    18
 Energy=    -45.9398026650671
O            -2.0633438110       -0.7992467684       -0.8037651294
H            -2.9064047050       -1.0894930190       -1.1498110630
H            -2.2628450610       -0.2721128093       -0.0068426578
O             0.2989126998        2.0534514020        0.9184022972
H             0.4189582846        1.5988587910        0.0515383627
H             0.7136919681        2.9112907850        0.8399548822
O             0.4709826809        0.5462131403       -1.2687477540
H             0.7501908130       -0.2937144518       -0.8636505449
H            -0.4366760344        0.3416391364       -1.5231532490
O             0.3562862486       -0.1553764268        2.5976711030
H             0.9220502000       -0.2149378361        3.3671900890
H             0.5690221334        0.6878532275        2.1649961630
O             0.4886422058       -1.8336731000        0.2082959728
H            -0.4386213216       -1.8471873980       -0.0570364804
H             0.4784190616       -1.4613732170        1.0989790910
O            -2.1954471020        0.7143043922        1.4803097080
H            -1.5924352540        1.4435552590        1.2851471960
H            -1.7010350070        0.2129618923        2.1386120150
    18
 Energy=    -45.9388256891195
O            -2.0638266170       -0.7979249762       -0.8057433324
H            -2.9076149280       -1.0870506390       -1.1513737920
H            -2.2624262910       -0.2701006960       -0.0090907022
O             0.2972169962        2.0508649240        0.9181724314
H             0.4187551952        1.5958975360        0.0516076486
H             0.7060558496        2.9114296070        0.8379079999
O             0.4727517019        0.5449133925       -1.2696559590
H             0.7515548148       -0.2950619803       -0.8641642746
H            -0.4350421699        0.3405659215       -1.5240646170
O             0.3566896156       -0.1557784712        2.5995944400
H             0.9315424081       -0.2220227911        3.3620243790
H             0.5691833490        0.6879071497        2.1678093870
O             0.4883319412       -1.8307849730        0.2122794906
H            -0.4387079099       -1.8459849050       -0.0539545987
H             0.4767636877       -1.4545693870        1.1014375530
O            -2.1955661900        0.7158759803        1.4789189320
H            -1.5877427770        1.4417188070        1.2856009290
H            -1.7075706770        0.2131185008        2.1407840860
    18
 Energy=    -45.9376033115342
O            -2.0642135070       -0.7960868326       -0.8068455305
H            -2.9074645200       -1.0910574070       -1.1485057320
H            -2.2630104000       -0.2686829593       -0.0099468813
O             0.2966708200        2.0508379290        0.9181912408
H             0.4193032870        1.5972114130        0.0512147382
H             0.7015755033        2.9131461780        0.8386869039
O             0.4768092173        0.5440133748       -1.2689430350
H             0.7503786194       -0.2960529676       -0.8604159589
H            -0.4290152265        0.3417673465       -1.5308910020
O             0.3569468997       -0.1548135411        2.6004400470
H             0.9366995448       -0.2253609721        3.3585038440
H             0.5700560435        0.6887511718        2.1688214930
O             0.4850567541       -1.8305974930        0.2123363916
H            -0.4423097057       -1.8430554650       -0.0523904286
H             0.4762053028       -1.4543783350        1.1013787500
O            -2.1964134420        0.7146228631        1.4796249650
H            -1.5884349300        1.4398112430        1.2846745080
H            -1.7084922600        0.2129374542        2.1421556880
    18
 Energy=    -45.9363239018981
O            -2.0632510490       -0.7924947917       -0.8046647125
H            -2.9054925680       -1.0933216400       -1.1432847730
H            -2.2631471680       -0.2671507387       -0.0066957266
O             0.2967016209        2.0492784720        0.9165879761
H             0.4202664085        1.5951846060        0.0499763082
H             0.6996041657        2.9125848420        0.8352897963
O             0.4800353777        0.5439815633       -1.2719628870
H             0.7523130168       -0.2963055325       -0.8622899360
H            -0.4252598749        0.3421735831       -1.5362756270
O             0.3564104328       -0.1565745489        2.6016058200
H             0.9352880571       -0.2264065486        3.3603920380
H             0.5695168873        0.6872130272        2.1704483990
O             0.4855019874       -1.8294615060        0.2111567288
H            -0.4417178098       -1.8391367340       -0.0548552244
H             0.4762229815       -1.4547941900        1.1010445470
O            -2.2001113270        0.7162013223        1.4818861060
H            -1.5897502510        1.4394441480        1.2860323550
H            -1.7127828880        0.2125976655        2.1436988120
    18
 Energy=    -45.9352382032501
O            -2.0627814890       -0.7899586726       -0.8044531240
H            -2.9043468210       -1.0908240490       -1.1440401640
H            -2.2635457090       -0.2661144380       -0.0056857473
O             0.2948206034        2.0490130120        0.9150421787
H             0.4197696184        1.5941213920        0.0489659301
H             0.6954893302        2.9133132910        0.8321457224
O             0.4830326229        0.5431442280       -1.2729287010
H             0.7546871806       -0.2969825700       -0.8622796019
H            -0.4231008951        0.3421059986       -1.5359393840
O             0.3577624531       -0.1577392484        2.6016854080
H             0.9377973478       -0.2264344083        3.3599917910
H             0.5701318112        0.6857394062        2.1696088250
O             0.4851035007       -1.8294275280        0.2120560149
H            -0.4417173075       -1.8378065760       -0.0555817993
H             0.4748856610       -1.4561093050        1.1025514250
O            -2.2017377450        0.7163383925        1.4835037680
H            -1.5903612700        1.4388192440        1.2880376300
H            -1.7155408920        0.2118148317        2.1454098280
    18
 Energy=    -45.9336561671905
O            -2.0629004200       -0.7879387589       -0.8054728391
H            -2.9040645100       -1.0889733350       -1.1459018680
H            -2.2643259430       -0.2652969057       -0.0061193563
O             0.2920236206        2.0489877440        0.9134147230
H             0.4188956669        1.5936944350        0.0477462730
H             0.6906986579        2.9141982640        0.8302544470
O             0.4869611954        0.5422606158       -1.2733851630
H             0.7559380296       -0.2979488504       -0.8609801417
H            -0.4200549349        0.3435241879       -1.5355218920
O             0.3602519690       -0.1584265387        2.6018052280
H             0.9419464144       -0.2256602449        3.3592693310
H             0.5716392482        0.6843528037        2.1679005230
O             0.4834975311       -1.8293014140        0.2134652577
H            -0.4429950604       -1.8362525060       -0.0551633501
H             0.4729903529       -1.4580685400        1.1047335150
O            -2.2022448400        0.7154325331        1.4846802200
H            -1.5905614020        1.4377743840        1.2901932160
H            -1.7173475760        0.2106551261        2.1471718750
    18
 Energy=    -45.9287185085596
O            -2.0646749980       -0.7842544445       -0.8101262445
H            -2.9055351940       -1.0784270500       -1.1574162960
H            -2.2679161260       -0.2630081645       -0.0103898587
O             0.2810120047        2.0479728570        0.9094047434
H             0.4157939482        1.5933593060        0.0444842365
H             0.6775149467        2.9141618340        0.8308981450
O             0.4939888671        0.5385214460       -1.2701266920
H             0.7558556375       -0.3022728364       -0.8552298604
H            -0.4129556311        0.3462325351       -1.5354150600
O             0.3703475888       -0.1565098920        2.6030333570
H             0.9559259670       -0.2204125463        3.3572237470
H             0.5768898104        0.6854547945        2.1655461680
O             0.4782820682       -1.8312904630        0.2177403358
H            -0.4480893549       -1.8337657410       -0.0500272450
H             0.4704042253       -1.4602986690        1.1088370500
O            -2.2007937480        0.7100497609        1.4868945450
H            -1.5883502940        1.4318178160        1.2924547920
H            -1.7173517180        0.2056824565        2.1503041390
    18
 Energy=    -45.9242193003586
O            -2.0638086710       -0.7769381861       -0.8118054709
H            -2.9046094960       -1.0637645100       -1.1673472760
H            -2.2699579520       -0.2592913409       -0.0105158143
O             0.2737537839        2.0437720070        0.9064579533
H             0.4130851489        1.5888465840        0.0424504054
H             0.6677190162        2.9114486890        0.8285449446
O             0.4956342587        0.5357711683       -1.2709731710
H             0.7581945868       -0.3058208700       -0.8579461509
H            -0.4095734628        0.3422926411       -1.5401328160
O             0.3763167955       -0.1540920515        2.6060305690
H             0.9613872750       -0.2124141494        3.3605299920
H             0.5776725345        0.6883397748        2.1672047290
O             0.4766586832       -1.8335608350        0.2200825627
H            -0.4497520126       -1.8327767450       -0.0473919564
H             0.4707214492       -1.4587511650        1.1100752200
O            -2.2008170690        0.7062705719        1.4922759480
H            -1.5843425520        1.4246560940        1.2960718440
H            -1.7179343170        0.1990253232        2.1544784870
    18
 Energy=    -45.9133086730410
O            -2.0595024480       -0.7620725887       -0.8134924513
H            -2.8998734240       -1.0325149020       -1.1836145800
H            -2.2684638330       -0.2534231927       -0.0071847535
O             0.2665716009        2.0372561910        0.9037205044
H             0.4077393726        1.5801932930        0.0408744700
H             0.6472562432        2.9103589180        0.8184125581
O             0.4987581759        0.5306672683       -1.2765705020
H             0.7689800307       -0.3086555525       -0.8638681041
H            -0.4064171052        0.3291004915       -1.5415574080
O             0.3799639375       -0.1512818911        2.6077442320
H             0.9688356745       -0.2005494781        3.3603586490
H             0.5741973715        0.6904956766        2.1642704900
O             0.4760896068       -1.8387989650        0.2244180727
H            -0.4496345742       -1.8373912840       -0.0452393164
H             0.4701837525       -1.4587955810        1.1124703730
O            -2.2020164000        0.7028578953        1.5035946940
H            -1.5775835040        1.4149656080        1.3075790320
H            -1.7247364760        0.1906010934        2.1661740400
    18
 Energy=    -45.9035662966267
O            -2.0566461950       -0.7546401380       -0.8142678073
H            -2.8964051830       -1.0140106250       -1.1914910730
H            -2.2648109210       -0.2503618415       -0.0049165876
O             0.2648397593        2.0335474300        0.9025126116
H             0.4036757933        1.5757821930        0.0395724305
H             0.6323790122        2.9114355890        0.8119889325
O             0.5032210330        0.5270693274       -1.2810195010
H             0.7781100237       -0.3091121593       -0.8660364250
H            -0.4039550230        0.3209852633       -1.5374157160
O             0.3792528538       -0.1501390033        2.6060661510
H             0.9728270333       -0.1953044238        3.3557278960
H             0.5704888126        0.6901661210        2.1580268230
O             0.4760141818       -1.8406167700        0.2258304241
H            -0.4494626252       -1.8418010530       -0.0439433530
H             0.4690983560       -1.4627478870        1.1141880510
O            -2.2020726900        0.7021010929        1.5097312970
H            -1.5742273300        1.4117254880        1.3174241760
H            -1.7319788920        0.1889343963        2.1761116700
    18
 Energy=    -45.9013975205742
O            -2.0557615730       -0.7541839956       -0.8131125074
H            -2.8962698220       -1.0175142100       -1.1861746380
H            -2.2623489940       -0.2485220559       -0.0040639559
O             0.2656694816        2.0317515610        0.9014393267
H             0.4047493280        1.5755920250        0.0377093407
H             0.6318205914        2.9101067990        0.8121363973
O             0.5054513590        0.5275504574       -1.2837591660
H             0.7797274322       -0.3084108961       -0.8681612697
H            -0.4020608092        0.3224784301       -1.5391582670
O             0.3756165236       -0.1508338093        2.6054976280
H             0.9682822250       -0.1942452792        3.3560759480
H             0.5680222150        0.6879461419        2.1551711450
O             0.4774699503       -1.8390392140        0.2233210034
H            -0.4484107041       -1.8416634800       -0.0448401486
H             0.4701398245       -1.4661678150        1.1135168700
O            -2.2023425410        0.7038619465        1.5114137370
H            -1.5738263060        1.4131755990        1.3210142540
H            -1.7355801810        0.1911307956        2.1800643000
    18
 Energy=    -45.8923778476592
O            -2.0532420920       -0.7485244103       -0.8151813421
H            -2.8981414750       -1.0101121060       -1.1789003700
H            -2.2529179380       -0.2444364357       -0.0036395552
O             0.2632749385        2.0298780540        0.8950747549
H             0.4091289844        1.5761718310        0.0312921705
H             0.6294600836        2.9085893350        0.8117109120
O             0.5082384533        0.5273346639       -1.2866985940
H             0.7829979244       -0.3094473518       -0.8724636972
H            -0.4007581331        0.3237218360       -1.5404304440
O             0.3702353289       -0.1479994359        2.6075066630
H             0.9654180320       -0.1905478382        3.3554640380
H             0.5635573988        0.6876518840        2.1523929060
O             0.4789765540       -1.8387301670        0.2220639869
H            -0.4482894289       -1.8446310330       -0.0436874108
H             0.4692035672       -1.4706023910        1.1141227760
O            -2.2026637730        0.6991141856        1.5145804780
H            -1.5721124000        1.4071324490        1.3260401140
H            -1.7420180260        0.1884499287        2.1888426130
    18
 Energy=    -45.8677576449546
O            -2.0476812070       -0.7317361230       -0.8189169012
H            -2.8939831190       -0.9538301175       -1.2052928930
H            -2.2458666480       -0.2388673522        0.0001925774
O             0.2530052605        2.0355062780        0.8831323882
H             0.4059649065        1.5772442180        0.0223524814
H             0.6120408090        2.9173015060        0.7952472695
O             0.5022047158        0.5163433347       -1.2827331320
H             0.7971273763       -0.3132994007       -0.8698792186
H            -0.4124103508        0.2998432639       -1.5045491000
O             0.3755352501       -0.1439357197        2.6107467140
H             0.9904917559       -0.1991475741        3.3420310420
H             0.5618013189        0.6965581757        2.1616782210
O             0.4818909280       -1.8543084420        0.2360234011
H            -0.4404735926       -1.8656375420       -0.0451041778
H             0.4627351825       -1.4593789920        1.1173456810
O            -2.2083661270        0.6886815831        1.5181005240
H            -1.5760311910        1.3944399220        1.3256025820
H            -1.7476372680        0.1772359829        2.1921125410
    18
 Energy=    -45.8341856816548
O            -2.0442880060       -0.7236686452       -0.8118766806
H            -2.8878737920       -0.9227860988       -1.2194098310
H            -2.2473339250       -0.2452083401        0.0156933318
O             0.2433783652        2.0362317930        0.8814270407
H             0.3972011801        1.5741757460        0.0226587618
H             0.6008133531        2.9181186390        0.7896914128
O             0.4989488111        0.5072838250       -1.2755914120
H             0.8074913083       -0.3218968777       -0.8719685364
H            -0.4175325952        0.2822072654       -1.4823200100
O             0.3696083395       -0.1389223597        2.6109396530
H             0.9948214944       -0.2085442173        3.3336609830
H             0.5689920532        0.6951390390        2.1562171410
O             0.4881580360       -1.8529647620        0.2354989795
H            -0.4340396290       -1.8604050740       -0.0430530566
H             0.4665211257       -1.4561450620        1.1149461960
O            -2.2081991880        0.6881168157        1.5127001240
H            -1.5753637140        1.3932927530        1.3185895620
H            -1.7509552180        0.1789885612        2.1902863400
    18
 Energy=    -45.8126384561120
O            -2.0480400260       -0.7224842741       -0.8178644314
H            -2.8899425920       -0.8998563167       -1.2354940820
H            -2.2518629290       -0.2504736159        0.0129602306
O             0.2394650926        2.0399075580        0.8850496992
H             0.3926767808        1.5730677760        0.0292638605
H             0.5952677821        2.9222163620        0.7876786581
O             0.4938268416        0.5050197890       -1.2652692040
H             0.8083027126       -0.3246225722       -0.8676085828
H            -0.4212565404        0.2766291748       -1.4725045060
O             0.3769252338       -0.1332125887        2.6088285990
H             1.0082929360       -0.2100361033        3.3244352160
H             0.5777800623        0.7004823727        2.1542906370
O             0.4867512111       -1.8554736870        0.2442861474
H            -0.4356983076       -1.8647599180       -0.0366936921
H             0.4634891873       -1.4542767180        1.1227699010
O            -2.2058741500        0.6801832488        1.5071169470
H            -1.5746466190        1.3867764190        1.3119332470
H            -1.7451086770        0.1739260929        2.1849113550
    18
 Energy=    -45.7299227474151
O            -2.0655624440       -0.7303006014       -0.8378102577
H            -2.9028065100       -0.8464134431       -1.2855155530
H            -2.2652139350       -0.2548661776       -0.0083608073
O             0.2327337564        2.0590811010        0.9012849428
H             0.3839432223        1.5809448760        0.0506539714
H             0.5771970814        2.9437088310        0.7869199853
O             0.4824018259        0.5030517095       -1.2343202040
