507388
H             0.3349300541        3.5513112062        0.9313631857
H             1.1412567829        4.7832947337        0.3965477110
O            -3.2166183473       -0.4322106925        2.1699093300
H            -2.4685014609       -0.7431440726        2.7275399579
H            -3.2652056988       -1.0461007662        1.4193504476
O            -2.0307152832        1.3834235971       -1.0077785022
H            -1.5912638829        2.1378502704       -1.4290264921
H            -2.4255104792        1.7018179827       -0.1717489586
O            -1.0265339764       -1.2311441919        3.5024402423
H            -0.4508124625       -0.4715983142        3.2986248145
H            -0.5396726402       -2.0007229480        3.1741223239
O             0.6431272560       -3.1493202336        2.3166456783
H             1.4742875861       -2.6948118175        2.0119290698
H             0.9187531541       -3.9959418729        2.6673330469
O            -0.6616167360       -2.6593612824        0.0160735677
H            -1.6307163368       -2.6186632201        0.1092071762
H            -0.2874498881       -2.9280911257        0.8764953731
O             3.0000402573       -2.1664738195       -1.3722437199
H             2.1395690855       -2.5237517196       -1.7349377518
H             3.6960003755       -2.7010349815       -1.7531766861
O             2.1988849441        0.4169758051       -1.5365764416
H             2.6547044730       -0.4407468518       -1.5642766140
H             1.4062044974        0.2537858937       -0.9724315530
O            -0.7354176061       -1.1196990366       -3.6472417974
H            -0.8600614434       -1.2873800786       -4.5814452502
H            -0.2738440223       -0.2382626794       -3.5879572506
O            -3.3159039475       -2.1929201146        0.0055948608
H            -3.2615755953       -1.6774699281       -0.8486166724
H            -4.0646580689       -2.7822091881       -0.0815249057
O             3.2866666938        0.5991369026        2.1231450544
H             4.0147757988        0.8361298924        2.6963397724
H             3.2960783841        1.2509004900        1.3660323949
O            -2.9852587632        2.0312530294        1.4133516868
H            -3.8242160265        2.4298969326        1.6434578754
H            -3.0379291495        1.0826735956        1.7437465855
O             2.8462411363       -2.0492268286        1.3996160974
H             3.0106374995       -1.1254371117        1.6518556863
H             2.8934434385       -2.0802330198        0.4282746111
O             0.0269955878       -0.0798903379       -0.0839307673
H            -0.7440927872        0.4064966171       -0.4449479267
H            -0.2105782104       -1.0338874008       -0.0947516378
O             0.7124569286       -3.0282901970       -2.2891378869
H             0.2537382759       -2.3627935523       -2.8334814183
H             0.1927934550       -3.0655375829       -1.4665435639
O             3.1948014514        2.2773577661        0.1221060935
H             2.4217420622        2.8634769003        0.1846842540
H             2.9666831762        1.6458652653       -0.5910885415
O             0.5858252460        0.6751779319        2.4235043665
H             1.5543882009        0.6366281465        2.4877249389
H             0.3793656203        0.3873131523        1.5056484095
O            -3.0654520243       -0.8189533545       -2.2043454171
H            -2.8410684160        0.0533485826       -1.8354574573
H            -2.2775017580       -1.0694169618       -2.7194473207
    63
 Energy=    -106.840663088090
O             0.5630476709        1.1572210692       -3.5333534685
H             0.1221209803        1.9069885533       -3.1072328224
H             1.2914563386        0.9178028619       -2.9234946500
O            -0.5413745885        3.0729639529        2.1426450343
H            -1.4446927960        2.8021875937        1.9039167244
H            -0.0992134237        2.2351480871        2.4032536995
O            -0.4495800980        3.3519237369       -2.0676389129
H            -0.5244486931        4.1843348198       -2.5342045199
H             0.1107304234        3.5148616399       -1.2741850485
O             0.9149242271        3.8799814272        0.1741123266
H             0.3350817346        3.5512996033        0.9315561496
H             1.1411977522        4.7833494024        0.3968057494
O            -3.2163250585       -0.4318476638        2.1696970161
H            -2.4684757030       -0.7426772777        2.7276311781
H            -3.2647628969       -1.0459339085        1.4193514036
O            -2.0307873402        1.3830446597       -1.0078840138
H            -1.5908825181        2.1373911578       -1.4288605627
H            -2.4254282722        1.7014796710       -0.1718477854
O            -1.0267272020       -1.2309027939        3.5025981280
H            -0.4508734839       -0.4714677370        3.2987343296
H            -0.5399856422       -2.0006199288        3.1744561082
O             0.6427616425       -3.1493671036        2.3168451304
H             1.4739351535       -2.6947774897        2.0123495792
H             0.9183570813       -3.9956554872        2.6683386780
O            -0.6615305328       -2.6595955466        0.0160896331
H            -1.6306179584       -2.6189461775        0.1092054252
H            -0.2874985697       -2.9285285004        0.8764597977
O             3.0001374432       -2.1664270100       -1.3722803040
H             2.1396458311       -2.5237300825       -1.7347843898
H             3.6958731435       -2.7011038624       -1.7534490717
O             2.1985281915        0.4168321030       -1.5369141089
H             2.6543801139       -0.4408913009       -1.5647361959
H             1.4058889678        0.2538563523       -0.9726522705
O            -0.7351376858       -1.1195808367       -3.6475598395
H            -0.8601392120       -1.2869425317       -4.5818117880
H            -0.2736388500       -0.2381714818       -3.5882754739
O            -3.3156298040       -2.1928249951        0.0054571209
H            -3.2614800482       -1.6775661690       -0.8488804969
H            -4.0645606920       -2.7819388515       -0.0812789176
O             3.2868687388        0.5993537337        2.1231416253
H             4.0142089348        0.8369087528        2.6970736312
H             3.2965872795        1.2510372204        1.3659716261
O            -2.9850132181        2.0317112532        1.4133612185
H            -3.8240328000        2.4304033807        1.6431971431
H            -3.0378587515        1.0830889967        1.7436323463
O             2.8460657107       -2.0495673402        1.3998593634
H             3.0103010354       -1.1256922891        1.6520610776
H             2.8933060294       -2.0807165736        0.4284555508
O             0.0269985927       -0.0799912859       -0.0838470193
H            -0.7443431158        0.4060938217       -0.4448200238
H            -0.2102255749       -1.0340888388       -0.0943584716
O             0.7125998856       -3.0282537402       -2.2893182905
H             0.2539568824       -2.3629102481       -2.8338482940
H             0.1928767377       -3.0654053661       -1.4667916266
O             3.1947115631        2.2771478999        0.1218355258
H             2.4218036234        2.8634539144        0.1844951065
H             2.9663075433        1.6455511649       -0.5911753071
O             0.5861532024        0.6748469957        2.4233893909
H             1.5547247607        0.6365217269        2.4874659805
H             0.3796981959        0.3867813888        1.5056165486
O            -3.0653118519       -0.8193807754       -2.2047681581
H            -2.8407538940        0.0527310055       -1.8355456475
H            -2.2773940319       -1.0700371467       -2.7197523897
    63
 Energy=    -106.840663216640
O             0.5634401527        1.1578786672       -3.5336211784
H             0.1225482681        1.9076357866       -3.1074817374
H             1.2917676289        0.9183126591       -2.9237463766
O            -0.5412610272        3.0730926524        2.1421656319
H            -1.4446906932        2.8023581084        1.9037768049
H            -0.0990430600        2.2352972209        2.4028555384
O            -0.4500503090        3.3518420258       -2.0675728630
H            -0.5266193206        4.1845567789       -2.5331678998
H             0.1106292159        3.5149641035       -1.2744321887
O             0.9150803594        3.8799871485        0.1736810180
H             0.3351685961        3.5513809689        0.9311077559
H             1.1415203358        4.7833275619        0.3963963370
O            -3.2164822584       -0.4319492054        2.1697420945
H            -2.4685491871       -0.7426617166        2.7275985003
H            -3.2648007369       -1.0459976298        1.4193722567
O            -2.0309388549        1.3828227253       -1.0076229658
H            -1.5908916247        2.1370645138       -1.4286316580
H            -2.4255164893        1.7013314769       -0.1715786799
O            -1.0267438433       -1.2307189168        3.5025694856
H            -0.4509075797       -0.4713126405        3.2985915039
H            -0.5399852200       -2.0004739112        3.1745622232
O             0.6427335096       -3.1494178757        2.3170498670
H             1.4738283311       -2.6949094884        2.0126122920
H             0.9181065844       -3.9956531640        2.6687769594
O            -0.6615304362       -2.6597623162        0.0162287015
H            -1.6306109036       -2.6191549164        0.1092494885
H            -0.2875453861       -2.9287549395        0.8765656763
O             3.0001997333       -2.1666187088       -1.3720965649
H             2.1396490297       -2.5237140012       -1.7345412842
H             3.6957513171       -2.7016272327       -1.7531009640
O             2.1985977212        0.4165979558       -1.5371083420
H             2.6544816227       -0.4410904323       -1.5648737909
H             1.4059083934        0.2537954788       -0.9729105081
O            -0.7348184478       -1.1189871587       -3.6475976169
H            -0.8597111066       -1.2863723674       -4.5818221233
H            -0.2732701449       -0.2375093867       -3.5883583640
O            -3.3157037709       -2.1928412955        0.0054278456
H            -3.2614223379       -1.6777237726       -0.8489259452
H            -4.0645131587       -2.7820860703       -0.0813320493
O             3.2869755094        0.5992236382        2.1230998504
H             4.0143361564        0.8367747834        2.6970083341
H             3.2966084558        1.2509663892        1.3659727232
O            -2.9851442785        2.0317837243        1.4135285781
H            -3.8241242699        2.4304741224        1.6435501946
H            -3.0379662267        1.0831231198        1.7437386327
O             2.8459909232       -2.0498321595        1.4000249475
H             3.0101745476       -1.1259962524        1.6522585751
H             2.8932418708       -2.0810867020        0.4286626503
O             0.0270428373       -0.0801530848       -0.0839482250
H            -0.7443783414        0.4058736785       -0.4448304213
H            -0.2101028023       -1.0342636243       -0.0942739494
O             0.7124866344       -3.0281894916       -2.2893593287
H             0.2541212809       -2.3624444902       -2.8336269085
H             0.1928415806       -3.0653244001       -1.4668096767
O             3.1947214550        2.2769787904        0.1217289798
H             2.4218796758        2.8633831285        0.1842908543
H             2.9663334443        1.6452878221       -0.5912076646
O             0.5862131765        0.6748135555        2.4232454361
H             1.5548063301        0.6365445233        2.4872580582
H             0.3797275994        0.3868930159        1.5054216332
O            -3.0651303018       -0.8195301714       -2.2047701791
H            -2.8407774842        0.0526066480       -1.8354994981
H            -2.2771715715       -1.0700576511       -2.7197609969
    63
 Energy=    -106.840663575320
O             0.5628717324        1.1582362959       -3.5342050131
H             0.1223297617        1.9084312150       -3.1085240637
H             1.2910843720        0.9186888998       -2.9241598555
O            -0.5403923820        3.0726810801        2.1432338593
H            -1.4439871211        2.8027187549        1.9047740886
H            -0.0986314414        2.2344145311        2.4032013766
O            -0.4500603294        3.3522830773       -2.0668997554
H            -0.5280877100        4.1854699767       -2.5315736516
H             0.1106082489        3.5153750631       -1.2737118147
O             0.9151251454        3.8800643428        0.1741190892
H             0.3352800351        3.5514002058        0.9315363778
H             1.1420651421        4.7832527059        0.3970844226
O            -3.2162217450       -0.4312527891        2.1695054028
H            -2.4686121015       -0.7421327764        2.7277643377
H            -3.2641606131       -1.0452726963        1.4190509340
O            -2.0309167957        1.3819833688       -1.0076695059
H            -1.5908033586        2.1360061905       -1.4290804709
H            -2.4252801738        1.7009435001       -0.1716857330
O            -1.0271138180       -1.2304764062        3.5035019274
H            -0.4509950186       -0.4713667086        3.2992277181
H            -0.5406432354       -2.0004223077        3.1754871067
O             0.6421388694       -3.1490416457        2.3175356592
H             1.4735365601       -2.6949336817        2.0131059315
H             0.9174234421       -3.9949962463        2.6700566595
O            -0.6610315829       -2.6603687456        0.0157372406
H            -1.6301495756       -2.6196288666        0.1084455771
H            -0.2873506241       -2.9292598316        0.8762722476
O             3.0002070380       -2.1664151701       -1.3724133883
H             2.1395597771       -2.5234732799       -1.7347470691
H             3.6956086975       -2.7017053910       -1.7533486521
O             2.1979119984        0.4166663259       -1.5376147193
H             2.6537506544       -0.4410682250       -1.5651515186
H             1.4053516025        0.2537218635       -0.9732810790
O            -0.7348427624       -1.1193034356       -3.6483050477
H            -0.8589551895       -1.2866555841       -4.5826801243
H            -0.2738613859       -0.2376880131       -3.5887587075
O            -3.3153672397       -2.1925313097        0.0054983419
H            -3.2613999780       -1.6777996928       -0.8491346673
H            -4.0644432939       -2.7815396675       -0.0806709008
O             3.2874932202        0.5996516339        2.1233716260
H             4.0141154774        0.8383444756        2.6977649542
H             3.2967906566        1.2513525425        1.3662340421
O            -2.9847589658        2.0325541353        1.4131178604
H            -3.8238145542        2.4313174808        1.6426919065
H            -3.0377616547        1.0839369661        1.7433096844
O             2.8458721559       -2.0501245311        1.4001290824
H             3.0102666798       -1.1263739497        1.6523955820
H             2.8933720364       -2.0811040231        0.4287710640
O             0.0269955999       -0.0806311653       -0.0836035144
H            -0.7444186086        0.4051849371       -0.4447202930
H            -0.2100459077       -1.0347497460       -0.0941323116
O             0.7128990279       -3.0287540311       -2.2897912225
H             0.2546825609       -2.3628574924       -2.8339788432
H             0.1932929558       -3.0659987216       -1.4671770643
O             3.1944762551        2.2768780894        0.1214777664
H             2.4217781114        2.8634708647        0.1839218275
H             2.9657542686        1.6450252304       -0.5911998180
O             0.5867034836        0.6743313872        2.4235373195
H             1.5553831294        0.6361195152        2.4867169712
H             0.3794979710        0.3870607240        1.5056883076
O            -3.0653294997       -0.8201183226       -2.2053298414
H            -2.8406346831        0.0522198629       -1.8366837322
H            -2.2776442131       -1.0709831911       -2.7205244349
    63
 Energy=    -106.840663900880
O             0.5631714021        1.1598365655       -3.5349794733
H             0.1229485446        1.9102367054       -3.1095355446
H             1.2911881820        0.9199025951       -2.9248640016
O            -0.5394652362        3.0726990566        2.1429301701
H            -1.4431928742        2.8030225410        1.9047322332
H            -0.0978830484        2.2342936243        2.4030016735
O            -0.4515607330        3.3523176685       -2.0663636020
H            -0.5337189706        4.1865236666       -2.5282934879
H             0.1100244112        3.5154036422       -1.2738049979
O             0.9155193562        3.8803008376        0.1736315031
H             0.3361252895        3.5516525837        0.9314492323
H             1.1435594116        4.7831091971        0.3968281344
O            -3.2162824959       -0.4307479621        2.1692573158
H            -2.4689589597       -0.7417257684        2.7278332511
H            -3.2641196275       -1.0447227632        1.4187877498
O            -2.0311206911        1.3810743481       -1.0074696461
H            -1.5906140299        2.1349514787       -1.4289858548
H            -2.4252496476        1.7003258712       -0.1716184458
O            -1.0274360025       -1.2298625774        3.5041630058
H            -0.4510560575       -0.4709597566        3.2998807143
H            -0.5411948049       -2.0000442875        3.1764104200
O             0.6417051083       -3.1487608902        2.3184179276
H             1.4730585695       -2.6950825541        2.0136333673
H             0.9164256952       -3.9945274644        2.6717391322
O            -0.6607158489       -2.6616898307        0.0153744267
H            -1.6298322095       -2.6203183439        0.1079552966
H            -0.2872755802       -2.9297554212        0.8762920462
O             3.0001192621       -2.1668811141       -1.3718742528
H             2.1395638510       -2.5236559496       -1.7347647528
H             3.6954418738       -2.7026816873       -1.7521100695
O             2.1974296214        0.4164518198       -1.5381060735
H             2.6537756377       -0.4409837961       -1.5657873768
H             1.4048458220        0.2532508014       -0.9738592283
O            -0.7339606855       -1.1182783259       -3.6487233327
H            -0.8567656073       -1.2863112840       -4.5830644619
H            -0.2736235859       -0.2362711898       -3.5892523231
O            -3.3148742490       -2.1927114655        0.0054728041
H            -3.2611763459       -1.6779303063       -0.8490851154
H            -4.0643095163       -2.7813414696       -0.0801337263
O             3.2879899241        0.5995360529        2.1235355172
H             4.0146037605        0.8388856003        2.6975763797
H             3.2966178336        1.2510420986        1.3662093648
O            -2.9846561387        2.0331465120        1.4133419894
H            -3.8237840252        2.4318952272        1.6426617129
H            -3.0377793315        1.0845791121        1.7436274425
O             2.8457008705       -2.0504720053        1.4004268710
H             3.0109092173       -1.1269096790        1.6529423594
H             2.8933380480       -2.0814924367        0.4290327815
O             0.0268866528       -0.0814330321       -0.0836524646
H            -0.7446306061        0.4043476479       -0.4447000001
H            -0.2097343357       -1.0356479595       -0.0942478959
O             0.7131126688       -3.0285838502       -2.2902554419
H             0.2548766661       -2.3621468564       -2.8336924806
H             0.1934411670       -3.0669134458       -1.4677523096
O             3.1941086531        2.2763395889        0.1212467710