H             0.8054997415       -0.3199805466       -0.8309073297
H            -0.4322834813        0.2647377792       -1.4363540180
O             0.4041003242       -0.1303965192        2.5830995460
H             1.0606045830       -0.2214452147        3.2717620090
H             0.5868103837        0.7159185017        2.1428827910
O             0.4917262177       -1.8796503030        0.2817031636
H            -0.4223255618       -1.9189522660       -0.0221760175
H             0.4447167198       -1.4534012010        1.1486423630
O            -2.2016532170        0.6731061911        1.4973684670
H            -1.5775257480        1.3836897980        1.2953332290
H            -1.7320149590        0.1741804843        2.1738837190
    18
 Energy=    -45.7116200142821
O            -2.0645738470       -0.7387526468       -0.8357429884
H            -2.8988069380       -0.8444469535       -1.2929203430
H            -2.2635160100       -0.2565356966       -0.0098205677
O             0.2310550851        2.0605437660        0.9022503992
H             0.3839246067        1.5826814660        0.0516924362
H             0.5686392459        2.9473134910        0.7877300096
O             0.4845909276        0.5034475667       -1.2301044460
H             0.8080354757       -0.3176152955       -0.8227407983
H            -0.4300457183        0.2624397164       -1.4305887640
O             0.4080742977       -0.1311971809        2.5787448800
H             1.0711017680       -0.2252953205        3.2620015000
H             0.5866104748        0.7176613842        2.1419418970
O             0.4834203867       -1.8819552120        0.2841621317
H            -0.4296672373       -1.9152416470       -0.0222695227
H             0.4371073003       -1.4523627870        1.1493156090
O            -2.1989879310        0.6719913682        1.4962135790
H            -1.5770116710        1.3839042190        1.2931103790
H            -1.7296022170        0.1764327627        2.1751146090
    18
 Energy=    -45.6378500980957
O            -2.0816423440       -0.7472398267       -0.8439862187
H            -2.9013734000       -0.8046462613       -1.3336507120
H            -2.2851571330       -0.2506191492       -0.0283706597
O             0.2251605835        2.0500294480        0.9005128374
H             0.3797870035        1.5719064140        0.0498555135
H             0.5590893920        2.9377712160        0.7897781543
O             0.4702256367        0.4939563668       -1.2160690140
H             0.8038413792       -0.3243454720       -0.8120790081
H            -0.4416548171        0.2417697149       -1.4140022870
O             0.4264328221       -0.1281285876        2.5830817620
H             1.0767398510       -0.2152853482        3.2794020460
H             0.5955866100        0.7258820129        2.1533136320
O             0.4951490912       -1.8845283520        0.2741418421
H            -0.4256355101       -1.9194468330        0.0008767193
H             0.4735828350       -1.4433600160        1.1334350070
O            -2.1981268190        0.6743636884        1.4977332340
H            -1.5814603500        1.3914028640        1.2964444810
H            -1.7201968300        0.1735311212        2.1676726700
    18
 Energy=    -45.6180005936033
O            -2.0911793010       -0.7372136561       -0.8609836849
H            -2.9115828150       -0.7934695744       -1.3488890220
H            -2.2965386700       -0.2508362044       -0.0411346024
O             0.2279474779        2.0530627760        0.9020515152
H             0.3776649176        1.5747988310        0.0505689602
H             0.5631706891        2.9414513900        0.7889532031
O             0.4623609154        0.4914561284       -1.2107420060
H             0.7966896655       -0.3268276077       -0.8071646167
H            -0.4498470144        0.2392093701       -1.4087023250
O             0.4322544591       -0.1268300931        2.5850162930
H             1.0832113300       -0.2109242239        3.2825977770
H             0.5993480670        0.7272925230        2.1537291320
O             0.5052006241       -1.8869843900        0.2786673146
H            -0.4161294448       -1.9428790540        0.0132534111
H             0.4840746469       -1.4451235760        1.1375298230
O            -2.1970511350        0.6724757789        1.4976737630
H            -1.5847077240        1.3960889330        1.3034341410
H            -1.7145386890        0.1682656490        2.1622309250
    18
 Energy=    -45.5218245103075
O            -2.1089137880       -0.7121121807       -0.8921749257
H            -2.9284076880       -0.7755474095       -1.3807646270
H            -2.3198963860       -0.2496193527       -0.0609478404
O             0.2356565910        2.0683235250        0.9050800947
H             0.3723493451        1.5865474410        0.0531906259
H             0.5731299238        2.9540259450        0.7858852935
O             0.4451755373        0.4816740674       -1.2002624870
H             0.7830330986       -0.3369992945       -0.7998689233
H            -0.4664627796        0.2280616255       -1.3968062230
O             0.4476545798       -0.1363024173        2.5817238420
H             1.0979548240       -0.2064983846        3.2798725690
H             0.5924555590        0.7265843139        2.1607275540
O             0.5308908681       -1.8851057250        0.2889386691
H            -0.3883551795       -1.9979874410        0.0323911439
H             0.4956802079       -1.4495038530        1.1510125860
O            -2.1950524030        0.6746724005        1.4997766810
H            -1.5922492260        1.4082858040        1.3186866390
H            -1.7042950840        0.1645139356        2.1516293270
    18
 Energy=    -45.5052103897752
O            -2.1096189230       -0.7098874377       -0.8905602521
H            -2.9281612590       -0.7748780366       -1.3814853700
H            -2.3227011900       -0.2463319286       -0.0598680195
O             0.2362455878        2.0702027150        0.9044776896
H             0.3715112320        1.5874459430        0.0529782442
H             0.5751238087        2.9546314020        0.7846641410
O             0.4427431735        0.4804856614       -1.2000863050
H             0.7835750795       -0.3379060634       -0.8020827281
H            -0.4683004459        0.2252293907       -1.3954233110
O             0.4459179470       -0.1389173318        2.5799683470
H             1.0959999570       -0.2095113729        3.2784609800
H             0.5892996252        0.7255743573        2.1619320780
O             0.5378028594       -1.8848378570        0.2896507104
H            -0.3793320843       -2.0058818080        0.0312241798
H             0.4954587623       -1.4500719940        1.1510364830
O            -2.1963389690        0.6784092462        1.5012255970
H            -1.5937231350        1.4115871510        1.3201784300
H            -1.7051540260        0.1676709643        2.1517991070
    18
 Energy=    -45.4441801119762
O            -2.1237631790       -0.6919479840       -0.9052028567
H            -2.9504850000       -0.7656063691       -1.3812785480
H            -2.3258577830       -0.2447411995       -0.0634177289
O             0.2372439580        2.0709115000        0.9089642948
H             0.3705942134        1.5874460440        0.0573884340
H             0.5869930954        2.9531949890        0.7890868567
O             0.4405914483        0.4778449628       -1.2062039370
H             0.7733885745       -0.3363544366       -0.7930818790
H            -0.4786965352        0.2289290313       -1.3858032500
O             0.4437653150       -0.1368964974        2.5739653120
H             1.0871570960       -0.2046063497        3.2765270460
H             0.5899595609        0.7251022439        2.1506253650
O             0.5656506429       -1.8915792270        0.2912483421
H            -0.3485837740       -2.0504448360        0.0415087258
H             0.5169263853       -1.4577090200        1.1533267670
O            -2.2015504860        0.6884268123        1.4995110420
H            -1.5980569940        1.4227403110        1.3224920880
H            -1.7149285390        0.1683030250        2.1484339270
    18
 Energy=    -45.4008752372897
O            -2.1438727410       -0.6738489192       -0.9188700429
H            -2.9753649950       -0.7455936907       -1.3868803020
H            -2.3380339400       -0.2265759423       -0.0755102898
O             0.2418229148        2.0731611710        0.9131184151
H             0.3643081907        1.5856632150        0.0633849522
H             0.6118335382        2.9469202800        0.7880336988
O             0.4273995664        0.4756165591       -1.2090559890
H             0.7570815637       -0.3418716078       -0.8008433277
H            -0.4931882670        0.2339916019       -1.3915058090
O             0.4402190266       -0.1315001120        2.5808321240
H             1.0745331600       -0.1914893763        3.2940477050
H             0.5948059058        0.7244942395        2.1485593580
O             0.6012437823       -1.8978688600        0.2964573963
H            -0.3106524357       -2.0976758970        0.0582781352
H             0.5412284476       -1.4553727010        1.1547844890
O            -2.2058195060        0.6842415628        1.4995817240
H            -1.6038938520        1.4199314800        1.3221428690
H            -1.7133023580        0.1607899972        2.1415348930
    18
 Energy=    -45.3666860777123
O            -2.1661217130       -0.6540851597       -0.9229323801
H            -3.0039342840       -0.7189472502       -1.3802920500
H            -2.3489611140       -0.2053287813       -0.0780576080
O             0.2491525493        2.0677451400        0.9119695890
H             0.3599613282        1.5783927400        0.0621494909
H             0.6434159701        2.9303713490        0.7868490210
O             0.4095675120        0.4753290458       -1.2162027980
H             0.7439907872       -0.3447166924       -0.8182823707
H            -0.5103873751        0.2360586002       -1.4009258940
O             0.4244985317       -0.1325214022        2.5837548590
H             1.0406823240       -0.1826688669        3.3143743000
H             0.5886523120        0.7189802063        2.1456962730
O             0.6519060119       -1.8932140050        0.3006881026
H            -0.2456218740       -2.1519731340        0.0720795089
H             0.5690851434       -1.4494451090        1.1565619680
O            -2.2122310390        0.6867479845        1.5023485480
H            -1.6099244640        1.4205880330        1.3206209800
H            -1.7133826060        0.1617003017        2.1376904590
    18
 Energy=    -45.3374642718779
O            -2.1848395440       -0.6381451740       -0.9239995776
H            -3.0277487920       -0.6934977133       -1.3725758490
H            -2.3577725810       -0.1889695602       -0.0772355223
O             0.2570225378        2.0594338810        0.9078325530
H             0.3582469646        1.5697855600        0.0567151716
H             0.6709248719        2.9127463460        0.7851603953
O             0.3922453786        0.4763830185       -1.2233272990
H             0.7345940490       -0.3459087791       -0.8372713463
H            -0.5256498213        0.2363567617       -1.4133101160
O             0.4085360291       -0.1366557417        2.5865406720
H             1.0057365220       -0.1757445967        3.3346127350
H             0.5789948858        0.7124012781        2.1452475020
O             0.6944778085       -1.8817246970        0.3052929560
H            -0.1874114878       -2.1916898590        0.0831659222
H             0.5915568815       -1.4411701870        1.1608095330
O            -2.2149711410        0.6866837005        1.5053373980
H            -1.6139563460        1.4198797760        1.3193128770
H            -1.7096382160        0.1628489861        2.1357819950
    18
 Energy=    -45.3251552958436
O            -2.1935282310       -0.6298472626       -0.9244485921
H            -3.0385405090       -0.6808988569       -1.3702597800
H            -2.3616601100       -0.1848647446       -0.0735060248
O             0.2627365137        2.0516427470        0.9040681085
H             0.3591137148        1.5619918470        0.0512645872
H             0.6822439506        2.9023731830        0.7832616695
O             0.3832308386        0.4796940638       -1.2264163760
H             0.7315461649       -0.3434547373       -0.8471234210
H            -0.5327603176        0.2359784429       -1.4212249990
O             0.4045712773       -0.1393321145        2.5880516820
H             0.9871640004       -0.1716672160        3.3472886460
H             0.5742710662        0.7107496082        2.1475802360
O             0.7123683087       -1.8760464790        0.3087445605
H            -0.1643674164       -2.2040059790        0.0877198021
H             0.6022833287       -1.4349067160        1.1639333640
O            -2.2142498570        0.6842155354        1.5043812820
H            -1.6163038630        1.4201759750        1.3203915500
H            -1.7077708610        0.1612157044        2.1343837060
    18
 Energy=    -45.3163517954477
O            -2.1981548930       -0.6238996963       -0.9205213733
H            -3.0462870300       -0.6760766091       -1.3601167330
H            -2.3610458410       -0.1825061151       -0.0667009070
O             0.2654206588        2.0464545310        0.9014598896
H             0.3603838959        1.5582126110        0.0468463413
H             0.6890807283        2.8956967840        0.7844187582
O             0.3795541250        0.4821922033       -1.2288576840
H             0.7325467617       -0.3397020924       -0.8510502919
H            -0.5361593160        0.2358581187       -1.4205412190
O             0.3953717091       -0.1427291853        2.5811859550
H             0.9711112617       -0.1749474056        3.3466079440
H             0.5676463383        0.7081516151        2.1433533130
O             0.7297749334       -1.8735960050        0.3094111794
H            -0.1367547563       -2.2226870310        0.0867657554
H             0.6083762357       -1.4357603290        1.1645215100
O            -2.2178678000        0.6927678450        1.5044199050
H            -1.6185030500        1.4269688350        1.3211213420
H            -1.7141459610        0.1686149250        2.1357663150
    18
 Energy=    -45.3037774860344
O            -2.2068772330       -0.6157470572       -0.9228092262
H            -3.0614171860       -0.6636411057       -1.3503402020
H            -2.3591883740       -0.1837213877       -0.0623237782
O             0.2691986481        2.0365789090        0.8997095604
H             0.3616022641        1.5515251890        0.0424105393
H             0.6992338689        2.8830128410        0.7878874663
O             0.3755378058        0.4840995715       -1.2349234020
H             0.7284042708       -0.3365667273       -0.8537995201
H            -0.5416127117        0.2389020945       -1.4236245780
O             0.3894767516       -0.1436877507        2.5784950680
H             0.9508194262       -0.1693239868        3.3534689110
H             0.5627326837        0.7074031068        2.1402542480
O             0.7482858998       -1.8681611480        0.3088814767
H            -0.1114875869       -2.2384538630        0.0925130496
H             0.6223274743       -1.4332028740        1.1652159100
O            -2.2205452120        0.6960389736        1.5037922390
H            -1.6186947250        1.4282003160        1.3191865340
H            -1.7174480650        0.1697578975        2.1340957040
    18
 Energy=    -45.2947986156043
O            -2.2110042050       -0.6120506853       -0.9229215295
H            -3.0692862360       -0.6580468105       -1.3429846650
H            -2.3571647710       -0.1841218281       -0.0595818952
O             0.2707259018        2.0317390630        0.8991434688
H             0.3621152441        1.5489740720        0.0404067607
H             0.7042202976        2.8767592720        0.7901360088
O             0.3745126867        0.4841704989       -1.2384475670
H             0.7271131608       -0.3349889696       -0.8544972521
H            -0.5440584146        0.2405247580       -1.4231767140
O             0.3842811722       -0.1448505033        2.5754107950
H             0.9396214738       -0.1676752181        3.3548599240
H             0.5590680155        0.7057004511        2.1364832530
O             0.7584793650       -1.8643986360        0.3075431522
H            -0.0953178555       -2.2485597960        0.0947233043
H             0.6294755211       -1.4332182460        1.1650483570
O            -2.2230385500        0.7001623992        1.5040790670
H            -1.6187221380        1.4301097230        1.3177686540
H            -1.7206726700        0.1727834567        2.1340968780
    18
 Energy=    -45.2884302780127
O            -2.2141619750       -0.6100147260       -0.9245373608
H            -3.0751954870       -0.6529320937       -1.3390944620
H            -2.3557637110       -0.1848019253       -0.0593470431
O             0.2714580536        2.0281333280        0.8993652372
H             0.3619627308        1.5468982520        0.0399144766
H             0.7077392568        2.8719555690        0.7919057988
O             0.3742547627        0.4832427913       -1.2421961980
H             0.7248292892       -0.3349134965       -0.8547124810
H            -0.5456184937        0.2418815694       -1.4229808460
O             0.3819824534       -0.1448087595        2.5751761660
H             0.9325010302       -0.1642067855        3.3578848880
H             0.5577046982        0.7047578187        2.1345458440
O             0.7640710823       -1.8608082410        0.3056349618
H            -0.0876976045       -2.2523138900        0.0977898980
H             0.6361940703       -1.4325846990        1.1647253360
O            -2.2244260240        0.7013981116        1.5046806490
H            -1.6180702090        1.4292640000        1.3159081010
H            -1.7214159230        0.1728661765        2.1334270350
    18
 Energy=    -45.2821444381071
O            -2.2164140510       -0.6089027928       -0.9244430435
H            -3.0797439970       -0.6481435635       -1.3350208560
H            -2.3551097760       -0.1842624496       -0.0590216880
O             0.2714749358        2.0254373400        0.8992497331
H             0.3614458312        1.5459402730        0.0390529356
H             0.7109247674        2.8679014520        0.7942242558
O             0.3740111407        0.4812306060       -1.2452505570
H             0.7227769405       -0.3362716192       -0.8552224200
H            -0.5470745258        0.2422381140       -1.4233069060
O             0.3783442611       -0.1463649250        2.5749310430
H             0.9252266200       -0.1612794619        3.3602985230
H             0.5544283298        0.7018323434        2.1316978230
O             0.7702184413       -1.8566634070        0.3032578274
H            -0.0793894477       -2.2548799220        0.1000378636
H             0.6435268313       -1.4319838730        1.1638624370