H             2.4216073523        2.8632418627        0.1833502276
H             2.9655718366        1.6445092482       -0.5915371525
O             0.5868527772        0.6743971705        2.4231831693
H             1.5555098575        0.6357559029        2.4864247748
H             0.3794897133        0.3868070385        1.5054976840
O            -3.0653811000       -0.8206791508       -2.2062201624
H            -2.8411099293        0.0516698035       -1.8373539546
H            -2.2775456637       -1.0712256455       -2.7212503397
    63
 Energy=    -106.840664106740
O             0.5622138194        1.1597361709       -3.5352730702
H             0.1221113377        1.9103741787       -3.1097529717
H             1.2900825640        0.9199081276       -2.9250824118
O            -0.5388483873        3.0725483068        2.1442376019
H            -1.4423347871        2.8028492878        1.9051656582
H            -0.0972891824        2.2341214138        2.4039405513
O            -0.4514851231        3.3523550413       -2.0658351093
H            -0.5335726883        4.1868675363       -2.5274935801
H             0.1096659757        3.5149843754       -1.2730675800
O             0.9156694257        3.8805082223        0.1746558384
H             0.3367735200        3.5518022814        0.9327860414
H             1.1441481765        4.7831467420        0.3980703129
O            -3.2160810553       -0.4300905081        2.1690739598
H            -2.4689425655       -0.7410571497        2.7278268163
H            -3.2634960870       -1.0439929847        1.4185153453
O            -2.0310394971        1.3807627143       -1.0083193460
H            -1.5902127271        2.1345650150       -1.4294715666
H            -2.4250108232        1.7000329939       -0.1722817640
O            -1.0279469248       -1.2296464474        3.5050850827
H            -0.4512230248       -0.4709393408        3.3011149084
H            -0.5418117915       -1.9998161904        3.1771246402
O             0.6412719452       -3.1480963016        2.3183596559
H             1.4728693068       -2.6945771126        2.0136033023
H             0.9161545761       -3.9935820925        2.6722676028
O            -0.6603506940       -2.6624384574        0.0148455693
H            -1.6294131238       -2.6208971910        0.1073426072
H            -0.2871271473       -2.9299568525        0.8759471161
O             3.0000032105       -2.1664284463       -1.3721420302
H             2.1398061889       -2.5237227564       -1.7351339173
H             3.6957683239       -2.7021635393       -1.7515735324
O             2.1966269789        0.4168031833       -1.5382843174
H             2.6533500559       -0.4403485258       -1.5658507470
H             1.4042631968        0.2531380747       -0.9738550469
O            -0.7341396781       -1.1189408722       -3.6490440896
H            -0.8555227298       -1.2879686405       -4.5834471633
H            -0.2742032797       -0.2368125906       -3.5896534740
O            -3.3143101173       -2.1920954656        0.0054749441
H            -3.2609990593       -1.6778976097       -0.8494206233
H            -4.0640256427       -2.7804377790       -0.0793084632
O             3.2881666043        0.5997731029        2.1237908362
H             4.0146822434        0.8399728970        2.6975692682
H             3.2964077592        1.2508204176        1.3660582270
O            -2.9839199587        2.0338329409        1.4127971198
H            -3.8232972235        2.4325522462        1.6413257157
H            -3.0371336839        1.0854330435        1.7434729043
O             2.8458146927       -2.0500140250        1.4002460817
H             3.0118090208       -1.1266623824        1.6528673438
H             2.8931181512       -2.0806397083        0.4288600456
O             0.0266103074       -0.0819396636       -0.0834683060
H            -0.7450165134        0.4036607668       -0.4445109249
H            -0.2097321961       -1.0361954152       -0.0946671116
O             0.7132978556       -3.0292432378       -2.2912641608
H             0.2545442112       -2.3626076244       -2.8341516766
H             0.1940529634       -3.0681075980       -1.4685621641
O             3.1937037030        2.2763077844        0.1211389394
H             2.4210975960        2.8630819498        0.1834658560
H             2.9649337899        1.6446426593       -0.5916575003
O             0.5868567778        0.6734564123        2.4236363585
H             1.5555136753        0.6353991013        2.4868242798
H             0.3795745818        0.3858347427        1.5059316774
O            -3.0660044180       -0.8210448676       -2.2068564590
H            -2.8416512379        0.0513689525       -1.8382883814
H            -2.2783100641       -1.0715217031       -2.7221952351
    63
 Energy=    -106.840664167750
O             0.5621617583        1.1598124258       -3.5352188905
H             0.1220858750        1.9103524833       -3.1097613207
H             1.2901125516        0.9198737662       -2.9250540710
O            -0.5388060955        3.0725519623        2.1442395186
H            -1.4423146613        2.8028593424        1.9051448181
H            -0.0972532238        2.2340605406        2.4039456092
O            -0.4515814158        3.3524445758       -2.0658139519
H            -0.5337071577        4.1869091369       -2.5274187109
H             0.1095856235        3.5150960100       -1.2729504577
O             0.9157198859        3.8805097340        0.1746701295
H             0.3367735630        3.5518045705        0.9327846902
H             1.1441874049        4.7831641292        0.3980562123
O            -3.2160688539       -0.4300597968        2.1690677868
H            -2.4689325526       -0.7410185484        2.7278495878
H            -3.2634702577       -1.0439795064        1.4184956441
O            -2.0310386088        1.3806943686       -1.0083082464
H            -1.5902745083        2.1345079638       -1.4294768196
H            -2.4250057923        1.7000144429       -0.1722948054
O            -1.0279543382       -1.2296459660        3.5051523241
H            -0.4512926155       -0.4709089444        3.3011318016
H            -0.5418452807       -1.9998181109        3.1771322779
O             0.6413533668       -3.1480200081        2.3183777864
H             1.4728372606       -2.6945105921        2.0136117442
H             0.9161164406       -3.9935568190        2.6722960573
O            -0.6603107403       -2.6624242625        0.0148063086
H            -1.6294006512       -2.6208951181        0.1072951461
H            -0.2870851729       -2.9299741995        0.8759360891
O             2.9999878776       -2.1663335805       -1.3721408955
H             2.1398118825       -2.5236951254       -1.7351708925
H             3.6958013053       -2.7022081349       -1.7515063704
O             2.1965966573        0.4167705604       -1.5382870160
H             2.6533086968       -0.4404428366       -1.5659279752
H             1.4042568206        0.2531330974       -0.9738185565
O            -0.7341487622       -1.1189456167       -3.6490116899
H            -0.8554266339       -1.2880137879       -4.5834497334
H            -0.2741723079       -0.2368049929       -3.5896366740
O            -3.3143099946       -2.1920004388        0.0054728374
H            -3.2609604601       -1.6778774753       -0.8495041927
H            -4.0640192943       -2.7804175732       -0.0792858033
O             3.2881607651        0.5997745163        2.1237270313
H             4.0147293952        0.8400021665        2.6975586310
H             3.2963939974        1.2508377135        1.3660395153
O            -2.9838877504        2.0338373773        1.4127359067
H            -3.8232525999        2.4325869742        1.6412650536
H            -3.0371092835        1.0854453026        1.7434442789
O             2.8458477443       -2.0500170982        1.4002345611
H             3.0117911820       -1.1266713466        1.6529575112
H             2.8930708545       -2.0806577933        0.4288321751
O             0.0265924736       -0.0819771283       -0.0834632227
H            -0.7449874442        0.4036200658       -0.4445596496
H            -0.2097537486       -1.0362537827       -0.0946856488
O             0.7133152007       -3.0292703350       -2.2912897152
H             0.2545766116       -2.3626029545       -2.8341433058
H             0.1940483400       -3.0681677574       -1.4685953787
O             3.1936546039        2.2762254068        0.1211486463
H             2.4211163558        2.8630825001        0.1834882572
H             2.9648985685        1.6445780023       -0.5916965692
O             0.5868822174        0.6734805697        2.4236461462
H             1.5555485144        0.6353206095        2.4868495419
H             0.3795731035        0.3857745426        1.5059753673
O            -3.0659875662       -0.8210485803       -2.2068592182
H            -2.8416987061        0.0513987117       -1.8382912682
H            -2.2783293180       -1.0715477572       -2.7222384650
    63
 Energy=    -106.840664348200
O             0.5621652706        1.1604837763       -3.5355228931
H             0.1218563082        1.9108869225       -3.1101342465
H             1.2900369955        0.9206216372       -2.9251951501
O            -0.5381858892        3.0726452201        2.1443383513
H            -1.4416936479        2.8031176237        1.9050228019
H            -0.0968305580        2.2340120864        2.4039311200
O            -0.4524111960        3.3525466583       -2.0651681733
H            -0.5377010333        4.1875982140       -2.5251066443
H             0.1091034419        3.5154826640       -1.2726442869
O             0.9160213110        3.8805134955        0.1746030151
H             0.3369872990        3.5520741066        0.9327834547
H             1.1453699819        4.7829339982        0.3980670719
O            -3.2158736865       -0.4295509046        2.1689914975
H            -2.4690087702       -0.7405198668        2.7281379134