O            -2.2255982800        0.7035185818        1.5060146710
H            -1.6168741480        1.4287876160        1.3137183030
H            -1.7218258730        0.1748786868        2.1340100540
    18
 Energy=    -45.2726607334041
O            -2.2226244520       -0.6061174533       -0.9229717920
H            -3.0859647380       -0.6367149529       -1.3334115840
H            -2.3561995180       -0.1808285370       -0.0562948786
O             0.2736425417        2.0181949610        0.8967976917
H             0.3604225577        1.5408624530        0.0354703447
H             0.7183876696        2.8579742730        0.7934581331
O             0.3696809659        0.4781413939       -1.2533240480
H             0.7197336175       -0.3387168104       -0.8632001218
H            -0.5517210052        0.2390727331       -1.4268415050
O             0.3714223753       -0.1506212964        2.5795590560
H             0.9075325685       -0.1558461772        3.3722436980
H             0.5483898081        0.6953454408        2.1325734970
O             0.7821726855       -1.8443000810        0.2999897968
H            -0.0636121228       -2.2531466090        0.1039354419
H             0.6575222781       -1.4261803580        1.1638603940
O            -2.2255018840        0.7038148494        1.5100552940
H            -1.6156996880        1.4266916700        1.3115079130
H            -1.7172356600        0.1753875011        2.1346826680
    18
 Energy=    -45.2452911912437
O            -2.2260687670       -0.6015598370       -0.9039811073
H            -3.0847844950       -0.6250256721       -1.3248876610
H            -2.3634661870       -0.1687756357       -0.0412392227
O             0.2743813455        2.0109326150        0.8891591623
H             0.3612385498        1.5334890230        0.0265904377
H             0.7281729895        2.8467864240        0.7915786695
O             0.3605280987        0.4735303017       -1.2616975710
H             0.7224313989       -0.3425614942       -0.8787468327
H            -0.5594470795        0.2252955604       -1.4331105870
O             0.3557383255       -0.1682405451        2.5784388100
H             0.8751729214       -0.1603309338        3.3818945140
H             0.5250695790        0.6797210723        2.1326276830
O             0.8120504918       -1.8305776770        0.2956506219
H            -0.0238556763       -2.2577442880        0.0965341577
H             0.6762006693       -1.4172161890        1.1603649710
O            -2.2267256290        0.7172085105        1.5157135100
H            -1.6168160890        1.4373895410        1.3102353400
H            -1.7194724480        0.1906922236        2.1429651050
    18
 Energy=    -45.2251748291550
O            -2.2229199850       -0.5989973232       -0.8866433682
H            -3.0754603470       -0.6274327826       -1.3193285720
H            -2.3700002870       -0.1616044256       -0.0280270102
O             0.2747513919        2.0065048170        0.8839173441
H             0.3595669902        1.5314619560        0.0205565799
H             0.7288175790        2.8421559370        0.7857607462
O             0.3573240052        0.4714997693       -1.2739888620
H             0.7312500701       -0.3362641172       -0.8857139181
H            -0.5646813643        0.2148127771       -1.4274142750
O             0.3387531232       -0.1760797679        2.5744097660
H             0.8559636079       -0.1763186725        3.3795003580
H             0.5156542366        0.6720577112        2.1329670690
O             0.8342012018       -1.8346959020        0.2959820308
H             0.0025345625       -2.2642796610        0.0832308695
H             0.6803025829       -1.4159972750        1.1552829710
O            -2.2303419740        0.7357833493        1.5224071020
H            -1.6197476600        1.4549087290        1.3157770160
H            -1.7256197340        0.2054978793        2.1494141530
    18
 Energy=    -45.2133205120865
O            -2.2206896050       -0.5985163891       -0.8771979722
H            -3.0700592980       -0.6286138455       -1.3157855020
H            -2.3741264800       -0.1568285231       -0.0220181975
O             0.2759446056        2.0023931810        0.8807357189
H             0.3569461096        1.5289465340        0.0167696532
H             0.7287568758        2.8382833660        0.7802975194
O             0.3552090939        0.4702075039       -1.2809099470
H             0.7382995723       -0.3322411710       -0.8924166253
H            -0.5672875475        0.2085799434       -1.4202463510
O             0.3270047363       -0.1789885484        2.5738837270
H             0.8432865564       -0.1860864777        3.3795871780
H             0.5142625265        0.6678846870        2.1329416070
O             0.8470307257       -1.8360155180        0.2938550501
H             0.0178518963       -2.2668561650        0.0755923628
H             0.6850100851       -1.4169040320        1.1522237400
O            -2.2356761610        0.7484120468        1.5284882480
H            -1.6219217140        1.4644494010        1.3208004280
H            -1.7294939770        0.2149070074        2.1514893640
    18
 Energy=    -45.1885966601311
O            -2.2185192590       -0.5991177352       -0.8718301212
H            -3.0665512140       -0.6278347575       -1.3140537490
H            -2.3777743050       -0.1532396619       -0.0192037338
O             0.2799234327        1.9964215810        0.8780222366
H             0.3512617244        1.5250878120        0.0090741576
H             0.7297446932        2.8340003210        0.7738153635
O             0.3519738444        0.4710464103       -1.2853442410
H             0.7452634667       -0.3296749261       -0.9029376378
H            -0.5699604326        0.2029846779       -1.4133182930
O             0.3149750649       -0.1788651564        2.5762820450
H             0.8298500292       -0.1946755458        3.3835685960
H             0.5158916868        0.6639305642        2.1343605460
O             0.8590356321       -1.8345822370        0.2926446908
H             0.0309303080       -2.2656267110        0.0705180675
H             0.6894912366       -1.4184145480        1.1503315950
O            -2.2441147430        0.7602597479        1.5395771050
H            -1.6224930950        1.4685192470        1.3268574840
H            -1.7285800690        0.2227939168        2.1497258890
    18
 Energy=    -45.1832867509569
O            -2.2169279780       -0.5999087952       -0.8649104120
H            -3.0630640040       -0.6309694327       -1.3096829100
H            -2.3774837340       -0.1492422908       -0.0159146473
O             0.2795878851        1.9963777680        0.8752025693
H             0.3512484460        1.5227463380        0.0110814014
H             0.7283520979        2.8331454370        0.7703195626
O             0.3517099994        0.4708445581       -1.2828968670
H             0.7522374319       -0.3290078555       -0.9077827489
H            -0.5696451901        0.1989606326       -1.4056607970
O             0.3106838470       -0.1815059647        2.5728668840
H             0.8248561977       -0.2003221093        3.3805385410
H             0.5162558396        0.6615340808        2.1326731600
O             0.8642036727       -1.8338075510        0.2883355102
H             0.0394872244       -2.2702493230        0.0640823176
H             0.6925267618       -1.4221273790        1.1479332290
O            -2.2511819990        0.7714276813        1.5431392820
H            -1.6255964080        1.4759958610        1.3277774020
H            -1.7369020900        0.2291213457        2.1509885250
    18
 Energy=    -45.1726183833158
O            -2.2146387740       -0.6010621702       -0.8563539716
H            -3.0590230550       -0.6352749111       -1.3039605050
H            -2.3770687620       -0.1440953449       -0.0114132716
O             0.2784654545        1.9968434470        0.8756334383
H             0.3519621753        1.5195005450        0.0118949009
H             0.7271462224        2.8339525860        0.7654209072
O             0.3523866946        0.4710181553       -1.2806595110
H             0.7608296711       -0.3284981765       -0.9125402707
H            -0.5692971810        0.1944732252       -1.3962077300
O             0.3065605291       -0.1844980425        2.5680923090
H             0.8201319072       -0.2074822521        3.3755674830
H             0.5160425057        0.6589135421        2.1308390240
O             0.8693635043       -1.8325744130        0.2837349155
H             0.0496609534       -2.2771566930        0.0562134037
H             0.6937797573       -1.4262666760        1.1447619100
O            -2.2578217810        0.7832350375        1.5452784320
H            -1.6303674010        1.4855165920        1.3286655000
H            -1.7477644210        0.2364685499        2.1531230360
    18
 Energy=    -45.1519270681663
O            -2.2125235260       -0.6022007981       -0.8490462003
H            -3.0566342660       -0.6389948922       -1.2989742930
H            -2.3779459640       -0.1382919284       -0.0074892244
O             0.2779995845        1.9975424380        0.8760649080
H             0.3547050976        1.5160618590        0.0156906487
H             0.7259335891        2.8346385140        0.7583753426
O             0.3537260037        0.4705053787       -1.2833746200
H             0.7683482438       -0.3258144767       -0.9164969415
H            -0.5683175230        0.1910158007       -1.3853158340
O             0.3034565960       -0.1861633989        2.5642701020
H             0.8165869815       -0.2154184376        3.3719315550
H             0.5168224566        0.6572677539        2.1286180040
O             0.8708751765       -1.8269191160        0.2794204879
H             0.0583691601       -2.2842731990        0.0507835559
H             0.6918508848       -1.4299739240        1.1440490460
O            -2.2594152530        0.7869216185        1.5405401020
H            -1.6368042520        1.4946969010        1.3323167580
H            -1.7566849910        0.2424129077        2.1567266040
    18
 Energy=    -45.1368952158266
O            -2.2117406280       -0.6026430849       -0.8480937922
H            -3.0567561880       -0.6394697081       -1.2983400870
H            -2.3785731960       -0.1366317288       -0.0064293986
O             0.2781546086        1.9976823090        0.8761876292
H             0.3557133731        1.5148122940        0.0169307394
H             0.7258901501        2.8345782140        0.7560537425
O             0.3538862593        0.4702559620       -1.2853515300
H             0.7698203618       -0.3246333172       -0.9177947902
H            -0.5680158909        0.1903155710       -1.3825828540
O             0.3030289281       -0.1860720198        2.5636229000
H             0.8157559104       -0.2174539628        3.3720542500
H             0.5174125370        0.6574153080        2.1286595260
O             0.8704432713       -1.8242601260        0.2786189512
H             0.0601807852       -2.2855502260        0.0502515739
H             0.6904016898       -1.4307192450        1.1445380740
O            -2.2588357990        0.7859926162        1.5383315250
H            -1.6386340530        1.4961623990        1.3339353620
H            -1.7577841200        0.2432317438        2.1574981790
    18
 Energy=    -45.1210960674246
O            -2.2125655320       -0.6015085014       -0.8376312372
H            -3.0515755110       -0.6390204907       -1.2933786150
H            -2.3810396350       -0.1308702211       -0.0021552153
O             0.2758385919        1.9962879460        0.8778127417
H             0.3562863202        1.5063336200        0.0215569674
H             0.7248389598        2.8308752660        0.7521513966
O             0.3544607188        0.4682561441       -1.2853770370
H             0.7750292650       -0.3261051288       -0.9209720684
H            -0.5677283127        0.1849650638       -1.3748103000
O             0.3077457074       -0.1894821426        2.5610705130
H             0.8093144420       -0.2154430782        3.3764978130
H             0.5187639136        0.6570133851        2.1305288590
O             0.8787324920       -1.8287535800        0.2683581937
H             0.0648410259       -2.2867082600        0.0451742312
H             0.7018646136       -1.4309711160        1.1334860440
O            -2.2685539570        0.7939835777        1.5337350540
H            -1.6432835210        1.5030206160        1.3357313290
H            -1.7726215820        0.2511399001        2.1563113310
    18
 Energy=    -45.0985056936399
O            -2.2115747260       -0.6006127630       -0.8297005431
H            -3.0481411370       -0.6358493272       -1.2909074110
H            -2.3839311210       -0.1254847676        0.0040988891
O             0.2747458507        1.9927556710        0.8788067378
H             0.3552616023        1.4963597890        0.0261236696
H             0.7251204546        2.8252272100        0.7485505832
O             0.3533045584        0.4663573157       -1.2833391310
H             0.7789294998       -0.3284053991       -0.9256692152
H            -0.5686413292        0.1793754189       -1.3711993000
O             0.3163536259       -0.1926825601        2.5608492210
H             0.8025717110       -0.2092528764        3.3853119900
H             0.5202701339        0.6586168560        2.1373837380
O             0.8876369544       -1.8367039370        0.2594828444
H             0.0678957442       -2.2849239130        0.0399002372
H             0.7148925810       -1.4270165900        1.1192212970
O            -2.2803609670        0.8039678587        1.5332361450
H            -1.6472922540        1.5063733490        1.3345196910
H            -1.7866931820        0.2549116649        2.1514205560
    18
 Energy=    -45.0800336563290
O            -2.2116958450       -0.5993674525       -0.8275784911
H            -3.0472546520       -0.6331518110       -1.2912399410
H            -2.3846798520       -0.1250001345        0.0056550176
O             0.2738900286        1.9898828730        0.8785728237
H             0.3551930886        1.4915150530        0.0280493488
H             0.7263949449        2.8227842900        0.7470687239
O             0.3516606381        0.4663661406       -1.2814918110
H             0.7797337766       -0.3293608284       -0.9278525700
H            -0.5701378319        0.1769406380       -1.3724404220
O             0.3209007433       -0.1940270312        2.5627826160
H             0.7999341862       -0.2043168998        3.3907989910
H             0.5215854618        0.6596254872        2.1419492210
O             0.8908291644       -1.8412984370        0.2572029361
H             0.0676908780       -2.2825538530        0.0379537351
H             0.7212637100       -1.4229904820        1.1128669430
O            -2.2857204590        0.8087961145        1.5356461910
H            -1.6482630980        1.5058413000        1.3323339180
H            -1.7909768830        0.2533280330        2.1478127700
    18
 Energy=    -45.0535903849538
O            -2.2115524800       -0.5985340339       -0.8271980104
H            -3.0477119200       -0.6314017002       -1.2922003880
H            -2.3849439350       -0.1253849191        0.0057923777
O             0.2736525072        1.9873100910        0.8781887632
H             0.3554840256        1.4890501970        0.0292032248
H             0.7278747528        2.8223963940        0.7453920311
O             0.3505546177        0.4669174279       -1.2811495020
H             0.7799358642       -0.3291676802       -0.9293168553
H            -0.5712603753        0.1759063563       -1.3735956270
O             0.3231221598       -0.1943176997        2.5647771420
H             0.7989266808       -0.2019106312        3.3940867310
H             0.5226374983        0.6603386266        2.1447284570
O             0.8910417592       -1.8425919020        0.2570786791
H             0.0675089763       -2.2811106750        0.0374574743
H             0.7229331551       -1.4200389020        1.1107966850
O            -2.2875085560        0.8098571032        1.5369086770
H            -1.6488966270        1.5046616560        1.3313909070
H            -1.7914501030        0.2510332908        2.1457492340
    18
 Energy=    -45.0389473813217
O            -2.2052740840       -0.6016005128       -0.8128472229
H            -3.0390302030       -0.6403342008       -1.2790158900
H            -2.3844075790       -0.1182811287        0.0159742687
O             0.2731832258        1.9920664860        0.8823566226
H             0.3496056744        1.4945555680        0.0291261599
H             0.7215669047        2.8245972380        0.7501239395
O             0.3553063906        0.4633024582       -1.2700366480
H             0.7868104380       -0.3347314719       -0.9260979516
H            -0.5654375556        0.1731868903       -1.3642535340
O             0.3244464882       -0.2027337352        2.5497743550
H             0.7989225565       -0.2088295904        3.3800585520
H             0.5111246101        0.6580222907        2.1371780900
O             0.9039563998       -1.8577507400        0.2494125222
H             0.0795700319       -2.2932377720        0.0244935933
H             0.7265268441       -1.4270243480        1.0973040820
O            -2.3003024060        0.8332468346        1.5372127200
H            -1.6515460200        1.5180975040        1.3277549990
H            -1.8146737180        0.2704612287        2.1495713430
    18
 Energy=    -45.0161132166519
O            -2.1998185430       -0.6039250422       -0.8002308674
H            -3.0327060110       -0.6493240344       -1.2682952730
H            -2.3831651960       -0.1134623515        0.0222279132
O             0.2714594934        1.9944709510        0.8849043805
H             0.3450487224        1.5022356160        0.0292774368
H             0.7171261094        2.8302594640        0.7546508580
O             0.3602047186        0.4604330630       -1.2620949260
H             0.7920849344       -0.3388113799       -0.9221711826
H            -0.5600615050        0.1721054443       -1.3560034540
O             0.3223505082       -0.2085828556        2.5363375940
H             0.8003756687       -0.2172330318        3.3650093220
H             0.5015144123        0.6556769260        2.1291893520
O             0.9124570678       -1.8677326010        0.2441888765
H             0.0901651916       -2.3047062950        0.0148100172
H             0.7255304216       -1.4349886360        1.0895256500
O            -2.3077486200        0.8501956256        1.5357708520
H            -1.6533505150        1.5291178870        1.3261867610
H            -1.8311188570        0.2872842503        2.1548066910
    18
 Energy=    -45.0096403587008
O            -2.1986719350       -0.6046814578       -0.7978024279
H            -3.0315437160       -0.6514936200       -1.2660373120
H            -2.3829212200       -0.1122442237        0.0235420858
O             0.2715714772        1.9952164040        0.8856462003