H            -3.2631110774       -1.0435284482        1.4184692030
O            -2.0312486911        1.3801224119       -1.0082586441
H            -1.5902033215        2.1337166868       -1.4295477738
H            -2.4251235659        1.6996883308       -0.1722552439
O            -1.0282883843       -1.2291841857        3.5058527555
H            -0.4518745326       -0.4703605786        3.3014561340
H            -0.5423681823       -1.9992691193        3.1773276430
O             0.6411483793       -3.1473596640        2.3187233034
H             1.4726956181       -2.6938209228        2.0140138630
H             0.9159517005       -3.9927008121        2.6730612962
O            -0.6601692582       -2.6633920852        0.0146202551
H            -1.6292391714       -2.6214404667        0.1071865995
H            -0.2869017543       -2.9305358505        0.8758500396
O             2.9998422355       -2.1662192163       -1.3718533838
H             2.1399019303       -2.5236663378       -1.7353515584
H             3.6959350653       -2.7025345663       -1.7500243065
O             2.1962386090        0.4165507800       -1.5386888752
H             2.6529899343       -0.4406475336       -1.5663801706
H             1.4039561695        0.2528683202       -0.9741399717
O            -0.7337216991       -1.1182847161       -3.6490042575
H            -0.8533526421       -1.2885052038       -4.5834424666
H            -0.2737825913       -0.2360849124       -3.5899199338
O            -3.3138576382       -2.1916330463        0.0053317686
H            -3.2604839592       -1.6781490852       -0.8500488465
H            -4.0636866230       -2.7799441823       -0.0788457681
O             3.2882247351        0.5995930568        2.1235140765
H             4.0150257726        0.8398052059        2.6970280341
H             3.2963069023        1.2505514517        1.3656753645
O            -2.9832367317        2.0341339813        1.4126025070
H            -3.8225400745        2.4331348961        1.6409448712
H            -3.0367611803        1.0857533501        1.7433338600
O             2.8458246408       -2.0500614464        1.4006081928
H             3.0117455722       -1.1267087816        1.6533420444
H             2.8925366712       -2.0805073169        0.4291638235
O             0.0264169837       -0.0829347793       -0.0837949371
H            -0.7452327558        0.4026262267       -0.4447833645
H            -0.2098386950       -1.0372417082       -0.0951556277
O             0.7134827564       -3.0290226224       -2.2918899607
H             0.2546210171       -2.3620483799       -2.8342874157
H             0.1940566862       -3.0687551426       -1.4693649269
O             3.1934402353        2.2756545981        0.1209332923
H             2.4210229378        2.8626445541        0.1836033278
H             2.9644826152        1.6442336833       -0.5920707636
O             0.5869836536        0.6732857076        2.4235435127
H             1.5556307732        0.6348259397        2.4870128037
H             0.3797463870        0.3848157258        1.5061253915
O            -3.0660883142       -0.8213111611       -2.2073633770
H            -2.8420178935        0.0511051039       -1.8385566378
H            -2.2784039686       -1.0713457669       -2.7228901003
    63
 Energy=    -106.840664386280
O             0.5619949195        1.1605100549       -3.5354670578
H             0.1215734685        1.9107942641       -3.1098689660
H             1.2898970051        0.9206669951       -2.9252365985
O            -0.5380987138        3.0725877813        2.1444492134
H            -1.4415991855        2.8031168204        1.9050755890
H            -0.0967860467        2.2339477018        2.4039616354
O            -0.4524350653        3.3525326262       -2.0649413306
H            -0.5377477146        4.1875431183       -2.5249426793
H             0.1092807391        3.5155922896       -1.2725779321
O             0.9159506821        3.8805628112        0.1746307304
H             0.3369269615        3.5521184577        0.9328281143
H             1.1454453225        4.7829054691        0.3981966860
O            -3.2157784391       -0.4294110926        2.1689921746
H            -2.4689963010       -0.7404531359        2.7282454133
H            -3.2629614336       -1.0433996946        1.4184779843
O            -2.0313472602        1.3800526733       -1.0083790653
H            -1.5901848731        2.1336392950       -1.4296131683
H            -2.4251298142        1.6996588763       -0.1723369838
O            -1.0284263254       -1.2291585059        3.5059440730
H            -0.4520078806       -0.4703226623        3.3016058498
H            -0.5424503897       -1.9991606985        3.1772894552
O             0.6411522773       -3.1470809255        2.3187066449
H             1.4727501785       -2.6936047517        2.0140018594
H             0.9160946189       -3.9924174234        2.6729484266
O            -0.6601695793       -2.6636803642        0.0144761713
H            -1.6292193255       -2.6214478644        0.1071998012
H            -0.2868642787       -2.9305985738        0.8757590165
O             2.9997889559       -2.1662386549       -1.3717853729
H             2.1399311756       -2.5236372436       -1.7355101244
H             3.6959910740       -2.7025076525       -1.7498443732
O             2.1961675733        0.4165822085       -1.5387061477
H             2.6528978393       -0.4406264683       -1.5663777135
H             1.4038504360        0.2529004434       -0.9742216562
O            -0.7336693998       -1.1184307752       -3.6489428826
H            -0.8531091525       -1.2887116849       -4.5833863224
H            -0.2739476086       -0.2361409072       -3.5898461677
O            -3.3136680604       -2.1915760627        0.0052693124
H            -3.2604502829       -1.6780537419       -0.8500781562
H            -4.0636229265       -2.7797359392       -0.0788027062
O             3.2881976651        0.5995567073        2.1234564416
H             4.0150601396        0.8397170920        2.6969167083
H             3.2962634622        1.2505324786        1.3656421990
O            -2.9830122067        2.0341538224        1.4124796206
H            -3.8223034726        2.4332248433        1.6407079839
H            -3.0366273100        1.0857534705        1.7431800456
O             2.8457785129       -2.0499854398        1.4006245154
H             3.0116604749       -1.1266210356        1.6533052733
H             2.8924543808       -2.0803787104        0.4291910448
O             0.0263365076       -0.0830399357       -0.0836956734
H            -0.7452885244        0.4025055688       -0.4448008313
H            -0.2098276011       -1.0373526094       -0.0952044852
O             0.7135626395       -3.0290924739       -2.2919693376
H             0.2547067044       -2.3621209980       -2.8343715574
H             0.1941118160       -3.0688638611       -1.4694523313
O             3.1934069720        2.2756417752        0.1208952079
H             2.4209597803        2.8625723740        0.1836796724
H             2.9643165682        1.6442184972       -0.5920591452
O             0.5870120031        0.6730696500        2.4236581192
H             1.5556519928        0.6347149131        2.4870856792
H             0.3797664283        0.3846913976        1.5062142776
O            -3.0662114847       -0.8212451616       -2.2075712020
H            -2.8420198921        0.0510901290       -1.8386247678
H            -2.2784676232       -1.0713019553       -2.7229707229
    63
 Energy=    -106.840664424440
O             0.5617405196        1.1605069600       -3.5353913703
H             0.1212673433        1.9106294815       -3.1096581101
H             1.2897324455        0.9205803047       -2.9252613568
O            -0.5379995674        3.0724832739        2.1446024976
H            -1.4415348410        2.8031041986        1.9052405386
H            -0.0966942806        2.2337923789        2.4040366715
O            -0.4524000039        3.3525838445       -2.0647048647
H            -0.5377982138        4.1875452000       -2.5247888206
H             0.1093564492        3.5157075362       -1.2723556429
O             0.9159520459        3.8806147470        0.1747908488
H             0.3369545822        3.5520908311        0.9329793606
H             1.1454777832        4.7829509433        0.3984121820
O            -3.2157077485       -0.4292898061        2.1690058970
H            -2.4689685327       -0.7403302560        2.7283381125
H            -3.2626986936       -1.0432190366        1.4184121005
O            -2.0313767567        1.3798932833       -1.0085438198
H            -1.5901917545        2.1335058697       -1.4296474159
H            -2.4250401688        1.6995586102       -0.1724952303
O            -1.0285939587       -1.2291232149        3.5059956173
H            -0.4521348712       -0.4702726280        3.3018616308
H            -0.5425734890       -1.9990886088        3.1773000377
O             0.6412281577       -3.1467290901        2.3187244361
H             1.4727299276       -2.6932043761        2.0138972550
H             0.9161454460       -3.9921136178        2.6729012691
O            -0.6600892903       -2.6639697655        0.0143054793
H            -1.6291141840       -2.6215096895        0.1071073241
H            -0.2867784247       -2.9307197197        0.8756580146
O             2.9997462476       -2.1661561226       -1.3717301218
H             2.1399592520       -2.5236070927       -1.7356221918
H             3.6960010289       -2.7024269165       -1.7496667845
O             2.1959293347        0.4166373183       -1.5387141116
H             2.6527553552       -0.4405290864       -1.5664050536
H             1.4036340556        0.2528659913       -0.9742300320
O            -0.7335871316       -1.1186692622       -3.6489357387
H            -0.8529213222       -1.2889942744       -4.5834053331
H            -0.2741246668       -0.2362200693       -3.5897627771
O            -3.3135103600       -2.1914015553        0.0052163367
H            -3.2604079346       -1.6778351273       -0.8501063937
H            -4.0635899052       -2.7795199759       -0.0787226244
O             3.2881606705        0.5995580037        2.1234331943
H             4.0150957199        0.8396120306        2.6968381575
H             3.2962119617        1.2504980870        1.3655899340
O            -2.9827387220        2.0342336487        1.4122810525
H            -3.8219998811        2.4333588052        1.6404386341
H            -3.0363924218        1.0858329346        1.7430333901
O             2.8457387848       -2.0497959302        1.4005816574
H             3.0115510805       -1.1264318106        1.6533782999
H             2.8923186494       -2.0803207531        0.4291381204
O             0.0262635791       -0.0831771923       -0.0835993021
H            -0.7453109651        0.4023560902       -0.4447658648
H            -0.2098020818       -1.0375239286       -0.0952545296
O             0.7136609769       -3.0292496995       -2.2920871734
H             0.2548556134       -2.3621969961       -2.8344527418
H             0.1942200020       -3.0689569155       -1.4695502235
O             3.1933291601        2.2756104984        0.1208322935
H             2.4208819225        2.8625355336        0.1837089861
H             2.9641765321        1.6441303390       -0.5920774197
O             0.5870141630        0.6728021938        2.4237252434
H             1.5556723150        0.6345630445        2.4870772266
H             0.3797397253        0.3846364398        1.5062275039
O            -3.0662815095       -0.8211765385       -2.2077519276
H            -2.8420735659        0.0511224075       -1.8387307144
H            -2.2785544811       -1.0713841710       -2.7231421323
    63
 Energy=    -106.840664498830
O             0.5614300303        1.1606039602       -3.5352142979
H             0.1211481541        1.9108290487       -3.1094533354
H             1.2895493599        0.9207130423       -2.9252173905
O            -0.5377753585        3.0723427495        2.1446143953
H            -1.4413700706        2.8030753250        1.9053265859
H            -0.0965441055        2.2335050220        2.4037632251
O            -0.4526561249        3.3524424346       -2.0644074580
H            -0.5390316643        4.1875757285       -2.5239871782
H             0.1092415418        3.5156246781       -1.2721779877
O             0.9161413701        3.8806603822        0.1748974005
H             0.3371967983        3.5520692990        0.9331157949
H             1.1455444364        4.7830104155        0.3985494202
O            -3.2156561718       -0.4291234965        2.1688978810
H            -2.4690722806       -0.7401719283        2.7284198185
H            -3.2623601774       -1.0430300627        1.4182682276
O            -2.0311132838        1.3796072437       -1.0086501446
H            -1.5899546438        2.1333353831       -1.4296288212
H            -2.4248351359        1.6990418091       -0.1725362222
O            -1.0287866558       -1.2289619498        3.5060432332
H            -0.4522477329       -0.4701397984        3.3020536068
H            -0.5427659871       -1.9989003928        3.1772730617
O             0.6410716371       -3.1461618973        2.3187762547
H             1.4725262506       -2.6925378869        2.0138977416
H             0.9162737542       -3.9914503854        2.6729189117
O            -0.6599348732       -2.6643534306        0.0141802961
H            -1.6289604142       -2.6218616970        0.1069461418
H            -0.2866249221       -2.9309932911        0.8755723423
O             2.9996162085       -2.1660325190       -1.3714788336
H             2.1398343180       -2.5235575316       -1.7353682560
H             3.6958737572       -2.7025570097       -1.7490729004
O             2.1955815498        0.4165619698       -1.5387660901
H             2.6525027109       -0.4405351325       -1.5665604473
H             1.4032587230        0.2526026062       -0.9743391786
O            -0.7333812973       -1.1187911589       -3.6488816213
H            -0.8525553572       -1.2889875781       -4.5833818788
H            -0.2740502390       -0.2362896725       -3.5895343456
O            -3.3133560492       -2.1910544605        0.0052163010
H            -3.2602638025       -1.6774989387       -0.8501178150
H            -4.0634169004       -2.7791246184       -0.0787854988
O             3.2879824711        0.5994499349        2.1233643504
H             4.0153935073        0.8388647645        2.6964326070
H             3.2961807414        1.2504241208        1.3655395698
O            -2.9823792696        2.0342653918        1.4121850135
H            -3.8215520676        2.4335041971        1.6404916377
H            -3.0360325949        1.0859093265        1.7431019109
O             2.8455422323       -2.0495495632        1.4006230956
H             3.0112293158       -1.1260944658        1.6532024014
H             2.8922353249       -2.0801381470        0.4291786443
O             0.0261690414       -0.0835811421       -0.0836382993
H            -0.7454639307        0.4019250279       -0.4447632967
H            -0.2098078779       -1.0379505441       -0.0952741778
O             0.7139753623       -3.0291494152       -2.2921618061
H             0.2552677425       -2.3619702666       -2.8344683522
H             0.1944502482       -3.0690196830       -1.4696930556
O             3.1932358503        2.2754105268        0.1207668938
H             2.4208836633        2.8624908339        0.1835006052
H             2.9639968235        1.6439473607       -0.5921185518
O             0.5868565811        0.6728229179        2.4234745937
H             1.5554935528        0.6344240509        2.4868319614
H             0.3794945225        0.3845999187        1.5060044775
O            -3.0662239728       -0.8211590390       -2.2079196172
H            -2.8420085368        0.0512069635       -1.8390495597
H            -2.2784849784       -1.0713617312       -2.7232725040
    63
 Energy=    -106.840664535730
O             0.5612057581        1.1605964051       -3.5350768797
H             0.1209559666        1.9109395522       -3.1095049105
H             1.2892091952        0.9206910258       -2.9249480620
O            -0.5375873419        3.0723750235        2.1447151188
H            -1.4411525034        2.8031267021        1.9052573967
H            -0.0964124556        2.2334852218        2.4038197436
O            -0.4528194071        3.3525436045       -2.0641824428
H            -0.5397305550        4.1878071595       -2.5234239400
H             0.1091574222        3.5156684918       -1.2719804160
O             0.9161547086        3.8806593707        0.1749887775
H             0.3373073484        3.5519774806        0.9332582813
H             1.1454944787        4.7830132496        0.3987040109
O            -3.2156298876       -0.4290525922        2.1688804572
H            -2.4690161925       -0.7401131750        2.7283753303
H            -3.2623327121       -1.0428491654        1.4181629467
O            -2.0309678602        1.3794290128       -1.0085720116
H            -1.5896078462        2.1330688073       -1.4295383203
H            -2.4246201381        1.6989251973       -0.1724402106
O            -1.0288169477       -1.2288158063        3.5063339240
H            -0.4523429758       -0.4700286931        3.3019787368
H            -0.5429869957       -1.9987794853        3.1773569271
O             0.6409385536       -3.1458790075        2.3186704419
H             1.4723385127       -2.6920894005        2.0138128935
H             0.9162457910       -3.9910152841        2.6730992315
O            -0.6599204140       -2.6647156291        0.0140227000
H            -1.6289500482       -2.6221369485        0.1067552006
H            -0.2866219233       -2.9310713535        0.8755169806
O             2.9997563140       -2.1659600270       -1.3712637415
H             2.1399350723       -2.5234460782       -1.7351029804
H             3.6959388808       -2.7026337756       -1.7487844181
O             2.1954025615        0.4164762046       -1.5387617226
H             2.6524788569       -0.4405511017       -1.5664423416
H             1.4031444668        0.2524867646       -0.9742501405
O            -0.7333083581       -1.1189120811       -3.6488929546
H            -0.8525708847       -1.2889820685       -4.5834037108
H            -0.2741243473       -0.2363407072       -3.5895087415
O            -3.3130832911       -2.1908515783        0.0051017197
H            -3.2600096484       -1.6772643701       -0.8502331032
H            -4.0633058912       -2.7787311102       -0.0787646182
O             3.2878534194        0.5994841457        2.1233129847
H             4.0157384619        0.8382505329        2.6960512508
H             3.2960917067        1.2505357696        1.3655552704
O            -2.9821451509        2.0342809621        1.4122190445
H            -3.8212490737        2.4336062522        1.6406379857
H            -3.0359459906        1.0859028645        1.7430624655
O             2.8453245497       -2.0492311012        1.4005576210
H             3.0110750132       -1.1257624499        1.6530855571
H             2.8921435197       -2.0799374444        0.4291193951
O             0.0260802244       -0.0839410847       -0.0837065391
H            -0.7455398966        0.4015513261       -0.4449070087
H            -0.2098989179       -1.0383112243       -0.0952602802
O             0.7142171344       -3.0291491724       -2.2921531241
H             0.2554196111       -2.3620825824       -2.8345134668
H             0.1945813751       -3.0691481529       -1.4697707896
O             3.1932771025        2.2753065861        0.1205946424
H             2.4210360820        2.8625119102        0.1833614166
H             2.9638605983        1.6437444567       -0.5921533818
O             0.5866379987        0.6726664311        2.4232242926
H             1.5552770051        0.6345647729        2.4865383750