H             0.3437144115        1.5043996170        0.0288735637
H             0.7158932327        2.8315665630        0.7557364682
O             0.3615098062        0.4597065828       -1.2605744940
H             0.7931929754       -0.3396834514       -0.9211350710
H            -0.5586511067        0.1723050463       -1.3538965230
O             0.3213711101       -0.2098447891        2.5332976110
H             0.8008465904       -0.2192260975        3.3611573880
H             0.4994692745        0.6548951829        2.1270814990
O             0.9140988002       -1.8693837400        0.2430282832
H             0.0923475064       -2.3072723120        0.0131277707
H             0.7248821884       -1.4371430920        1.0885074030
O            -2.3087869090        0.8529783826        1.5349228730
H            -1.6536786460        1.5316807470        1.3262349280
H            -1.8342958390        0.2912372592        2.1563797530
    18
 Energy=    -44.9741956036894
O            -2.2025677650       -0.6037959327       -0.8020467233
H            -3.0360144830       -0.6451977215       -1.2726378920
H            -2.3857953940       -0.1118002276        0.0199788862
O             0.2746506340        1.9885036230        0.8867227010
H             0.3390918310        1.5023535110        0.0265011952
H             0.7165417377        2.8271093260        0.7556581605
O             0.3606332187        0.4580717076       -1.2621819880
H             0.7899784736       -0.3427669480       -0.9229865726
H            -0.5598821924        0.1746683920       -1.3555007380
O             0.3269511038       -0.2092262115        2.5371216170
H             0.7965153273       -0.2090966692        3.3742655150
H             0.5031159088        0.6543823631        2.1277617210
O             0.9160124260       -1.8674915030        0.2392493051
H             0.0816245368       -2.2963931180        0.0198992939
H             0.7403080185       -1.4361384790        1.0910464120
O            -2.3067885540        0.8451865324        1.5320186540
H            -1.6525811960        1.5287021890        1.3272330760
H            -1.8314456310        0.2859421667        2.1559873770
    18
 Energy=    -44.9646811790687
O            -2.1908128330       -0.6069045550       -0.7834250866
H            -3.0218081090       -0.6616680200       -1.2528428040
H            -2.3820313340       -0.1078540437        0.0313778513
O             0.2571795684        2.0035832800        0.8857029676
H             0.3469914657        1.5105403180        0.0329252091
H             0.7117266797        2.8358934450        0.7666439180
O             0.3656303371        0.4560352183       -1.2521182410
H             0.7963669200       -0.3452078450       -0.9145420182
H            -0.5544897354        0.1663173128       -1.3490102660
O             0.3194802604       -0.2109503462        2.5200334020
H             0.8017728866       -0.2338460581        3.3453381350
H             0.4881276627        0.6569063089        2.1146755190
O             0.9240498538       -1.8840650290        0.2362812262
H             0.1043354688       -2.3213505880       -0.0018177222
H             0.7295559604       -1.4477389510        1.0777048730
O            -2.3180308030        0.8797685750        1.5396319650
H            -1.6527075810        1.5427003100        1.3214696100
H            -1.8549886680        0.3108536673        2.1600614630
    18
 Energy=    -44.9259193829740
O            -2.1889535960       -0.6068262945       -0.7808430064
H            -3.0195519910       -0.6620422848       -1.2511661610
H            -2.3828428700       -0.1068023414        0.0337594613
O             0.2481850925        2.0059467320        0.8846137899
H             0.3506960890        1.5088498780        0.0356238502
H             0.7116171316        2.8346575840        0.7717725177
O             0.3651532300        0.4544278325       -1.2499077440
H             0.7954150536       -0.3479836632       -0.9126846750
H            -0.5551173497        0.1626180893       -1.3505576030
O             0.3220386054       -0.2105260167        2.5173140390
H             0.7998759430       -0.2344740454        3.3468123390
H             0.4863313478        0.6588006936        2.1118892900
O             0.9282656708       -1.8903293370        0.2324034895
H             0.1042208712       -2.3215558340       -0.0060506029
H             0.7399467962       -1.4500689800        1.0738032330
O            -2.3235122800        0.8897002249        1.5432817830
H            -1.6501159180        1.5446266940        1.3183726410
H            -1.8613038260        0.3139940680        2.1596533580
    18
 Energy=    -44.8719058801247
O            -2.1839648360       -0.6079379374       -0.7740565274
H            -3.0136409810       -0.6687973432       -1.2438229260
H            -2.3806377640       -0.1056546735        0.0391957807
O             0.2391540961        2.0131334260        0.8828853701
H             0.3561786397        1.5105979300        0.0393462622
H             0.7107906416        2.8385805700        0.7763038563
O             0.3660696096        0.4536676419       -1.2469194410
H             0.7979898289       -0.3477085452       -0.9095524189
H            -0.5536774492        0.1585503056       -1.3494151050
O             0.3174733381       -0.2112557460        2.5102156120
H             0.8025601822       -0.2437741089        3.3335518010
H             0.4821594861        0.6606223308        2.1110526360
O             0.9305991011       -1.8963309420        0.2318522525
H             0.1142240264       -2.3320454130       -0.0147992098
H             0.7322833837       -1.4540990330        1.0686198160
O            -2.3315633060        0.9034003541        1.5466390680
H            -1.6478259830        1.5505353860        1.3154209830
H            -1.8678240150        0.3215287982        2.1615721900
    18
 Energy=    -44.8128850235230
O            -2.1738193750       -0.6124599056       -0.7502183538
H            -3.0010258360       -0.6898700132       -1.2251047620
H            -2.3766599040       -0.0972950199        0.0512978033
O             0.2188487897        2.0285163600        0.8815432088
H             0.3584831261        1.5241787100        0.0423933963
H             0.7008220963        2.8493331370        0.7973714109
O             0.3749390267        0.4452041778       -1.2337615730
H             0.8043057982       -0.3552152227       -0.8940622949
H            -0.5440213961        0.1546880309       -1.3372139010
O             0.2992592202       -0.2209786214        2.4820961540
H             0.8065623352       -0.2581435843        3.2933604110
H             0.4717687596        0.6536745511        2.0948667540
O             0.9475931312       -1.9163117980        0.2181831605
H             0.1312516319       -2.3550662690       -0.0323015754
H             0.7382695180       -1.4777651500        1.0557997890
O            -2.3418024360        0.9398852935        1.5461525430
H            -1.6464371820        1.5696203720        1.3149093820
H            -1.8979893040        0.3610179518        2.1727784470
    18
 Energy=    -44.7780683757588
O            -2.1695955000       -0.6146389932       -0.7415612304
H            -2.9959784460       -0.6985496531       -1.2173718310
H            -2.3746489320       -0.0942372746        0.0560617906
O             0.2137537277        2.0342201770        0.8817806905
H             0.3585464320        1.5302484630        0.0427678378
H             0.6974987159        2.8546377730        0.8032862930
O             0.3786517448        0.4429135174       -1.2298324560
H             0.8075253170       -0.3569321973       -0.8892165346
H            -0.5400595216        0.1539035252       -1.3320276540
O             0.2913945413       -0.2237284255        2.4721263170
H             0.8094269049       -0.2664021974        3.2761412910
H             0.4673477894        0.6520772587        2.0902898650
O             0.9516351621       -1.9217261930        0.2154042013
H             0.1403194696       -2.3657851800       -0.0390705006
H             0.7329337620       -1.4857295430        1.0517169930
O            -2.3460559340        0.9510356590        1.5447783050
H            -1.6457621640        1.5775692670        1.3148892910
H            -1.9065850700        0.3741370167        2.1779273320
    18
 Energy=    -44.6837948180163
O            -2.1588008510       -0.6228471211       -0.7162505024
H            -2.9827981040       -0.7263600893       -1.1919012680
H            -2.3695974980       -0.0836981658        0.0674923352
O             0.2101926349        2.0464022880        0.8866482405
H             0.3496641316        1.5563737380        0.0389261584
H             0.6837248438        2.8740293620        0.8175433143
O             0.3948518251        0.4381761825       -1.2154534280
H             0.8188232104       -0.3635470452       -0.8727060250
H            -0.5250100643        0.1565955496       -1.3090070800
O             0.2683798321       -0.2344077798        2.4428543430
H             0.8187351863       -0.2942701605        3.2237362550
H             0.4483113011        0.6402539504        2.0603613130
O             0.9631991187       -1.9358530550        0.2075784701
H             0.1658210631       -2.3990496080       -0.0571770366
H             0.7196238546       -1.5114890380        1.0443123120
O            -2.3513081860        0.9769670020        1.5343816370
H            -1.6479683920        1.6060925380        1.3186997680
H            -1.9354959070        0.4196444515        2.1980511940
    18
 Energy=    -44.6361230200790
O            -2.1559891320       -0.6255478091       -0.7095762968
H            -2.9791367010       -0.7336167050       -1.1846706720
H            -2.3689260510       -0.0801934055        0.0702094534
O             0.2110032115        2.0488508910        0.8884571437
H             0.3453043225        1.5649665350        0.0375717369
H             0.6795401195        2.8788680260        0.8212545458
O             0.4015047875        0.4383462678       -1.2121141790
H             0.8217282948       -0.3671308343       -0.8684865077
H            -0.5220279223        0.1570767208       -1.3020887630
O             0.2643035672       -0.2358571008        2.4352077050
H             0.8211244944       -0.3047611239        3.2118507530
H             0.4408452565        0.6389504823        2.0491568950
O             0.9655211654       -1.9390982350        0.2062295429
H             0.1725841297       -2.4082339360       -0.0630013680
H             0.7169231650       -1.5185906240        1.0434772400
O            -2.3514387160        0.9835233688        1.5300859550
H            -1.6492777470        1.6139127030        1.3199015310
H            -1.9432382450        0.4315477786        2.2046252840
    18
 Energy=    -44.5557463577134
O            -2.1562437940       -0.6269651071       -0.7079932024
H            -2.9811025000       -0.7397464564       -1.1789625060
H            -2.3683151570       -0.0798290699        0.0706349720
O             0.2119534728        2.0500130490        0.8889701337
H             0.3458868396        1.5696859570        0.0358659008
H             0.6718601513        2.8849353590        0.8227153888
O             0.4051267209        0.4410323538       -1.1987013530
H             0.8247552899       -0.3652905592       -0.8567416339
H            -0.5177245518        0.1593788912       -1.2935677090
O             0.2541231631       -0.2485206019        2.4331149020
H             0.8224258626       -0.2965304389        3.2007769390
H             0.4390271364        0.6126834420        2.0213438830
O             0.9675803092       -1.9502533310        0.2041011624
H             0.1719578253       -2.4128355560       -0.0659636803
H             0.7410098810       -1.5206234260        1.0404683190
O            -2.3545186150        0.9927569731        1.5263292790
H            -1.6511694970        1.6248886780        1.3238284250
H            -1.9562845380        0.4482328430        2.2118707800
    18
 Energy=    -44.4899719331715
O            -2.1518080240       -0.6280891729       -0.7048320365
H            -2.9799999760       -0.7501126208       -1.1692686270
H            -2.3635183700       -0.0820350327        0.0737935228
O             0.2147421076        2.0568337010        0.8886564009
H             0.3514350248        1.5745354370        0.0375752003
H             0.6675369046        2.8956718680        0.8179282769
O             0.4066768921        0.4470618475       -1.1898467870
H             0.8321687991       -0.3577793282       -0.8487839064
H            -0.5141997553        0.1595477819       -1.2860386690
O             0.2450908735       -0.2597145704        2.4275306200
H             0.8287812920       -0.3024474160        3.1808108090
H             0.4319638003        0.5953332699        2.0044568820
O             0.9693208389       -1.9541090440        0.2073718424
H             0.1816871459       -2.4254917790       -0.0683489945
H             0.7272425387       -1.5235035820        1.0381023140
O            -2.3587400890        1.0012509270        1.5282627290
H            -1.6538183560        1.6349057130        1.3253523880
H            -1.9642136470        0.4611549994        2.2153680360
    18
 Energy=    -44.4418378069670
O            -2.1479647860       -0.6290738195       -0.7029787003
H            -2.9785045730       -0.7603655870       -1.1590718740
H            -2.3585174060       -0.0844722836        0.0770354074
O             0.2179481501        2.0646083010        0.8893033663
H             0.3576083476        1.5790273600        0.0393797515
H             0.6634346061        2.9068869070        0.8121649846
O             0.4086246293        0.4511399681       -1.1806612080
H             0.8389261016       -0.3479932410       -0.8420916513
H            -0.5107176299        0.1595139591       -1.2781694830
O             0.2394864567       -0.2724918586        2.4178697780
H             0.8356155500       -0.3091769688        3.1635051130
H             0.4218872706        0.5781715519        1.9868994620
O             0.9722727458       -1.9568857460        0.2100643126
H             0.1904476774       -2.4372329160       -0.0699877131
H             0.7124915016       -1.5276408800        1.0388007170
O            -2.3630106100        1.0135228650        1.5283206470
H            -1.6581117430        1.6433642720        1.3268601810
H            -1.9715682880        0.4721111163        2.2208469090
    18
 Energy=    -44.3995736771075
O            -2.1437135360       -0.6299334693       -0.7003635187
H            -2.9760828830       -0.7686283303       -1.1509447930
H            -2.3541980050       -0.0861507873        0.0801804714
O             0.2207147843        2.0712111970        0.8893509225
H             0.3619617872        1.5830145710        0.0416037437
H             0.6616510436        2.9153619420        0.8073483435
O             0.4087809333        0.4558548268       -1.1773569270
H             0.8452444635       -0.3424316214       -0.8386282816
H            -0.5079820979        0.1589336929       -1.2729835400
O             0.2355881822       -0.2800495486        2.4093411790
H             0.8421358203       -0.3193395044        3.1501250700
H             0.4133736422        0.5722917603        1.9790443570
O             0.9731130562       -1.9564767290        0.2143586971
H             0.2007547908       -2.4475325330       -0.0715907547
H             0.6906927051       -1.5315534080        1.0383479080
O            -2.3658412410        1.0201707170        1.5302580680
H            -1.6605784250        1.6492636440        1.3269123110
H            -1.9752670210        0.4790065808        2.2230867440
    18
 Energy=    -44.3414330757851
O            -2.1378192380       -0.6310126422       -0.6958828999
H            -2.9713697390       -0.7775486806       -1.1419132070
H            -2.3493431340       -0.0873005240        0.0841189321
O             0.2238211269        2.0789352090        0.8901152293
H             0.3653740132        1.5880389590        0.0441747231
H             0.6620007713        2.9242134350        0.8018897273
O             0.4109665616        0.4585179656       -1.1777332990
H             0.8509186930       -0.3357639216       -0.8397930661
H            -0.5062554048        0.1571864664       -1.2687670730
O             0.2342101817       -0.2837339517        2.3987450910
H             0.8500244706       -0.3380079691        3.1351467300
H             0.4022143535        0.5767743972        1.9794476000
O             0.9706898329       -1.9518248760        0.2231197407
H             0.2152300015       -2.4626719100       -0.0782578249
H             0.6562552381       -1.5344467330        1.0409144200
O            -2.3677829750        1.0247422770        1.5331317480
H            -1.6627802070        1.6536825660        1.3255995580
H            -1.9760065460        0.4832329330        2.2240338710
    18
 Energy=    -44.2513282578380
O            -2.1274044240       -0.6341129536       -0.6854278158
H            -2.9607540540       -0.7916742720       -1.1278100140
H            -2.3420423370       -0.0876181345        0.0916748202
O             0.2273367572        2.0903384140        0.8902050750
H             0.3685641876        1.5963952020        0.0466925196
H             0.6640269329        2.9357952740        0.7957334779
O             0.4137032110        0.4625036329       -1.1821567270
H             0.8595801200       -0.3278221755       -0.8436882680
H            -0.5023772521        0.1548977113       -1.2648100950
O             0.2231843111       -0.2765121553        2.3931957320
H             0.8617572856       -0.3721368632        3.1013208570
H             0.3932493230        0.5902800461        1.9939117890
O             0.9587283712       -1.9448916440        0.2398544204
H             0.2463298195       -2.4929085290       -0.0946657763
H             0.5918604899       -1.5325254270        1.0397017200
O            -2.3681958350        1.0278006340        1.5362116530
H            -1.6660976140        1.6583407900        1.3238544620
H            -1.9711012920        0.4868634475        2.2242921690
    18
 Energy=    -44.2326732768814
O            -2.1263268590       -0.6344056693       -0.6844171263
H            -2.9597185060       -0.7931239698       -1.1263561580
H            -2.3412869580       -0.0876796875        0.0924389926
O             0.2277352435        2.0915467720        0.8902328811
H             0.3689332026        1.5972546780        0.0469979914
H             0.6642077556        2.9370050530        0.7950485136
O             0.4135609720        0.4631227447       -1.1827139690
H             0.8606444882       -0.3272525774       -0.8439442167
H            -0.5017425257        0.1547315590       -1.2643351650
O             0.2224941380       -0.2758774847        2.3927012610
H             0.8627740865       -0.3756850687        3.0978086610
H             0.3920889957        0.5915848232        1.9951203350
O             0.9580063534       -1.9439900570        0.2414832752
H             0.2491224415       -2.4960891740       -0.0963056714
H             0.5852589413       -1.5324344980        1.0397754100
O            -2.3682240050        1.0285106480        1.5363050320
H            -1.6666119660        1.6586940000        1.3237088230
H            -1.9705677980        0.4871009085        2.2245411310
    18
 Energy=    -44.0750021163333
O            -2.1178401030       -0.6372562661       -0.6750334273
H            -2.9504136930       -0.8044421777       -1.1153029320
H            -2.3355858010       -0.0873310224        0.0988608807
O             0.2300351103        2.1004127510        0.8899415856
H             0.3707743784        1.6039277890        0.0483366566
H             0.6662980635        2.9456938730        0.7909936086
O             0.4164363684        0.4657460415       -1.1870706730
H             0.8670466110       -0.3210170640       -0.8480428696
H            -0.4987404873        0.1528583137       -1.2619454640
O             0.2092908802       -0.2689362363        2.3898965150
H             0.8728763368       -0.4024932870        3.0682940710
H             0.3885871164        0.6047476876        2.0117049640
O             0.9435410804       -1.9392199890        0.2577503601
H             0.2770672753       -2.5231702830       -0.1138535218
H             0.5331436092       -1.5272367490        1.0384530970
O            -2.3679964940        1.0292582880        1.5383604780
H            -1.6689844290        1.6618996810        1.3225450720
H            -1.9651878230        0.4895716504        2.2242015990
    18
 Energy=    -43.7579004838113
O            -2.1039533330       -0.6433703932       -0.6581708277
H            -2.9339692680       -0.8218093054       -1.0982980760
H            -2.3271814560       -0.0863488556        0.1099540271
O             0.2316554351        2.1123447190        0.8882999107
H             0.3726640074        1.6141044510        0.0486981051
H             0.6694264153        2.9564404900        0.7871979494
O             0.4193821843        0.4702966753       -1.1940058630
H             0.8769639373       -0.3135895366       -0.8524232526
H            -0.4925356704        0.1516258160       -1.2608401560
O             0.1791462440       -0.2478657300        2.4066618080
H             0.8854562917       -0.4475736266        3.0158731840
H             0.3925631671        0.6312246293        2.0367367770
O             0.9224197838       -1.9311469100        0.2819259257
H             0.3250311304       -2.5596872150       -0.1263700306
H             0.4427321521       -1.5268490610        1.0078398740
O            -2.3651646030        1.0284922050        1.5399276100
H            -1.6728332840        1.6658819970        1.3214791900
H            -1.9514551340        0.4908426532        2.2236038450
    18
 Energy=    -43.5814167402104
O            -2.1062917560       -0.6415778957       -0.6617307830
H            -2.9372518610       -0.8194659370       -1.1006643900
H            -2.3282697140       -0.0864797852        0.1078680158
O             0.2324153779        2.1117478040        0.8890371357
H             0.3727482172        1.6128199850        0.0494324446
H             0.6691572804        2.9563028550        0.7865881337
O             0.4192255831        0.4695616988       -1.1935668870
H             0.8757726158       -0.3139631178       -0.8530837500
H            -0.4938615898        0.1509250872       -1.2595811990
O             0.1823171538       -0.2573387995        2.3881195900
H             0.8905589773       -0.4403595045        3.0292792980
H             0.3886305642        0.6267217631        2.0364300120
O             0.9271170043       -1.9338543760        0.2768785906
H             0.3149784821       -2.5571068540       -0.1331560513
H             0.4583622318       -1.5220158360        1.0308690810
O            -2.3667175140        1.0296756340        1.5399169010
H            -1.6723545210        1.6656865970        1.3213143730
H            -1.9561885320        0.4917336822        2.2241394850
    18
 Energy=    -43.4811766933388
O            -2.0895197790       -0.6498783972       -0.6398107909
H            -2.9165346780       -0.8395752462       -1.0809221810
H            -2.3186805310       -0.0853613267        0.1213490617
O             0.2327067277        2.1238299750        0.8863091047
H             0.3742221600        1.6244722010        0.0484539217
H             0.6726797096        2.9666748510        0.7841656303
O             0.4247448171        0.4735327252       -1.2002992730
H             0.8859583591       -0.3046892220       -0.8571838549
H            -0.4872911145        0.1503604023       -1.2606072380
O             0.1485087788       -0.2129399001        2.4257399910
H             0.8965708062       -0.4947071607        2.9599947900
H             0.3973364512        0.6503680409        2.0669846260
O             0.9087794661       -1.9260714610        0.2972606221
H             0.3739976600       -2.5952956750       -0.1341950832
H             0.3409343501       -1.5257392100        0.9762756831
O            -2.3612359240        1.0254227170        1.5423994920
H            -1.6762718900        1.6703290300        1.3203852660
H            -1.9365573700        0.4922806569        2.2217902320
    18
 Energy=    -43.1865693158025
O            -2.0801045820       -0.6547288398       -0.6274177886
H            -2.9048344220       -0.8506092128       -1.0700069190
H            -2.3134777690       -0.0847702145        0.1289364101
O             0.2325731130        2.1301436990        0.8846698459
H             0.3749400497        1.6308944370        0.0476895303
H             0.6745466534        2.9719422310        0.7831579606
O             0.4278318574        0.4756951273       -1.2037862670
H             0.8914215107       -0.2997310390       -0.8590581321
H            -0.4835834750        0.1502822269       -1.2615952380
O             0.1293685255       -0.1864869465        2.4506958810
H             0.8989978023       -0.5260912891        2.9206778880
H             0.4027927149        0.6648038670        2.0828357620
O             0.9015720534       -1.9208486450        0.3085372691
H             0.4053505466       -2.6145163500       -0.1308588969
H             0.2740521296       -1.5307575320        0.9395616123
O            -2.3578084520        1.0227095920        1.5437438270
H            -1.6783671280        1.6728990490        1.3199010260
H            -1.9249231270        0.4921828388        2.2204062290
    18
 Energy=    -42.5155450541852
O            -2.0628892080       -0.6639862914       -0.6045112151
H            -2.8832949820       -0.8705333252       -1.0503047830
H            -2.3040908760       -0.0836595028        0.1429333056
O             0.2318829113        2.1410903330        0.8815833515
H             0.3761526819        1.6423649730        0.0459546465
H             0.6778518645        2.9809512930        0.7817640702
O             0.4332672422        0.4797874493       -1.2098508300
H             0.9012829729       -0.2911045482       -0.8617326351
H            -0.4767235925        0.1505255346       -1.2639905060
O             0.1017457608       -0.1397201644        2.5064932320
H             0.8938702096       -0.5793691662        2.8456957020
H             0.4139335586        0.6910441089        2.1076213690
O             0.8815322835       -1.9090365780        0.3332543613
H             0.4654521550       -2.6480678040       -0.1210623423
H             0.1563433088       -1.5436489050        0.8613132180
O            -2.3512856640        1.0174888250        1.5460768790
H            -1.6821524820        1.6773087060        1.3192178960
H            -1.9025301460        0.4915780630        2.2176342800
    18
 Energy=    -42.3159636608242
O            -2.0715385490       -0.6591712879       -0.6163423307
H            -2.8943208770       -0.8604672010       -1.0602108370
H            -2.3088851670       -0.0842420910        0.1358389202
O             0.2323436610        2.1357102620        0.8832275243
H             0.3755649607        1.6366687370        0.0469111535
H             0.6762074997        2.9765563100        0.7823182908
O             0.4304924908        0.4777522054       -1.2068582090
H             0.8963188044       -0.2954979658       -0.8606402151
H            -0.4801831048        0.1502672294       -1.2625931830
O             0.1055906605       -0.1607703970        2.4729976760
H             0.9067494073       -0.5589608719        2.8856415340
H             0.4084861128        0.6808846224        2.0972755620
O             0.8999041227       -1.9144446820        0.3194479710
H             0.4300162451       -2.6325228460       -0.1280155930
H             0.2126168580       -1.5360984030        0.9054301013
O            -2.3545854710        1.0202232690        1.5448713760
H            -1.6802024310        1.6752503480        1.3194298030
H            -1.9142272230        0.4918757633        2.2193604570
    18
 Energy=    -42.2594653082014
O            -2.0544310560       -0.6686744897       -0.5926934919
H            -2.8723316100       -0.8804708203       -1.0405122860
H            -2.2992482430       -0.0832382038        0.1498500939
O             0.2314582834        2.1463640980        0.8799095978
H             0.3766934000        1.6479833190        0.0450534374
H             0.6794444656        2.9852087680        0.7812655119
O             0.4361306659        0.4816555101       -1.2126242350
H             0.9060588698       -0.2865899653       -0.8628924838
H            -0.4733104693        0.1508168040       -1.2654361660
O             0.0949097703       -0.1114421865        2.5368869350
H             0.8854494334       -0.6034970751        2.8057919990
H             0.4177602938        0.6977047987        2.1208918740
O             0.8648267850       -1.9054022340        0.3456811945
H             0.4999524412       -2.6638967010       -0.1155362865
H             0.0998046680       -1.5488116540        0.8201322382
O            -2.3477343970        1.0145890980        1.5475336420
H            -1.6841077130        1.6792687420        1.3190163570
H            -1.8909775880        0.4914451914        2.2157720690
    18
 Energy=    -42.2314956863656
O            -2.0528838750       -0.6695374924       -0.5905510152
H            -2.8703406830       -0.8822790850       -1.0387321580
H            -2.2983762630       -0.0831470037        0.1511185065
O             0.2313751801        2.1473245260        0.8796090547
H             0.3767951817        1.6490040510        0.0448842561
H             0.6797364692        2.9859880720        0.7811731925
O             0.4366394606        0.4820082774       -1.2131446570
H             0.9069401748       -0.2857861410       -0.8630894105
H            -0.4726889435        0.1508699458       -1.2656972890
O             0.0942085025       -0.1070781551        2.5428297390
H             0.8832552130       -0.6073936907        2.7984601320
H             0.4185930416        0.6992038689        2.1229901110
O             0.8614670321       -1.9046051050        0.3480964149
H             0.5063561269       -2.6666522420       -0.1143445110
H             0.0897126232       -1.5500203610        0.8122871527
O            -2.3471148450        1.0140787930        1.5477755850
H            -1.6844616280        1.6796287340        1.3189815160
H            -1.8888647690        0.4914060063        2.2154433800
    18
 Energy=    -42.1856209115569
O            -2.0497994670       -0.6712624411       -0.5862756326
H            -2.8663687220       -0.8858844926       -1.0351847750
H            -2.2966345790       -0.0829652953        0.1536503622
O             0.2312071656        2.1492383180        0.8790092599
H             0.3769974161        1.6510360860        0.0445455393
H             0.6803188756        2.9875409930        0.7809909858
O             0.4376516694        0.4827139243       -1.2141802810
H             0.9086989327       -0.2841859353       -0.8634772754
H            -0.4714491721        0.1509795088       -1.2662223180
O             0.0931905884       -0.0985494053        2.5548876950
H             0.8784947813       -0.6149717609        2.7836581320
H             0.4202483660        0.7021802232        2.1271623260
O             0.8544560540       -1.9030837730        0.3529609569
H             0.5192437058       -2.6720512990       -0.1119261686
H             0.0697815082       -1.5524515910        0.7965341128
O            -2.3458814270        1.0130613290        1.5482574180
H            -1.6851674060        1.6803401470        1.3189152700
H            -1.8846402900        0.4913284640        2.2147843920
    18
 Energy=    -42.1678911894806
O            -2.0482623530       -0.6721245572       -0.5841421783
H            -2.8643873070       -0.8876825131       -1.0334174350
H            -2.2957635370       -0.0828748783        0.1549144962
O             0.2311227092        2.1501927530        0.8787095562
H             0.3770976750        1.6520475000        0.0443759193
H             0.6806096870        2.9883156380        0.7809008111
O             0.4381551146        0.4830675174       -1.2146954800
H             0.9095768550       -0.2833889878       -0.8636694991
H            -0.4708306145        0.1510357593       -1.2664861040
O             0.0928728736       -0.0943926035        2.5609964230
H             0.8759264009       -0.6186457325        2.7761834770
H             0.4210742886        0.7036566555        2.1292464240
O             0.8507830115       -1.9023742750        0.3554055622
H             0.5257441971       -2.6747141080       -0.1107213878
H             0.0599459060       -1.5536417080        0.7886542291
O            -2.3452689190        1.0125548140        1.5484976120
H            -1.6855191720        1.6806907510        1.3188841120
H            -1.8825288160        0.4912909751        2.2144534610
    18
 Energy=    -42.1290888338798
O            -2.0402549540       -0.6766501547       -0.5730085199
H            -2.8540528960       -0.8970672678       -1.0242253770
H            -2.2911850470       -0.0823943238        0.1615399039
O             0.2306758472        2.1551839930        0.8771406933
H             0.3776140714        1.6572971600        0.0434762261
H             0.6821381151        2.9923760470        0.7804324836
O             0.4407583332        0.4849497937       -1.2173809420
H             0.9141770354       -0.2792517507       -0.8646659174
H            -0.4676006249        0.1513428404       -1.2678781000
O             0.0936722827       -0.0746000460        2.5939700590
H             0.8598933543       -0.6360836147        2.7362079020
H             0.4255419840        0.7115029910        2.1400609510
O             0.8292063157       -1.8994454550        0.3682566000
H             0.5607285686       -2.6883536450       -0.1045700960
H             0.0099923651       -1.5593122450        0.7475498036
O            -2.3421442000        1.0099460910        1.5497328750
H            -1.6873469410        1.6824645060        1.3187466070
H            -1.8714656090        0.4911080804        2.2127048480
    18
 Energy=    -42.1210145002838
O            -2.0382071920       -0.6778206791       -0.5701733941
H            -2.8514194270       -0.8994661172       -1.0218887460
H            -2.2900080360       -0.0822619822        0.1632496301
O             0.2305588064        2.1564665790        0.8767357079
H             0.3777442294        1.6586312720        0.0432442302
H             0.6825320612        2.9934199130        0.7803123650
O             0.4414117950        0.4854477005       -1.2180711340
H             0.9153628826       -0.2782071754       -0.8649177856
H            -0.4667750419        0.1514243124       -1.2682368330
O             0.0941540722       -0.0702937195        2.6028009470
H             0.8553039354       -0.6401350017        2.7258190960
H             0.4269007030        0.7138430554        2.1426146120
O             0.8233294614       -1.8987801210        0.3715792241
H             0.5699261422       -2.6920838320       -0.1032312244
H            -0.0026567854       -1.5604287570        0.7372399963
O            -2.3413927330        1.0092955750        1.5500297580
H            -1.6878011000        1.6829072910        1.3187176040
H            -1.8686157730        0.4910546861        2.2122659480
    18
 Energy=    -42.1100629704720
O            -2.0343075150       -0.6801206213       -0.5648378630
H            -2.8464396080       -0.9039298879       -1.0174728720
H            -2.2877330060       -0.0822089853        0.1664330773
O             0.2301866186        2.1586980780        0.8760265361
H             0.3780402355        1.6610116540        0.0428700231
H             0.6831608986        2.9951736500        0.7802024470
O             0.4427567741        0.4862704069       -1.2195102350
H             0.9173601431       -0.2761723362       -0.8649088865
H            -0.4652122425        0.1517262171       -1.2689279160
O             0.0955760914       -0.0603705372        2.6176831380
H             0.8463858382       -0.6486573673        2.7071065470
H             0.4284551261        0.7176664531        2.1478221030
O             0.8145397395       -1.8964596890        0.3772898702
H             0.5841911931       -2.6963594620       -0.0976677237
H            -0.0257066103       -1.5658152280        0.7148238835
O            -2.3393394410        1.0076446260        1.5506205130
H            -1.6886547720        1.6838304220        1.3186867180
H            -1.8629114630        0.4910856061        2.2118506400
    18
 Energy=    -42.1221863331984
O            -2.0303324750       -0.6824661334       -0.5593950482
H            -2.8413597210       -0.9084807509       -1.0129686440
H            -2.2854106320       -0.0821602217        0.1696766277
O             0.2298046713        2.1609697920        0.8753062526
H             0.3783432408        1.6634353530        0.0424876347
H             0.6838005173        2.9969592290        0.7800921681
O             0.4441308632        0.4871071841       -1.2209804910
H             0.9193912337       -0.2740957188       -0.8648905615
H            -0.4636178384        0.1520369843       -1.2696324580
O             0.0973818765       -0.0503499783        2.6327726230
H             0.8370005863       -0.6571504773        2.6880282220
H             0.4299615862        0.7214695588        2.1532030710
O             0.8053505123       -1.8941339710        0.3830999666
H             0.5987038855       -2.7004991130       -0.0918387780
H            -0.0489512253       -1.5714764650        0.6918157493
O            -2.3372255010        1.0059541210        1.5512262240
H            -1.6895303220        1.6847695570        1.3186567080
H            -1.8570932590        0.4911240496        2.2114307340
    18
 Energy=    -42.1297248625631