H             0.3793106140        0.3843091997        1.5057772714
O            -3.0661534951       -0.8211174840       -2.2081024189
H            -2.8418023969        0.0512797263       -1.8394101843
H            -2.2784236522       -1.0716064754       -2.7233460496
    63
 Energy=    -106.840664539640
O             0.5611534874        1.1606304469       -3.5350394022
H             0.1209153485        1.9109708961       -3.1094385437
H             1.2891821465        0.9207038190       -2.9249473333
O            -0.5375724025        3.0723774387        2.1447037414
H            -1.4411275181        2.8031224757        1.9052316449
H            -0.0963945901        2.2334896264        2.4038262305
O            -0.4528485827        3.3525636788       -2.0641658224
H            -0.5398044166        4.1878343474       -2.5233814174
H             0.1091434320        3.5157082590       -1.2719807988
O             0.9161660202        3.8806617888        0.1749763233
H             0.3373065628        3.5519757241        0.9332374468
H             1.1454880621        4.7830180431        0.3986986346
O            -3.2156327101       -0.4290581583        2.1688885128
H            -2.4690101152       -0.7401149952        2.7283727019
H            -3.2623331399       -1.0428440241        1.4181605591
O            -2.0309668847        1.3794154172       -1.0085669749
H            -1.5895898926        2.1330557269       -1.4295169512
H            -2.4246050839        1.6989314070       -0.1724425468
O            -1.0288357655       -1.2288020373        3.5063393512
H            -0.4523559119       -0.4700187262        3.3019890015
H            -0.5430057794       -1.9987718179        3.1773747279
O             0.6409250809       -3.1458446507        2.3186713036
H             1.4723215695       -2.6920741949        2.0137953870
H             0.9162422939       -3.9909766034        2.6731035323
O            -0.6599214456       -2.6647372141        0.0140045860
H            -1.6289518667       -2.6221501976        0.1067356603
H            -0.2866312896       -2.9310801641        0.8755046774
O             2.9997898170       -2.1659784582       -1.3712533304
H             2.1399640793       -2.5234592093       -1.7350891819
H             3.6959649377       -2.7026615892       -1.7487596687
O             2.1954133407        0.4164556648       -1.5387406420
H             2.6524842757       -0.4405617611       -1.5664221548
H             1.4031542862        0.2524665611       -0.9742354256
O            -0.7332972125       -1.1189167289       -3.6488868809
H            -0.8525806125       -1.2889737212       -4.5833990306
H            -0.2741488106       -0.2363296192       -3.5894722306
O            -3.3130634192       -2.1908137549        0.0050862940
H            -3.2599832256       -1.6772444846       -0.8502588184
H            -4.0632931855       -2.7786891579       -0.0787731115
O             3.2878369594        0.5994964916        2.1233054978
H             4.0157806482        0.8382015414        2.6960042589
H             3.2960949013        1.2505522523        1.3655503284
O            -2.9821317447        2.0342741302        1.4122125827
H            -3.8212333574        2.4336169437        1.6406348773
H            -3.0359387263        1.0858954812        1.7430573213
O             2.8453144844       -2.0492098058        1.4005518125
H             3.0110672584       -1.1257402459        1.6530766734
H             2.8921385834       -2.0799368026        0.4291137646
O             0.0260684794       -0.0839712963       -0.0837083565
H            -0.7455394826        0.4015265965       -0.4449140253
H            -0.2099068920       -1.0383418450       -0.0952621854
O             0.7142417335       -3.0291730448       -2.2921445866
H             0.2554374728       -2.3621141416       -2.8345079105
H             0.1945912492       -3.0691821153       -1.4697681436
O             3.1932735087        2.2752924899        0.1205893796
H             2.4210445487        2.8625187275        0.1833455756
H             2.9638502702        1.6437322122       -0.5921549363
O             0.5866309380        0.6726619226        2.4232130181
H             1.5552696177        0.6345638848        2.4865385624
H             0.3793036796        0.3842684728        1.5057760354
O            -3.0661436748       -0.8211156909       -2.2081307532
H            -2.8417895228        0.0512903834       -1.8394424173
H            -2.2784107103       -1.0716289963       -2.7233569430
    63
 Energy=    -106.840664572240
O             0.5608658682        1.1605928199       -3.5348105625
H             0.1207224040        1.9110411868       -3.1093043412
H             1.2889325135        0.9207585934       -2.9247513179
O            -0.5375341064        3.0724775784        2.1446750968
H            -1.4410990694        2.8032406230        1.9052424399
H            -0.0963798222        2.2335758848        2.4037746359
O            -0.4528101729        3.3526946769       -2.0638756472
H            -0.5403990112        4.1881319786       -2.5226642211
H             0.1092608299        3.5158264076       -1.2717369868
O             0.9163546451        3.8807917370        0.1750572345
H             0.3374725905        3.5521184760        0.9333085270
H             1.1454220453        4.7832665594        0.3985470563
O            -3.2157304188       -0.4290964094        2.1689014893
H            -2.4691637206       -0.7401141473        2.7284905292
H            -3.2622671548       -1.0428370869        1.4181215818
O            -2.0308417380        1.3793612301       -1.0084982793
H            -1.5893130478        2.1330408622       -1.4292510759
H            -2.4245407428        1.6988196859       -0.1723914263
O            -1.0289805944       -1.2286959047        3.5065451589
H            -0.4525736921       -0.4698963660        3.3020713207
H            -0.5431359152       -1.9986661456        3.1776077590
O             0.6406836582       -3.1456585017        2.3187166593
H             1.4720444158       -2.6918724092        2.0137345815
H             0.9161023497       -3.9906592293        2.6734810268
O            -0.6601221407       -2.6653298399        0.0137826235
H            -1.6291304724       -2.6223371364        0.1064975186
H            -0.2869637792       -2.9314486809        0.8754022400
O             3.0002096135       -2.1660495383       -1.3713800740
H             2.1404652432       -2.5236615434       -1.7352444933
H             3.6964871418       -2.7028398866       -1.7485635155
O             2.1953795202        0.4164052092       -1.5385494415
H             2.6526617290       -0.4404839466       -1.5664055733
H             1.4031291882        0.2520586258       -0.9741242783
O            -0.7333008171       -1.1191636362       -3.6489293087
H            -0.8531757239       -1.2888721382       -4.5834288936
H            -0.2742789573       -0.2365433813       -3.5894271995
O            -3.3130785431       -2.1905220444        0.0048737697
H            -3.2598385307       -1.6770739536       -0.8505529089
H            -4.0634568756       -2.7781983900       -0.0789070368
O             3.2878134548        0.5997919200        2.1231689306
H             4.0164699925        0.8377762065        2.6952480047
H             3.2960777322        1.2508784038        1.3654239679
O            -2.9820409163        2.0343016983        1.4123903057
H            -3.8210577871        2.4337302884        1.6409745283
H            -3.0358970211        1.0859211182        1.7432003874
O             2.8450498450       -2.0488720729        1.4005148294
H             3.0106338331       -1.1253539955        1.6529918430
H             2.8921295382       -2.0797164921        0.4290999644
O             0.0259672704       -0.0845696558       -0.0837812735
H            -0.7455954044        0.4010706828       -0.4448746177
H            -0.2100169232       -1.0389388408       -0.0956522159
O             0.7145993102       -3.0294543307       -2.2921384579
H             0.2557346039       -2.3624745945       -2.8345229215
H             0.1949055657       -3.0695984889       -1.4698004590
O             3.1934183446        2.2755076621        0.1204205766
H             2.4212467297        2.8627987135        0.1832707719
H             2.9638352712        1.6438993505       -0.5922291215
O             0.5864966053        0.6726635601        2.4231168131
H             1.5551101763        0.6345858993        2.4865684398
H             0.3792356049        0.3840607670        1.5057215818
O            -3.0659334791       -0.8211034325       -2.2084330326
H            -2.8416322884        0.0512608418       -1.8396244531
H            -2.2781176689       -1.0715894296       -2.7235795786
    63
 Energy=    -106.840664573770
O             0.5608377071        1.1605916294       -3.5347740191
H             0.1207031043        1.9110392001       -3.1092600923
H             1.2889065608        0.9207521141       -2.9247178806
O            -0.5375299701        3.0724794969        2.1446706462
H            -1.4411049685        2.8032482173        1.9052466281
H            -0.0963811878        2.2335761374        2.4037632642
O            -0.4528137483        3.3527176794       -2.0638622386
H            -0.5404117825        4.1881614839       -2.5226412698
H             0.1092660591        3.5158448436       -1.2717327171
O             0.9163684061        3.8808127491        0.1750669866
H             0.3374815866        3.5521396190        0.9333149396
H             1.1454122431        4.7832950043        0.3985505892
O            -3.2157415420       -0.4290969910        2.1689068734
H            -2.4691825499       -0.7401172990        2.7285015269
H            -3.2622638918       -1.0428269474        1.4181133572
O            -2.0308389729        1.3793579404       -1.0084967847
H            -1.5893081081        2.1330428331       -1.4292354239
H            -2.4245379609        1.6988032848       -0.1723826869