O            -2.0281812560       -0.6837722557       -0.5565018665
H            -2.8386420110       -0.9108929112       -1.0105474920
H            -2.2841184650       -0.0822497636        0.1713968551
O             0.2295242443        2.1621006660        0.8749524332
H             0.3785318802        1.6646605060        0.0423223798
H             0.6840853861        2.9978132190        0.7800876450
O             0.4449318255        0.4875056957       -1.2218513960
H             0.9203435814       -0.2729486427       -0.8646307743
H            -0.4627563189        0.1522795042       -1.2700027080
O             0.0980146768       -0.0439049117        2.6398276180
H             0.8323284456       -0.6624965849        2.6783184120
H             0.4303463052        0.7233604427        2.1562663330
O             0.8020043396       -1.8922053200        0.3859721568
H             0.6047333386       -2.7015710230       -0.0874107159
H            -0.0612185519       -1.5760485900        0.6782171115
O            -2.3357679150        1.0048323410        1.5515721900
H            -1.6899907940        1.6853226640        1.3186483080
H            -1.8538207120        0.4912279636        2.2114535100
    18
 Energy=    -42.1714433880796
O            -2.0198890780       -0.6888587210       -0.5453963214
H            -2.8281981530       -0.9201850877       -1.0012613030
H            -2.2791119210       -0.0825637096        0.1780838947
O             0.2284414297        2.1664785640        0.8735752979
H             0.3792512326        1.6693545700        0.0416770324
H             0.6851958870        3.0011284400        0.7800653493
O             0.4479709125        0.4890930035       -1.2252181900
H             0.9240521679       -0.2685715028       -0.8636185994
H            -0.4594355224        0.1532307439       -1.2714382640
O             0.1026408791       -0.0227785976        2.6678266390
H             0.8115711145       -0.6803388627        2.6408945640
H             0.4324236491        0.7315374824        2.1673293190
O             0.7864490095       -1.8849880740        0.3971751517
H             0.6290634207       -2.7062151780       -0.0708159740
H            -0.1068822002       -1.5929069300        0.6261802081
O            -2.3303136890        1.0005891010        1.5528368310
H            -1.6917381630        1.6873935630        1.3186447350
H            -1.8411429770        0.4916141956        2.2115496300
    18
 Energy=    -42.2105876314125
O            -2.0166931850       -0.6908351184       -0.5411192452
H            -2.8241732230       -0.9237702026       -0.9976891171
H            -2.2771645870       -0.0826846545        0.1806776332
O             0.2280237774        2.1681711760        0.8730423835
H             0.3795259402        1.6711554360        0.0414229656
H             0.6856280148        3.0024143120        0.7800566388
O             0.4491355411        0.4897180977       -1.2265178720
H             0.9254890541       -0.2668893507       -0.8632240275
H            -0.4581536917        0.1536041231       -1.2719949770
O             0.1052101821       -0.0156131542        2.6786307710
H             0.8027100442       -0.6862977010        2.6265595310
H             0.4332928072        0.7347401253        2.1715019420
O             0.7793883907       -1.8823374530        0.4014710628
H             0.6388224269       -2.7080340420       -0.0644508694
H            -0.1238068067       -1.5992364640        0.6061743025
O            -2.3282361400        0.9989712003        1.5533171010
H            -1.6924128080        1.6881668970        1.3186537160
H            -1.8362377380        0.4917697722        2.2115780610
    18
 Energy=    -42.2347869167950
O            -2.0150924430       -0.6918274715       -0.5389774843
H            -2.8221567190       -0.9255668204       -0.9959001219
H            -2.2761856850       -0.0827465383        0.1819793168
O             0.2278144737        2.1690196500        0.8727752396
H             0.3796632768        1.6720563890        0.0412949465
H             0.6858448243        3.0030593120        0.7800523725
O             0.4497185317        0.4900329879       -1.2271695680
H             0.9262089986       -0.2660469765       -0.8630249361
H            -0.4575108714        0.1537924278       -1.2722741010
O             0.1066261247       -0.0121732963        2.6840205370
H             0.7981369044       -0.6891360160        2.6194041630
H             0.4337309948        0.7363463319        2.1735878340
O             0.7756888260       -1.8810345290        0.4036067457
H             0.6437531152       -2.7089245390       -0.0612475511
H            -0.1321666144       -1.6024006080        0.5961537564
O            -2.3271961800        0.9981624877        1.5535574340
H            -1.6927514700        1.6885507480        1.3186596280
H            -1.8337780870        0.4918494609        2.2115917890
    18
 Energy=    -42.2621876375651
O            -2.0134898170       -0.6928224522       -0.5368342459
H            -2.8201378140       -0.9273660629       -0.9941091098
H            -2.2752035150       -0.0828095139        0.1832842037
O             0.2276046821        2.1698694790        0.8725078072
H             0.3798007741        1.6729577500        0.0411663478
H             0.6860620018        3.0037055690        0.7800481311
O             0.4503020034        0.4903493391       -1.2278228800
H             0.9269296498       -0.2652038858       -0.8628242454
H            -0.4568667109        0.1539817985       -1.2725534770
O             0.1081336605       -0.0088355623        2.6893997540
H             0.7934643036       -0.6918807245        2.6122560690
H             0.4341718161        0.7379626656        2.1756753570
O             0.7718855163       -1.8797437060        0.4057324205
H             0.6487017799       -2.7097908030       -0.0580239931
H            -0.1404506172       -1.6055781840        0.5861175959
O            -2.3261545550        0.9973536900        1.5537975710
H            -1.6930909790        1.6889332810        1.3186663220
H            -1.8313141800        0.4919303224        2.2116063710
    18
 Energy=    -42.2930521230201
O            -2.0118852440       -0.6938201157       -0.5346900032
H            -2.8181166380       -0.9291681070       -0.9923159175
H            -2.2742178080       -0.0828739355        0.1845925232
O             0.2273942187        2.1707207860        0.8722402031
H             0.3799385826        1.6738595460        0.0410372415
H             0.6862794666        3.0043531150        0.7800439058
O             0.4508861143        0.4906671341       -1.2284782790
H             0.9276508187       -0.2643600162       -0.8626215374
H            -0.4562211144        0.1541723329       -1.2728328760
O             0.1097397469       -0.0056078877        2.6947664470
H             0.7886839193       -0.6945291866        2.6051117860
H             0.4346161704        0.7395941420        2.1777686690
O             0.7679804032       -1.8784640850        0.4078456232
H             0.6536571028       -2.7106254320       -0.0547770999
H            -0.1486499181       -1.6087771210        0.5760654161
O            -2.3251104290        0.9965445249        1.5540373320
H            -1.6934312570        1.6893147850        1.3186737880
H            -1.8288461360        0.4920125216        2.2116227760
    18
 Energy=    -42.6997572306466
O            -2.0003959970       -0.7009992880       -0.5194229318
H            -2.8036741530       -0.9421068264       -0.9794811865
H            -2.2671396400       -0.0832986963        0.1940430814
O             0.2258514828        2.1768729020        0.8703416730
H             0.3809514880        1.6803119460        0.0401020014
H             0.6878487869        3.0090456380        0.7799971945
O             0.4550443970        0.4929639196       -1.2332482200
H             0.9328611424       -0.2583445525       -0.8611467399
H            -0.4515980197        0.1555428729       -1.2748071740
O             0.1262623146        0.0122308814        2.7337820340
H             0.7488685848       -0.7097742421        2.5526283100
H             0.4384147592        0.7527001011        2.1934561810
O             0.7365227195       -1.8698876690        0.4227135674
H             0.6880434365       -2.7149478350       -0.0314198897
H            -0.2028329175       -1.6327382740        0.5043000764
O            -2.3176178340        0.9908011635        1.5556450970
H            -1.6958638080        1.6920219720        1.3187627060
H            -1.8111987410        0.4926189864        2.2118442190
    18
 Energy=    -43.4881490579758
O            -1.9832962070       -0.7119583992       -0.4965650708
H            -2.7818814750       -0.9619494704       -0.9599903991
H            -2.2551077340       -0.0852514470        0.2084752874
O             0.2234982133        2.1863274650        0.8675204283
H             0.3824611019        1.6899135940        0.0387615643
H             0.6901337714        3.0161448760        0.7800317797
O             0.4618431400        0.4964435467       -1.2405645630
H             0.9402830647       -0.2486950003       -0.8585984356
H            -0.4444541702        0.1579143107       -1.2776587030
O             0.1603146408        0.0367903455        2.7824894470
H             0.6797969255       -0.7234559011        2.4733207660
H             0.4428145582        0.7655709142        2.2256243330
O             0.6751448974       -1.8626327760        0.4390410588
H             0.7423283150       -2.7193000220        0.0051452533
H            -0.2744322086       -1.6646282040        0.4007858813
O            -2.3050160090        0.9817003316        1.5588471350
H            -1.6995867710        1.6955901940        1.3191136030
H            -1.7844960540        0.4944886416        2.2123106340
    18
 Energy=    -43.9038931877363
O            -1.9700851650       -0.7206954488       -0.4795399385
H            -2.7652700540       -0.9774115272       -0.9448999366
H            -2.2450843080       -0.0875024581        0.2199619234
O             0.2215826006        2.1936601990        0.8654050155
H             0.3836441108        1.6972577560        0.0378148497
H             0.6918694765        3.0217075820        0.7800747766
O             0.4671157237        0.4994196373       -1.2464363090
H             0.9458568976       -0.2412336498       -0.8562229637
H            -0.4387261701        0.1600000892       -1.2797514760
O             0.1893971050        0.0478238002        2.8171413670
H             0.6213639610       -0.7279703126        2.4127206580
H             0.4478019319        0.7771804083        2.2513329120
O             0.6231212174       -1.8601592760        0.4483009817
H             0.7829731235       -2.7201288160        0.0344703781
H            -0.3244461350       -1.6879723450        0.3234285099
O            -2.2949099480        0.9746042721        1.5614064870
H            -1.7022930980        1.6981549950        1.3194784970
H            -1.7635632690        0.4962780946        2.2134042670
    18
 Energy=    -44.0261338327860
O            -1.9686386500       -0.7217669985       -0.4780198696
H            -2.7635469700       -0.9791432343       -0.9431893665
H            -2.2437047600       -0.0880916956        0.2213655635
O             0.2213454208        2.1944442710        0.8652045488
H             0.3837752615        1.6980525740        0.0377606662
H             0.6920454641        3.0223483560        0.7800809476
O             0.4677102875        0.4998882731       -1.2471346010
H             0.9463926884       -0.2404252870       -0.8557795104
H            -0.4380175252        0.1603517558       -1.2799541990
O             0.1925057123        0.0471615967        2.8196059830
H             0.6144405144       -0.7271190977        2.4068574740
H             0.4486265662        0.7789043259        2.2540183050
O             0.6182305766       -1.8622904810        0.4482580445
H             0.7859364976       -2.7174147890        0.0389408556
H            -0.3294642944       -1.6906633560        0.3149280946
O            -2.2936433520        0.9737891860        1.5617712990
H            -1.7025064520        1.6983820640        1.3195301230
H            -1.7611389850        0.4966055375        2.2138456420
    18
 Energy=    -44.3451277024540
O            -1.9610792050       -0.7270626225       -0.4701362397
H            -2.7550713370       -0.9880519296       -0.9346310463
H            -2.2364773730       -0.0913662641        0.2284317373
O             0.2201643895        2.1985587310        0.8641926733
H             0.3844539957        1.7020755880        0.0375074371
H             0.6928674607        3.0255118330        0.7801285350
O             0.4709707933        0.5019816628       -1.2505517670
H             0.9489395659       -0.2360411729       -0.8535855741
H            -0.4344607065        0.1621912043       -1.2809627280
O             0.2081512153        0.0421068340        2.8314456830
H             0.5784326119       -0.7219252926        2.3769720690
H             0.4536566639        0.7883997399        2.2680941040
O             0.5880840406       -1.8644269980        0.4499829192
H             0.8022627135       -2.7120715110        0.0578269564
H            -0.3511315046       -1.7043101880        0.2736835440
O            -2.2870717710        0.9695148470        1.5636783140
H            -1.7035175630        1.6995508060        1.3197965630
H            -1.7488259890        0.4983777322        2.2162168210
    18
 Energy=    -44.5732013679938
O            -1.9507064230       -0.7344594205       -0.4613289747
H            -2.7443814750       -1.0003424530       -0.9225041319
H            -2.2251172180       -0.0981237355        0.2385278572
O             0.2185917684        2.2042845760        0.8631435362
H             0.3854234427        1.7075765180        0.0373903727
H             0.6937881130        3.0298796100        0.7801507636
O             0.4759346397        0.5050693913       -1.2550163810
H             0.9518943408       -0.2297833037       -0.8497184119
H            -0.4295039107        0.1654990081       -1.2822845140
O             0.2227776531        0.0399559128        2.8400902180
H             0.5335484917       -0.7172412202        2.3384493100
H             0.4612522035        0.7986035854        2.2885440280
O             0.5529024191       -1.8609293190        0.4532630840
H             0.8169780062       -2.7042479760        0.0851716653
H            -0.3800374258       -1.7283624470        0.2161695644
O            -2.2769217540        0.9633646062        1.5670647040
H            -1.7044775180        1.7008683430        1.3200968830
H            -1.7315973550        0.5014013244        2.2208804260
    18
 Energy=    -44.8229476885844
O            -1.9357595440       -0.7459060643       -0.4546029055
H            -2.7325512520       -1.0185162360       -0.9038293583
H            -2.2035425570       -0.1150533848        0.2544344923
O             0.2167375063        2.2131478650        0.8624457586
H             0.3868775742        1.7155899580        0.0381274925
H             0.6946700755        3.0370554600        0.7798935786
O             0.4844991977        0.5105150126       -1.2610990800
H             0.9547898501       -0.2197309961       -0.8413524907
H            -0.4218757799        0.1729731041       -1.2839351950
O             0.2306654066        0.0369821649        2.8396387460
H             0.4716439161       -0.7097015346        2.2834026860
H             0.4768238850        0.8108202900        2.3182850030
O             0.5025386364       -1.8483080010        0.4529928515
H             0.8240556935       -2.6904186250        0.1304938576
H            -0.4106990255       -1.7689391690        0.1370266913
O            -2.2598610850        0.9533782943        1.5739001540
H            -1.7042347010        1.7011201440        1.3207534760
H            -1.7044297970        0.5080047191        2.2315142420
    18
 Energy=    -44.8899479357152
O            -1.9294669070       -0.7475530545       -0.4565397517
H            -2.7377695440       -1.0242839340       -0.8997147107
H            -2.1925450050       -0.1274902294        0.2584174436
O             0.2172231440        2.2160849490        0.8631590716
H             0.3872761983        1.7179489650        0.0392965370
H             0.6945733564        3.0404731700        0.7792109196
O             0.4883924395        0.5128700760       -1.2616034220
H             0.9540730950       -0.2157439105       -0.8366413690
H            -0.4197626001        0.1778114506       -1.2842849380
O             0.2194211663        0.0356501991        2.8319265570
H             0.4589987749       -0.7069922573        2.2675891500
H             0.4847609118        0.8116287950        2.3229346910
O             0.4912934966       -1.8404258760        0.4473898834
H             0.8177925746       -2.6878696350        0.1491695055
H            -0.4130805349       -1.7792378690        0.1217954775
O            -2.2542033240        0.9479274725        1.5783860970
H            -1.7016319950        1.6999641830        1.3207551470
H            -1.6949972470        0.5122505051        2.2368437110
    18
 Energy=    -45.2377304034330
O            -1.9311469450       -0.7582871972       -0.4839970543
H            -2.7522389550       -1.0289455010       -0.8844609419
H            -2.1635868340       -0.1627760007        0.2677017496
O             0.2229712496        2.2238377320        0.8672439636
H             0.3883835750        1.7236177710        0.0434830374
H             0.6931436012        3.0509620710        0.7753561237
O             0.4953654245        0.5225242991       -1.2583079720
H             0.9506630449       -0.2083328534       -0.8218005954
H            -0.4141552084        0.1946909395       -1.2861665550
O             0.1707747883        0.0329729704        2.7960433080
H             0.4476959676       -0.7019504040        2.2409399680
H             0.5023113561        0.8048513845        2.3227144910
O             0.4909082868       -1.8200299140        0.4272345044
H             0.7999965396       -2.6973555110        0.2003993018
H            -0.4243312135       -1.7810874390        0.1103043146
O            -2.2408120380        0.9386545125        1.5878109510
H            -1.6958645520        1.6884651810        1.3205381180
H            -1.6697300890        0.5212009604        2.2530532890
    18
 Energy=    -45.3123548088209
O            -1.9314539260       -0.7600602122       -0.4876493295
H            -2.7595360890       -1.0292292510       -0.8816678550
H            -2.1581454100       -0.1698015693        0.2669387066
O             0.2260536823        2.2258777560        0.8687913471
H             0.3890584453        1.7257107690        0.0445115533
H             0.6927333459        3.0546758790        0.7734155370
O             0.4966701524        0.5259951836       -1.2544345080
H             0.9494130107       -0.2070044508       -0.8193415398
H            -0.4131249133        0.1992612367       -1.2883672300
O             0.1629221202        0.0320282586        2.7869420290
H             0.4458102609       -0.7050599589        2.2356414530
H             0.5024630511        0.8047198986        2.3217858500
O             0.4931598830       -1.8202411080        0.4212156385
H             0.8000017685       -2.7041318570        0.2131438797
H            -0.4283961403       -1.7714370570        0.1141060040
O            -2.2383844290        0.9348332936        1.5901145170
H            -1.6949281070        1.6857281160        1.3185909920
H            -1.6639687070        0.5211480736        2.2543529560
    18
 Energy=    -45.3458251361973
O            -1.9315159200       -0.7616530803       -0.4876284818
H            -2.7623939080       -1.0296278750       -0.8800736479
H            -2.1564640800       -0.1712618751        0.2666881989
O             0.2279191156        2.2271713120        0.8696013707
H             0.3896916513        1.7271597320        0.0450586046
H             0.6925966716        3.0570813740        0.7722026205
O             0.4968621453        0.5283427817       -1.2517163720
H             0.9489315123       -0.2066850535       -0.8185925994
H            -0.4122737193        0.2016061798       -1.2903734160
O             0.1620402073        0.0304964027        2.7836623720
H             0.4432629047       -0.7079728810        2.2320682870
H             0.5013549088        0.8064123982        2.3217235950
O             0.4931311683       -1.8210991850        0.4190976951
H             0.7990018380       -2.7067331960        0.2193659388
H            -0.4288216632       -1.7672406390        0.1153695155
O            -2.2369502120        0.9327661735        1.5906233410
H            -1.6953066850        1.6843177500        1.3170738460
H            -1.6607179360        0.5199326825        2.2539391310
    18
 Energy=    -45.3952317612968
O            -1.9331024460       -0.7656623164       -0.4865002212
H            -2.7667374810       -1.0303688500       -0.8762668708
H            -2.1537788680       -0.1726875485        0.2662252801
O             0.2323963331        2.2309121490        0.8715620670
H             0.3913722651        1.7302835220        0.0462579264
H             0.6920795535        3.0623315920        0.7695342122
O             0.4989409020        0.5331149886       -1.2445927710
H             0.9471618150       -0.2052063982       -0.8180102396
H            -0.4115685720        0.2062693352       -1.2954806780
O             0.1619212339        0.0264715078        2.7776641350
H             0.4376890275       -0.7132877396        2.2242125500
H             0.4979345359        0.8089072566        2.3210502640
O             0.4942895795       -1.8217972240        0.4159072790
H             0.7939689258       -2.7117751930        0.2321766393
H            -0.4280212857       -1.7601829140        0.1179711838
O            -2.2341389020        0.9272613235        1.5914976350
H            -1.6962509900        1.6817897950        1.3133414900
H            -1.6538076260        0.5166397146        2.2515401180
    18
 Energy=    -45.5111224124552
O            -1.9366056450       -0.7762508571       -0.4828694526
H            -2.7758896870       -1.0335707710       -0.8663961839
H            -2.1480979810       -0.1745355546        0.2671641424
O             0.2428221715        2.2404116230        0.8761040117
H             0.3961414129        1.7383255360        0.0507703135
H             0.6912959019        3.0774019370        0.7630908964
O             0.4992861348        0.5464908439       -1.2291152350
H             0.9442386415       -0.2038785783       -0.8148669905
H            -0.4063100145        0.2195124634       -1.3085744580
O             0.1614956099        0.0164986058        2.7662242330
H             0.4239779778       -0.7205557504        2.2014247810
H             0.4897603808        0.8082736149        2.3176538430
O             0.4987065550       -1.8181760170        0.4103783262
H             0.7740225417       -2.7225931850        0.2649827725
H            -0.4232901664       -1.7505262560        0.1213205964
O            -2.2262163600        0.9154927608        1.5905478680
H            -1.7004047940        1.6731820400        1.3054938510
H            -1.6345846790        0.5075105446        2.2447566850
    18
 Energy=    -45.6012656231238
O            -1.9420634730       -0.7874903014       -0.4755236862
H            -2.7818654730       -1.0398055850       -0.8514380750
H            -2.1424267440       -0.1777843404        0.2685108294
O             0.2535600012        2.2533492730        0.8815935655
H             0.4031166468        1.7488989150        0.0590954192
H             0.6909331873        3.0985558640        0.7562435541
O             0.5020049111        0.5610280896       -1.2131013070
H             0.9402112286       -0.2001421607       -0.8110574064
H            -0.4008950031        0.2360566573       -1.3244384660
O             0.1622573231        0.0039907821        2.7584444910
H             0.4058056349       -0.7193973261        2.1667785080
H             0.4817484776        0.7978479708        2.3122731250
O             0.5023578453       -1.8120671530        0.4069202509
H             0.7469355697       -2.7342275190        0.3086620587
H            -0.4207591965       -1.7448285570        0.1178594693
O            -2.2170039120        0.8975223858        1.5875947260
H            -1.7043797480        1.6654651720        1.2970188300
H            -1.6091892750        0.4960408321        2.2326541130
    18
 Energy=    -45.6121007743282
O            -1.9393047110       -0.7916790769       -0.4725118627
H            -2.7838022870       -1.0444515510       -0.8467253193
H            -2.1427590550       -0.1763179790        0.2722242925
O             0.2575860454        2.2638902040        0.8845694996
H             0.4062845260        1.7516711880        0.0612012120
H             0.6888052480        3.1019357700        0.7554801791
O             0.5034840958        0.5640218472       -1.2100173290
H             0.9387670578       -0.1977415071       -0.8102365272
H            -0.3989904398        0.2414025944       -1.3292162060
O             0.1650653860       -0.0008101605        2.7589922020
H             0.3980237634       -0.7153870992        2.1523520680
H             0.4803714486        0.7923074967        2.3112111390
O             0.5008822697       -1.8108912180        0.4087391954
H             0.7374893640       -2.7352333260        0.3235761907
H            -0.4217338360       -1.7469553580        0.1111488126
O            -2.2112362390        0.8941169927        1.5844511860
H            -1.7079580470        1.6612408250        1.2962754430
H            -1.6006265890        0.4918933585        2.2265758240
    18
 Energy=    -45.6523337401566
O            -1.9388203630       -0.7887074652       -0.4742776614
H            -2.7809290570       -1.0435010780       -0.8491644339
H            -2.1429695360       -0.1773455867        0.2718452864
O             0.2536506850        2.2582220620        0.8826164286
H             0.4045376980        1.7500066490        0.0604740415
H             0.6900796366        3.0994025160        0.7569709744
O             0.5032569430        0.5608296240       -1.2147704510
H             0.9399293210       -0.1984347183       -0.8105008628
H            -0.4002558974        0.2377219778       -1.3251467660
O             0.1640729269        0.0017396129        2.7604679760
H             0.4008666962       -0.7144703080        2.1588812670
H             0.4835771668        0.7947134697        2.3131750830
O             0.4981715255       -1.8119581880        0.4092579957
H             0.7440768068       -2.7318974210        0.3151367441
H            -0.4235256289       -1.7496785570        0.1093523345
O            -2.2137744080        0.8965233244        1.5858323790
H            -1.7057997260        1.6646908370        1.2981249130
H            -1.6057967880        0.4951562492        2.2298147510
    18
 Energy=    -45.6596083769900
O            -1.9379122320       -0.7898505111       -0.4751147329
H            -2.7811985910       -1.0457145510       -0.8465294992
H            -2.1401549130       -0.1807542721        0.2734649375
O             0.2537501132        2.2597518730        0.8831380357
H             0.4051459680        1.7514675660        0.0615849579
H             0.6901087532        3.1015872850        0.7567754057
O             0.5045866013        0.5620909549       -1.2152780260
H             0.9397847229       -0.1972319043       -0.8089201144
H            -0.3995929733        0.2397394919       -1.3256375210
O             0.1621329588        0.0004844603        2.7581196410
H             0.3958572971       -0.7132544283        2.1522519630
H             0.4858338867        0.7946615938        2.3148931080
O             0.4938306559       -1.8106996390        0.4079362828
H             0.7434975028       -2.7323849050        0.3229872597
H            -0.4264660229       -1.7511175090        0.1037427355
O            -2.2116268510        0.8944646951        1.5862833270
H            -1.7054717940        1.6643615810        1.2981063740
H            -1.6017570820        0.4954112178        2.2302858660
    18
 Energy=    -45.6762182219070
O            -1.9377298530       -0.7894551630       -0.4748613845
H            -2.7802879440       -1.0485499960       -0.8442845890
H            -2.1403729760       -0.1821470004        0.2745402538
O             0.2529934360        2.2618542120        0.8840916794
H             0.4064433830        1.7531783230        0.0638988012
H             0.6900745100        3.1042113390        0.7573438724
O             0.5055076007        0.5626516534       -1.2173366910
H             0.9395719980       -0.1966135838       -0.8080314353
H            -0.3994881023        0.2414426384       -1.3258635480
O             0.1627686840       -0.0014852304        2.7568010360
H             0.3938986996       -0.7109252130        2.1470702270
H             0.4876088194        0.7927218007        2.3154726020
O             0.4904399080       -1.8121785420        0.4086473048
H             0.7424554396       -2.7326086470        0.3291918940
H            -0.4287501458       -1.7507212810        0.1006505924
O            -2.2100593500        0.8927006837        1.5845190860
H            -1.7057654700        1.6650636670        1.2986524490
H            -1.5989606370        0.4938733397        2.2275878500
    18
 Energy=    -45.7522822164734
O            -1.9401228110       -0.7894047918       -0.4758616360
H            -2.7825883450       -1.0722531920       -0.8286068346
H            -2.1441965870       -0.1870793500        0.2793528436
O             0.2542614864        2.2849677810        0.8955203862
H             0.4179301898        1.7697048680        0.0815055232
H             0.6865713583        3.1269762280        0.7616203110
O             0.5115216241        0.5695094497       -1.2210874690
H             0.9339773268       -0.1919448992       -0.8049412955
H            -0.3967275364        0.2600725602       -1.3322403440
O             0.1677513461       -0.0184666775        2.7362988130
H             0.3890128728       -0.7130321565        2.1072907990
H             0.4960849809        0.7853239149        2.3144047610
O             0.4808781467       -1.8147111050        0.4129621852
H             0.7137605015       -2.7418012290        0.3859811544
H            -0.4343363957       -1.7440148010        0.0974868698
O            -2.1970613530        0.8785873545        1.5700714010
H            -1.7114657630        1.6663028370        1.2985868030
H            -1.5749030420        0.4742762073        2.1997457300
    18
 Energy=    -45.7786665839651
O            -1.9419948660       -0.7871219302       -0.4784200294
H            -2.7830835910       -1.0782427740       -0.8282488139
H            -2.1486195710       -0.1850642530        0.2771812234
O             0.2532223741        2.2884699360        0.8983363910
H             0.4197064068        1.7733943650        0.0851960598
H             0.6853982542        3.1310199570        0.7651794778
O             0.5118941383        0.5690426199       -1.2223889820
H             0.9325891813       -0.1924692747       -0.8067537927
H            -0.3973379766        0.2626906388       -1.3312876490
O             0.1698058046       -0.0204034832        2.7301851470
H             0.3980196572       -0.7178763526        2.1050253130
H             0.4990049217        0.7847949879        2.3127184900
O             0.4833581736       -1.8149323050        0.4154705617
H             0.7055904694       -2.7443261190        0.3937635132
H            -0.4336038126       -1.7414924910        0.1053367820
O            -2.1972945370        0.8783374974        1.5660739570
H            -1.7125887420        1.6683516480        1.2994759370
H            -1.5737182840        0.4688403331        2.1912464160
    18
 Energy=    -45.7998009116166
O            -1.9443127220       -0.7849609692       -0.4818805632
H            -2.7825205150       -1.0859356290       -0.8284057962
H            -2.1535128530       -0.1823207566        0.2716249366
O             0.2520245903        2.2921894800        0.9015497942
H             0.4207085074        1.7777635100        0.0879605304
H             0.6835664038        3.1347669510        0.7709576400
O             0.5111854061        0.5693231166       -1.2232509730
H             0.9321103903       -0.1945764990       -0.8096348220
H            -0.3980828920        0.2651220889       -1.3290321110
O             0.1716050086       -0.0221865501        2.7229422580
H             0.4108623054       -0.7233523246        2.1030492450
H             0.5043533253        0.7845688542        2.3111547930
O             0.4847590452       -1.8145597530        0.4185107208
H             0.6971653771       -2.7475565570        0.4026619587
H            -0.4344142158       -1.7391250100        0.1141679782
O            -2.1981872790        0.8783892251        1.5639469350
H            -1.7133641020        1.6711197220        1.3007271480
H            -1.5735977810        0.4643441000        2.1810403270
    18
 Energy=    -45.8347698449107
O            -1.9438428980       -0.7832695807       -0.4845707523
H            -2.7792989470       -1.0927953430       -0.8321628749
H            -2.1595550900       -0.1760399941        0.2626949194
O             0.2490975108        2.2905658250        0.9022665122
H             0.4187519675        1.7806268370        0.0874347937
H             0.6823338342        3.1350234180        0.7788490787
O             0.5105021921        0.5675923691       -1.2229803970
H             0.9333182969       -0.1974213913       -0.8155507489
H            -0.4010067753        0.2627869549       -1.3240927520
O             0.1755403076       -0.0215358436        2.7205365620
H             0.4264413413       -0.7254260647        2.1071267360
H             0.5114445396        0.7846343940        2.3112889260
O             0.4825163964       -1.8151636820        0.4234473340
H             0.6957508650       -2.7482546640        0.4014314818
H            -0.4376890097       -1.7395942940        0.1203421682
O            -2.2039152170        0.8842395078        1.5627925230
H            -1.7137357620        1.6742606030        1.3033140760
H            -1.5763055530        0.4627839491        2.1759224140
    18
 Energy=    -45.8679227785640
O            -1.9422019140       -0.7885195783       -0.4860200913
H            -2.7741416700       -1.1098918290       -0.8309876717
H            -2.1637712190       -0.1688226457        0.2488699246
O             0.2491036497        2.2960091150        0.9065062992
H             0.4181291123        1.7911380160        0.0880350373
H             0.6790063780        3.1421895010        0.7901290453
O             0.5084598536        0.5722652825       -1.2148384300
H             0.9354167738       -0.1995350013       -0.8232762463
H            -0.4012495775        0.2660538900       -1.3220049120
O             0.1828118480       -0.0277476754        2.7135904530
H             0.4372400403       -0.7218478306        2.0928414210
H             0.5238763887        0.7805833860        2.3128569970
O             0.4692931851       -1.8178610890        0.4313468392
H             0.6856327300       -2.7514550920        0.4207035916
H            -0.4476208211       -1.7399021320        0.1189080489
O            -2.2049599750        0.8847461001        1.5629592550
H            -1.7165160090        1.6767686950        1.3037203200
H            -1.5681607740        0.4588418898        2.1647501180
    18
 Energy=    -45.8725936003333
O            -1.9426205640       -0.7887778456       -0.4867232381
H            -2.7754094000       -1.1090870220       -0.8306657466
H            -2.1628004830       -0.1701145083        0.2498389363
O             0.2496693538        2.2962342840        0.9067211052
H             0.4184578946        1.7910605770        0.0883572586
H             0.6790872220        3.1425642070        0.7891144038
O             0.5086242089        0.5726637930       -1.2142835620
H             0.9349721230       -0.1989965155       -0.8224704445
H            -0.4009807281        0.2666734628       -1.3227144010
O             0.1812386984       -0.0278811108        2.7124474860
H             0.4365150207       -0.7222438585        2.0927167040
H             0.5230363122        0.7805296506        2.3121886400
O             0.4710129477       -1.8179886370        0.4303257172
H             0.6841273141       -2.7515163570        0.4214431979
H            -0.4464390156       -1.7390536570        0.1201399236
O            -2.2036911110        0.8839620718        1.5630639270
H            -1.7166258030        1.6759766370        1.3033207790
H            -1.5678259910        0.4590078264        2.1652693140
    18
 Energy=    -45.8832578837258
O            -1.9429186410       -0.7930376126       -0.4902489247
H            -2.7770528950       -1.1170827930       -0.8266753608
H            -2.1587030450       -0.1748569654        0.2477209026
O             0.2520670078        2.3016729120        0.9102950851
H             0.4199345200        1.7976413920        0.0910565344
H             0.6777476414        3.1497486450        0.7909966992
O             0.5089066541        0.5778838119       -1.2081808690
H             0.9345705944       -0.1962919513       -0.8218474002
H            -0.3994693664        0.2719460136       -1.3248430890
O             0.1812296552       -0.0315841254        2.7040848320
H             0.4327128661       -0.7219576451        2.0776885940
H             0.5269750621        0.7792129416        2.3127488110
O             0.4670477249       -1.8194102330        0.4292702338
H             0.6714668209       -2.7535100020        0.4405968646
H            -0.4499347702       -1.7386845220        0.1187523859