O            -1.0289882679       -1.2286974089        3.5065751394
H            -0.4525934197       -0.4698919347        3.3020854719
H            -0.5431443606       -1.9986605069        3.1776096476
O             0.6406729982       -3.1456614191        2.3187236047
H             1.4720254505       -2.6918562667        2.0137316199
H             0.9160873449       -3.9906238077        2.6734932629
O            -0.6601347009       -2.6653712896        0.0137628722
H            -1.6291484511       -2.6223596457        0.1064716512
H            -0.2869878489       -2.9314745749        0.8753934123
O             3.0002474949       -2.1660577734       -1.3713958753
H             2.1405118774       -2.5236808887       -1.7352606051
H             3.6965295124       -2.7028550073       -1.7485599767
O             2.1953878490        0.4163962280       -1.5385359745
H             2.6526804957       -0.4404850480       -1.5663969209
H             1.4031339519        0.2520430296       -0.9741234048
O            -0.7332923018       -1.1192017862       -3.6489226032
H            -0.8532212720       -1.2888688197       -4.5834242649
H            -0.2742841726       -0.2365695754       -3.5894297690
O            -3.3130885060       -2.1904944430        0.0048569821
H            -3.2598452370       -1.6770557674       -0.8505691497
H            -4.0634825883       -2.7781675091       -0.0789236314
O             3.2878204119        0.5998076122        2.1231480806
H             4.0165235199        0.8377573134        2.6951923224
H             3.2960730991        1.2509003926        1.3654126924
O            -2.9820408831        2.0342982680        1.4123933577
H            -3.8210484204        2.4337320762        1.6409936819
H            -3.0358994519        1.0859184632        1.7432049261
O             2.8450213725       -2.0488486119        1.4005028074
H             3.0106077906       -1.1253271404        1.6529808835
H             2.8921293103       -2.0796963356        0.4290942799
O             0.0259652724       -0.0846048596       -0.0837698245
H            -0.7455939265        0.4010376402       -0.4448709356
H            -0.2100207116       -1.0389657684       -0.0956533942
O             0.7146357690       -3.0294878022       -2.2921440777
H             0.2557600354       -2.3625175731       -2.8345309956
H             0.1949419140       -3.0696414163       -1.4698035911
O             3.1934286291        2.2755224654        0.1204102021
H             2.4212673530        2.8628257954        0.1832535525
H             2.9638382687        1.6439148208       -0.5922348411
O             0.5864873672        0.6726602642        2.4231108529
H             1.5551049216        0.6345891330        2.4865725860
H             0.3792389478        0.3840473108        1.5057304760
O            -3.0659288993       -0.8210834178       -2.2084497135
H            -2.8416178080        0.0512765781       -1.8396410275
H            -2.2781096126       -1.0715843849       -2.7235860094
    63
 Energy=    -106.840664593120
O             0.5608367876        1.1603658381       -3.5346639119
H             0.1206533588        1.9107392181       -3.1090835508
H             1.2889331693        0.9205521366       -2.9246227160
O            -0.5374985392        3.0724972811        2.1446368895
H            -1.4410810693        2.8033295580        1.9051922887
H            -0.0963757266        2.2335485677        2.4036349096
O            -0.4527657174        3.3526590266       -2.0636199945
H            -0.5406212088        4.1881011310       -2.5223520141
H             0.1093508370        3.5159048006       -1.2715437518
O             0.9164419245        3.8812575199        0.1752032228
H             0.3375662610        3.5524518884        0.9333919535
H             1.1455310306        4.7836820454        0.3988837969
O            -3.2158419710       -0.4291263293        2.1689441305
H            -2.4692954259       -0.7401496023        2.7285389736
H            -3.2623392224       -1.0428438577        1.4181390575
O            -2.0306787557        1.3793232795       -1.0082295970
H            -1.5892004447        2.1330238319       -1.4290021164
H            -2.4244550339        1.6987826989       -0.1721645139
O            -1.0291363916       -1.2285976960        3.5066587213
H            -0.4526841747       -0.4698056880        3.3023298715
H            -0.5433499852       -1.9985527987        3.1775407622
O             0.6403501950       -3.1456717705        2.3187631170
H             1.4715748579       -2.6917387226        2.0136854776
H             0.9160002032       -3.9904185775        2.6738656742
O            -0.6602752896       -2.6658029410        0.0135207402
H            -1.6292954962       -2.6228004627        0.1061095794
H            -0.2872036187       -2.9319076620        0.8751754480
O             3.0005775349       -2.1659791895       -1.3715019553
H             2.1408925738       -2.5236811375       -1.7353878139
H             3.6969106423       -2.7027515596       -1.7485950924
O             2.1954098156        0.4163240871       -1.5384323391
H             2.6527725733       -0.4405018602       -1.5664640918
H             1.4032593739        0.2518870754       -0.9739157396
O            -0.7332157744       -1.1194887573       -3.6489024558
H            -0.8533202055       -1.2890225282       -4.5834081372
H            -0.2741360225       -0.2368911952       -3.5893554121
O            -3.3132976486       -2.1904485209        0.0047209846
H            -3.2600186754       -1.6768812777       -0.8506218898
H            -4.0639092810       -2.7778444930       -0.0790800109
O             3.2879067584        0.6000095096        2.1228540813
H             4.0168114072        0.8377757602        2.6947196637
H             3.2961258391        1.2511021945        1.3651382765
O            -2.9821336851        2.0343176105        1.4125367139
H            -3.8211002214        2.4337771289        1.6412596450
H            -3.0359900806        1.0859386962        1.7433414560
O             2.8445659908       -2.0486294162        1.4003506638
H             3.0103562146       -1.1251236063        1.6527690964
H             2.8918713947       -2.0795781932        0.4289593109
O             0.0260436276       -0.0849895693       -0.0836556355
H            -0.7454770553        0.4007356996       -0.4447526620
H            -0.2100311782       -1.0393185607       -0.0955580956
O             0.7150578407       -3.0297071018       -2.2922856050
H             0.2561338201       -2.3628304927       -2.8347341146
H             0.1952138321       -3.0699464305       -1.4700509362
O             3.1934751948        2.2758416882        0.1201338633
H             2.4213430526        2.8631498987        0.1830800496
H             2.9637939239        1.6442105222       -0.5924621348
O             0.5865519667        0.6726526855        2.4231304874
H             1.5551656089        0.6347868044        2.4865369225
H             0.3793129617        0.3838422959        1.5058038359
O            -3.0659508367       -0.8207979705       -2.2084997450
H            -2.8415213067        0.0515050251       -1.8396319781
H            -2.2780794294       -1.0714899370       -2.7234621704
    63
 Energy=    -106.840664601170
O             0.5608435466        1.1602822778       -3.5344771777
H             0.1206876208        1.9107193653       -3.1089779586
H             1.2889304075        0.9204823253       -2.9244133601
O            -0.5374838483        3.0724579305        2.1445124439
H            -1.4410971530        2.8032377650        1.9051786195
H            -0.0963163675        2.2335473852        2.4035221356
O            -0.4527940917        3.3526669766       -2.0635728793
H            -0.5409961019        4.1880398523       -2.5223640335
H             0.1093166516        3.5161765463       -1.2715570862
O             0.9164792426        3.8814897205        0.1751852057
H             0.3376297424        3.5525519705        0.9333275495
H             1.1456755520        4.7838361593        0.3990675493
O            -3.2159436479       -0.4291836317        2.1689266372
H            -2.4693516413       -0.7401471770        2.7285081414
H            -3.2624141556       -1.0429133071        1.4181225237
O            -2.0304989595        1.3792677685       -1.0079326061
H            -1.5890228539        2.1329598756       -1.4287217313
H            -2.4243638234        1.6987524151       -0.1719252052
O            -1.0291863978       -1.2284953475        3.5065991218
H            -0.4526565143       -0.4697478925        3.3023219642
H            -0.5434814721       -1.9984804384        3.1774825612
O             0.6400980720       -3.1456599965        2.3186874008
H             1.4712950401       -2.6917054146        2.0135619938
H             0.9158205568       -3.9902572709        2.6740884160
O            -0.6603667531       -2.6660058696        0.0133029752
H            -1.6293887540       -2.6229144611        0.1058907272
H            -0.2873751718       -2.9321484837        0.8749749369
O             3.0007015457       -2.1660556277       -1.3714936642
H             2.1410419094       -2.5237690832       -1.7354313332
H             3.6970875158       -2.7027066285       -1.7486698114
O             2.1955092345        0.4162680451       -1.5383328035
H             2.6529545238       -0.4405189126       -1.5663074522
H             1.4033381994        0.2517709939       -0.9738575399
O            -0.7331633846       -1.1195658557       -3.6487779969
H            -0.8530780072       -1.2891820891       -4.5832926607
H            -0.2740991448       -0.2369656451       -3.5892236874
O            -3.3133502640       -2.1904518415        0.0046540739
H            -3.2600319647       -1.6768142613       -0.8506399323
H            -4.0641030770       -2.7776688246       -0.0791336534
O             3.2879730591        0.6001055663        2.1225800729
H             4.0168515237        0.8378584563        2.6944838858
H             3.2961855339        1.2512587629        1.3649108942
O            -2.9822225520        2.0343042130        1.4127000001
H            -3.8211918021        2.4337739382        1.6413807767
H            -3.0361308202        1.0858914573        1.7434102755
O             2.8442823700       -2.0485591300        1.4002902294
H             3.0101122034       -1.1250510223        1.6526218325
H             2.8916864437       -2.0796158749        0.4289034611
O             0.0261223652       -0.0851830183       -0.0835706279
H            -0.7453987681        0.4006223580       -0.4445517063
H            -0.2100082042       -1.0394995285       -0.0955942839
O             0.7152306272       -3.0297799707       -2.2923600076
H             0.2562958378       -2.3628682159       -2.8347588883
H             0.1953901543       -3.0700621613       -1.4701259087
O             3.1934752804        2.2760259769        0.1199438449
H             2.4213203567        2.8633212582        0.1828396061
H             2.9637954029        1.6442887797       -0.5925570954
O             0.5866598636        0.6726820068        2.4231550278
H             1.5552892140        0.6348757033        2.4864699606
H             0.3793592318        0.3837310369        1.5058897238
O            -3.0659198530       -0.8206774891       -2.2084276630
H            -2.8414011235        0.0515781982       -1.8394992435
H            -2.2780910527       -1.0714130145       -2.7234370911
    63
 Energy=    -106.840664601890
O             0.5608434271        1.1602757684       -3.5344735708
H             0.1206869735        1.9107140481       -3.1089796882
H             1.2889242118        0.9204760869       -2.9244060940
O            -0.5374871924        3.0724544837        2.1445116303
H            -1.4410911216        2.8032350054        1.9051833804
H            -0.0963128800        2.2335398974        2.4035236469
O            -0.4527884720        3.3526661503       -2.0635691607
H            -0.5409889937        4.1880332850       -2.5223694284
H             0.1093182742        3.5161810821       -1.2715524719
O             0.9164799409        3.8814970233        0.1751908715
H             0.3376321217        3.5525578653        0.9333335795
H             1.1456722814        4.7838438244        0.3990760645
O            -3.2159476385       -0.4291856143        2.1689238713
H            -2.4693520688       -0.7401470424        2.7285066528
H            -3.2624103070       -1.0429077146        1.4181203266
O            -2.0304908822        1.3792618141       -1.0079255611
H            -1.5890139050        2.1329560608       -1.4287127898
H            -2.4243605025        1.6987504161       -0.1719169064
O            -1.0291892470       -1.2284908452        3.5066005736
H            -0.4526545150       -0.4697472144        3.3023230341
H            -0.5434840766       -1.9984810506        3.1774770718
O             0.6400875066       -3.1456592049        2.3186832794
H             1.4712848037       -2.6917033854        2.0135574006
H             0.9158129324       -3.9902508840        2.6740952816
O            -0.6603713331       -2.6660085201        0.0132939788
H            -1.6293921273       -2.6229147481        0.1058808945
H            -0.2873793198       -2.9321517439        0.8749665359
O             3.0007040574       -2.1660539118       -1.3714973488
H             2.1410458268       -2.5237712002       -1.7354359098
H             3.6970923398       -2.7026993137       -1.7486753356
O             2.1955064996        0.4162682734       -1.5383304436
H             2.6529551509       -0.4405220943       -1.5663061864
H             1.4033354551        0.2517671199       -0.9738536489
O            -0.7331652174       -1.1195724846       -3.6487738123
H            -0.8530768122       -1.2891914237       -4.5832886287
H            -0.2741002734       -0.2369732066       -3.5892192804
O            -3.3133508930       -2.1904510893        0.0046542077
H            -3.2600316939       -1.6768140429       -0.8506410736
H            -4.0641078553       -2.7776624467       -0.0791305962
O             3.2879741741        0.6001109000        2.1225740058
H             4.0168470961        0.8378712927        2.6944807131
H             3.2961857241        1.2512632752        1.3649033659
O            -2.9822257508        2.0343038660        1.4126975216
H            -3.8211945768        2.4337742638        1.6413793540
H            -3.0361336575        1.0858923136        1.7434117431
O             2.8442728777       -2.0485567918        1.4002856171
H             3.0101056358       -1.1250459805        1.6526152178
H             2.8916830505       -2.0796142608        0.4289005713
O             0.0261228747       -0.0851884199       -0.0835653343
H            -0.7453944560        0.4006202387       -0.4445451956
H            -0.2100043195       -1.0395037138       -0.0955938361
O             0.7152383730       -3.0297835726       -2.2923616380
H             0.2562967000       -2.3628703642       -2.8347584518
H             0.1953955414       -3.0700690287       -1.4701309930
O             3.1934746159        2.2760319494        0.1199380770
H             2.4213199982        2.8633302427        0.1828350413
H             2.9637920261        1.6442953303       -0.5925602964
O             0.5866639546        0.6726788051        2.4231566995
H             1.5552970186        0.6348755994        2.4864694427
H             0.3793647326        0.3837277874        1.5058955230
O            -3.0659186758       -0.8206742031       -2.2084297993
H            -2.8413950821        0.0515790880       -1.8394956986
H            -2.2780912485       -1.0714100368       -2.7234365194
    63
 Energy=    -106.840664604000
O             0.5608700737        1.1602545510       -3.5344436514
H             0.1207289226        1.9107083472       -3.1089634846
H             1.2889266131        0.9204291354       -2.9243575835
O            -0.5374673681        3.0724199078        2.1444806175
H            -1.4410796560        2.8032103057        1.9051919956
H            -0.0962677846        2.2335055946        2.4034705076
O            -0.4527524641        3.3526034247       -2.0635272626
H            -0.5410093784        4.1879350851       -2.5223807381
H             0.1093822319        3.5161883355       -1.2715448501
O             0.9164912073        3.8815934160        0.1752069585
H             0.3376391594        3.5526229511        0.9333316996
H             1.1456607686        4.7839449281        0.3990949702
O            -3.2159861352       -0.4292124554        2.1689190144
H            -2.4693914026       -0.7401685532        2.7285121979
H            -3.2623915008       -1.0428762927        1.4180694496
O            -2.0304217593        1.3792144808       -1.0078068506
H            -1.5888833494        2.1328958961       -1.4285513836
H            -2.4243275773        1.6987018294       -0.1718118577
O            -1.0292016841       -1.2284654600        3.5065862935
H            -0.4526637293       -0.4697231294        3.3023131880
H            -0.5435152424       -1.9984444972        3.1773958424
O             0.6399670792       -3.1456391324        2.3186153124
H             1.4711636434       -2.6916780202        2.0135023559
H             0.9156999423       -3.9901748712        2.6741549809
O            -0.6604136515       -2.6660498446        0.0131817252
H            -1.6294333771       -2.6229245225        0.1057642666
H            -0.2874523923       -2.9321790974        0.8748674140
O             3.0007473740       -2.1660399319       -1.3715337784
H             2.1410894155       -2.5237660831       -1.7354754910
H             3.6971437380       -2.7026962288       -1.7486797365
O             2.1954750389        0.4162380999       -1.5382946700
H             2.6529279260       -0.4405516522       -1.5662909775
H             1.4033355253        0.2517020475       -0.9737789341
O            -0.7331493203       -1.1195959726       -3.6486864894
H            -0.8530150857       -1.2892698214       -4.5831969699
H            -0.2740906510       -0.2369883946       -3.5891528802
O            -3.3133729859       -2.1904293864        0.0046443976
H            -3.2600381388       -1.6768057831       -0.8506614640
H            -4.0641541156       -2.7776148960       -0.0791125411
O             3.2879792490        0.6001714014        2.1224882110
H             4.0168622285        0.8379589624        2.6943722310
H             3.2961455121        1.2513261234        1.3648194175
O            -2.9822813170        2.0342672323        1.4127211883
H            -3.8212393445        2.4337583052        1.6414065685
H            -3.0361995300        1.0858605651        1.7434588159
O             2.8441560334       -2.0485091522        1.4002468817
H             3.0100115020       -1.1249923354        1.6525416508
H             2.8916678019       -2.0796230900        0.4288677750
O             0.0261631494       -0.0852707860       -0.0835111416
H            -0.7453490548        0.4005596947       -0.4444729383
H            -0.2099717810       -1.0395832429       -0.0955813342
O             0.7152909779       -3.0297845002       -2.2923739858
H             0.2563078945       -2.3628462857       -2.8347159560
H             0.1954415564       -3.0702047413       -1.4701547258
O             3.1934657923        2.2761301077        0.1198667863
H             2.4213246363        2.8634463808        0.1827970504
H             2.9637414563        1.6443751364       -0.5926003839
O             0.5867228098        0.6726516583        2.4231602763
H             1.5553593299        0.6348794533        2.4864785672
H             0.3794376096        0.3836838673        1.5059041898
O            -3.0659027052       -0.8206095180       -2.2084280837
H            -2.8413204397        0.0515961358       -1.8394093682
H            -2.2780721718       -1.0713580826       -2.7234238068