O            -2.1977024040        0.8789349732        1.5621779710
H            -1.7184663490        1.6744672820        1.3019318650
H            -1.5580630770        0.4579208792        2.1625648650
    18
 Energy=    -45.8942145777124
O            -1.9421316740       -0.7978150563       -0.4981767170
H            -2.7756023590       -1.1318120590       -0.8247467210
H            -2.1551235950       -0.1811810106        0.2403567754
O             0.2530148817        2.3086205890        0.9157831714
H             0.4198633198        1.8073424080        0.0944158188
H             0.6756144575        3.1584743720        0.7988123314
O             0.5070817588        0.5839690737       -1.2009873030
H             0.9365324008       -0.1917458374       -0.8226144553
H            -0.3992162931        0.2749010874       -1.3231455390
O             0.1891350329       -0.0349060224        2.6962075120
H             0.4317385282       -0.7188482530        2.0586087930
H             0.5364998336        0.7791312209        2.3146197200
O             0.4578125852       -1.8230286870        0.4286986429
H             0.6536458956       -2.7580805160        0.4624543255
H            -0.4590909446       -1.7414487350        0.1179028705
O            -2.1916404330        0.8738940589        1.5584549980
H            -1.7209495530        1.6758645600        1.3016209220
H            -1.5468358410        0.4596818077        2.1598248530
    18
 Energy=    -45.9004255213134
O            -1.9415167230       -0.7981840227       -0.5009781584
H            -2.7745047870       -1.1346480030       -0.8265796616
H            -2.1558152650       -0.1816948748        0.2380293903
O             0.2523396109        2.3091699640        0.9166833174
H             0.4189123796        1.8087324070        0.0951350591
H             0.6753597704        3.1590148940        0.8016372878
O             0.5057469430        0.5845417845       -1.2004234220
H             0.9378608736       -0.1905866623       -0.8230706782
H            -0.4002148262        0.2729844686       -1.3210699960
O             0.1939895000       -0.0344340715        2.6973801560
H             0.4336980199       -0.7172857583        2.0577615300
H             0.5386180696        0.7800680966        2.3145871930
O             0.4563328705       -1.8248569090        0.4285612004
H             0.6505915391       -2.7599752580        0.4622315674
H            -0.4612856189       -1.7424238880        0.1196521669
O            -2.1910609500        0.8739022013        1.5568417660
H            -1.7215576240        1.6772686930        1.3018501190
H            -1.5471457820        0.4614199385        2.1598611630
    18
 Energy=    -45.9074147387512
O            -1.9413633030       -0.7978846465       -0.5066844480
H            -2.7737370770       -1.1382647700       -0.8311167037
H            -2.1572430690       -0.1839864768        0.2337829426
O             0.2508014444        2.3104238880        0.9193370488
H             0.4171566406        1.8103035020        0.0970707574
H             0.6754681325        3.1600236110        0.8060546107
O             0.5027145812        0.5849316634       -1.2000940420
H             0.9400442174       -0.1871805578       -0.8229394548
H            -0.4020929569        0.2685366277       -1.3167645370
O             0.2033571682       -0.0332008968        2.7004670540
H             0.4385822630       -0.7142104080        2.0589691300
H             0.5413123215        0.7825756008        2.3127201540
O             0.4564756303       -1.8282676800        0.4263991095
H             0.6441475927       -2.7664901670        0.4599976924
H            -0.4639340548       -1.7423550690        0.1260009805
O            -2.1898682820        0.8738504735        1.5528383670
H            -1.7226887640        1.6797024500        1.3014341490
H            -1.5487844850        0.4645058554        2.1606171900
    18
 Energy=    -45.9096753572814
O            -1.9408437140       -0.7979441092       -0.5053330211
H            -2.7730977070       -1.1360434110       -0.8323301326
H            -2.1574063900       -0.1831671767        0.2350614248
O             0.2504404721        2.3092142080        0.9182460652
H             0.4164491679        1.8089379790        0.0968164642
H             0.6761373468        3.1580516210        0.8050200892
O             0.5025692964        0.5843608269       -1.2011759480
H             0.9406111549       -0.1869035945       -0.8224194788
H            -0.4024308993        0.2663752849       -1.3163468620
O             0.2054507230       -0.0315457507        2.7046761050
H             0.4363665220       -0.7137167717        2.0610970270
H             0.5397248798        0.7840738126        2.3132145910
O             0.4558385734       -1.8288944590        0.4261839038
H             0.6475862620       -2.7659486130        0.4550804914
H            -0.4636789084       -1.7435686180        0.1235025388
O            -2.1899825990        0.8745790603        1.5535560730
H            -1.7225608020        1.6797098670        1.3008742550
H            -1.5508253800        0.4654428438        2.1623664140
    18
 Energy=    -45.9107514745688
O            -1.9411402620       -0.7978073902       -0.5048589135
H            -2.7736492160       -1.1346805670       -0.8327260189
H            -2.1573865710       -0.1828891580        0.2352551369
O             0.2504787784        2.3086737280        0.9180471300
H             0.4163274470        1.8082329200        0.0964613515
H             0.6763423191        3.1573400310        0.8042826366
O             0.5025316836        0.5840066760       -1.2012013720
H             0.9404257513       -0.1871677294       -0.8223361332
H            -0.4023139979        0.2661811569       -1.3164689130
O             0.2040812442       -0.0310416414        2.7045957950
H             0.4370642693       -0.7140947053        2.0630920830
H             0.5390351450        0.7841108146        2.3127578350
O             0.4569431314       -1.8286870650        0.4260690440
H             0.6484979100       -2.7657745630        0.4534102142
H            -0.4625974837       -1.7429957410        0.1239915908
O            -2.1905250540        0.8749962226        1.5542465790
H            -1.7222302190        1.6793111660        1.3005548080
H            -1.5515368750        0.4652988441        2.1629171460
    18
 Energy=    -45.9131316092998
O            -1.9417531390       -0.7985243036       -0.5048775040
H            -2.7747478980       -1.1338820390       -0.8337533450
H            -2.1570841050       -0.1832829232        0.2347565678
O             0.2504886392        2.3090721050        0.9188051756
H             0.4159022216        1.8083492830        0.0970176446
H             0.6767763329        3.1573624760        0.8037972472
O             0.5020735879        0.5842802809       -1.2004193090
H             0.9405309130       -0.1864579416       -0.8218363897
H            -0.4021793824        0.2656998151       -1.3161909930
O             0.2032246102       -0.0300052300        2.7038587190
H             0.4384525034       -0.7141810121        2.0645573940
H             0.5389761375        0.7847532920        2.3116757120
O             0.4576727453       -1.8293071680        0.4257304514
H             0.6472546092       -2.7669334580        0.4532209654
H            -0.4616812466       -1.7422814980        0.1240379819
O            -2.1904870270        0.8749139309        1.5550315350
H            -1.7218805200        1.6784591840        1.2992291990
H            -1.5511909830        0.4649782078        2.1634489480
    18
 Energy=    -45.9165424784947
O            -1.9426033950       -0.8001986694       -0.5057581291
H            -2.7758631290       -1.1339935300       -0.8360536527
H            -2.1571259210       -0.1843628086        0.2332495646
O             0.2501138058        2.3107148770        0.9206831286
H             0.4147999437        1.8094883240        0.0990019868
H             0.6775623742        3.1582298460        0.8042847641
O             0.5008402155        0.5851345294       -1.1990003270
H             0.9414377329       -0.1843796144       -0.8208791327
H            -0.4024159840        0.2641735599       -1.3148239810
O             0.2043133618       -0.0279771364        2.7029782860
H             0.4412313101       -0.7133788051        2.0657989640
H             0.5400915332        0.7864057663        2.3098347860
O             0.4573751545       -1.8315052690        0.4254716882
H             0.6433044661       -2.7699039250        0.4540388345
H            -0.4614446584       -1.7418940560        0.1232700240
O            -2.1898350050        0.8743370477        1.5553624090
H            -1.7215012150        1.6772702470        1.2969692420
H            -1.5499325890        0.4648526162        2.1636615460
    18
 Energy=    -45.9217164861621
O            -1.9436855810       -0.8032718468       -0.5074750286
H            -2.7770647460       -1.1350501380       -0.8394079541
H            -2.1581057620       -0.1869731335        0.2312284365
O             0.2494497304        2.3148919950        0.9242739994
H             0.4128487143        1.8119265900        0.1030037610
H             0.6790007470        3.1613023690        0.8060792693
O             0.4987269966        0.5870085202       -1.1962238490
H             0.9435560343       -0.1804186406       -0.8189904757
H            -0.4030645430        0.2618578399       -1.3123612190
O             0.2077113762       -0.0246462336        2.7010554980
H             0.4453645919       -0.7115787606        2.0658801800
H             0.5428431286        0.7895936947        2.3068913950
O             0.4551407509       -1.8358000440        0.4255469277
H             0.6350591897       -2.7752746520        0.4578813469
H            -0.4621377698       -1.7423178250        0.1200773914
O            -2.1881364180        0.8721127000        1.5544442740
H            -1.7208073530        1.6748870080        1.2938116640
H            -1.5463510880        0.4647635570        2.1623743830
    18
 Energy=    -45.9280298006445
O            -1.9451303180       -0.8066100768       -0.5110786297
H            -2.7771653370       -1.1392146650       -0.8445250868
H            -2.1609865230       -0.1922778287        0.2292838826
O             0.2485567188        2.3226602670        0.9294050863
H             0.4096958894        1.8182632320        0.1096997754
H             0.6806758010        3.1676454910        0.8111284738
O             0.4953397288        0.5905767398       -1.1902321440
H             0.9474400304       -0.1745487402       -0.8167334012
H            -0.4041765826        0.2584611779       -1.3072220050
O             0.2166333332       -0.0198659488        2.6982510010
H             0.4514969163       -0.7072164561        2.0622586680
H             0.5491647760        0.7945322076        2.3027540680
O             0.4483908951       -1.8432796870        0.4267065052
H             0.6206539255       -2.7837482320        0.4672968864
H            -0.4662608869       -1.7454508290        0.1136831231
O            -2.1836491590        0.8670729725        1.5496454490
H            -1.7208038810        1.6728834230        1.2904985700
H            -1.5395273280        0.4631299527        2.1572697780
    18
 Energy=    -45.9296661554597
O            -1.9456427160       -0.8062769525       -0.5117290637
H            -2.7772361740       -1.1387179720       -0.8460300615
H            -2.1618538340       -0.1939376010        0.2306114752
O             0.2487570294        2.3239653270        0.9298024747
H             0.4088943759        1.8197861130        0.1097329764
H             0.6810782613        3.1689621690        0.8119236816
O             0.4947912867        0.5912109024       -1.1873933540
H             0.9482867419       -0.1743304132       -0.8163106435
H            -0.4042521008        0.2579935123       -1.3054819130
O             0.2182821340       -0.0183615807        2.6979222610
H             0.4525637701       -0.7060101947        2.0618724070
H             0.5501109516        0.7957962395        2.3016080150
O             0.4466973657       -1.8446180140        0.4269110546
H             0.6189315467       -2.7850122500        0.4686997756
H            -0.4674705007       -1.7470194380        0.1123042579
O            -2.1824486160        0.8653373974        1.5477234010
H            -1.7210072150        1.6725570380        1.2906613860
H            -1.5381343080        0.4616887165        2.1552618700
    18
 Energy=    -45.9307376736841
O            -1.9459599170       -0.8058917060       -0.5119213312
H            -2.7777178010       -1.1370190640       -0.8473061131
H            -2.1621268130       -0.1946405457        0.2313720064
O             0.2489590266        2.3242287040        0.9294214716
H             0.4084551201        1.8202896210        0.1089672975
H             0.6813623462        3.1692476670        0.8118974107
O             0.4946998290        0.5910232953       -1.1856400590
H             0.9486249548       -0.1748449139       -0.8158144593
H            -0.4043671354        0.2579010537       -1.3037723700
O             0.2185006153       -0.0172336119        2.6979059890
H             0.4532576246       -0.7054005116        2.0626293280
H             0.5500567521        0.7967542765        2.3007372260
O             0.4462014794       -1.8450883580        0.4269522706
H             0.6193522375       -2.7853032110        0.4680172032
H            -0.4679813100       -1.7480407130        0.1122362145
O            -2.1822092170        0.8643872221        1.5471855900
H            -1.7211528800        1.6720955480        1.2909994350
H            -1.5376069130        0.4605482467        2.1542228890
    18
 Energy=    -45.9326908389320
O            -1.9468174290       -0.8059819396       -0.5126941952
H            -2.7790643550       -1.1332201330       -0.8505975144
H            -2.1621486950       -0.1958334046        0.2318069697
O             0.2491359535        2.3253713720        0.9287182306
H             0.4080163935        1.8219225660        0.1076741350
H             0.6818987483        3.1703043880        0.8118732540
O             0.4947006649        0.5906562739       -1.1820440610
H             0.9489476623       -0.1758649786       -0.8141098542
H            -0.4046299918        0.2578894288       -1.2988831190
O             0.2195589448       -0.0147098188        2.6972454590
H             0.4547143330       -0.7038890796        2.0633455660
H             0.5499276760        0.7988921337        2.2986065060
O             0.4449090821       -1.8462043060        0.4265891627
H             0.6196311460       -2.7863439840        0.4674033411
H            -0.4695644249       -1.7504727670        0.1129801025
O            -2.1814936830        0.8619326513        1.5466230870
H            -1.7219299230        1.6707782090        1.2915138110
H            -1.5354441040        0.4577863889        2.1520391170
    18
 Energy=    -45.9353602648156
O            -1.9479707440       -0.8074840064       -0.5141951318
H            -2.7818215510       -1.1266113290       -0.8564593732
H            -2.1615285690       -0.1969774888        0.2302423444
O             0.2485282234        2.3284065910        0.9275286817
H             0.4087407127        1.8245592730        0.1068948326
H             0.6826508430        3.1726814970        0.8116062309
O             0.4950108454        0.5892796993       -1.1778283950
H             0.9490532521       -0.1771020461       -0.8095814552
H            -0.4055547821        0.2582614431       -1.2896903170
O             0.2212293699       -0.0112196984        2.6952801940
H             0.4567134892       -0.7011071701        2.0624637180
H             0.5498919024        0.8027488749        2.2949749520
O             0.4424338133       -1.8482229700        0.4268300737
H             0.6198419759       -2.7878079400        0.4670884452
H            -0.4726698209       -1.7552099660        0.1140596792
O            -2.1800407190        0.8571779751        1.5472865840
H            -1.7238624410        1.6679101380        1.2920651200
H            -1.5302978000        0.4537301233        2.1495238170
    18
 Energy=    -45.9381450131881
O            -1.9494195310       -0.8067027119       -0.5175292671
H            -2.7827136140       -1.1202458390       -0.8660031385
H            -2.1636912440       -0.1974019237        0.2277471025
O             0.2464484282        2.3328049940        0.9272367996
H             0.4120669925        1.8260125180        0.1096846486
H             0.6814418298        3.1766807330        0.8113166720
O             0.4943078891        0.5865476710       -1.1740338430
H             0.9471943109       -0.1790376089       -0.8024469023
H            -0.4066056623        0.2555182539       -1.2849111570
O             0.2267798708       -0.0099077659        2.6912652950
H             0.4596841525       -0.6985982088        2.0559622310
H             0.5515957368        0.8052916842        2.2909810260
O             0.4395316589       -1.8506894000        0.4301595015
H             0.6211513406       -2.7894222890        0.4693808312
H            -0.4749949448       -1.7606522350        0.1150363630
O            -2.1784644440        0.8528065838        1.5495785140
H            -1.7285175290        1.6666188500        1.2936259440
H            -1.5254472400        0.4533896930        2.1510393790
    18
 Energy=    -45.9391911555476
O            -1.9495077340       -0.8060631481       -0.5178724297
H            -2.7826749920       -1.1140551590       -0.8715736227
H            -2.1642939400       -0.1979512440        0.2280334525
O             0.2455990494        2.3338136220        0.9278334051
H             0.4084233965        1.8259338720        0.1103192784
H             0.6787025380        3.1782159470        0.8088416377
O             0.4963898645        0.5848253828       -1.1713075480
H             0.9461959153       -0.1814973432       -0.7975549749
H            -0.4045690890        0.2554020018       -1.2856021450
O             0.2298892330       -0.0093102767        2.6887751930
H             0.4612971728       -0.6981538832        2.0532291620
H             0.5556590310        0.8057189919        2.2886689620
O             0.4395573935       -1.8524046230        0.4298667754
H             0.6210668672       -2.7910745990        0.4716965866
H            -0.4750124041       -1.7630851260        0.1150780879
O            -2.1798659920        0.8524024454        1.5519347790
H            -1.7315466620        1.6672239610        1.2963856700
H            -1.5249616480        0.4530721798        2.1513377310
    18
 Energy=    -45.9398026651001
O            -1.9470505450       -0.8002016443       -0.5179831474
H            -2.7799153590       -1.1053472870       -0.8747836247
H            -2.1625375030       -0.1945239066        0.2298392318
O             0.2390515813        2.3340923150        0.9246403810
H             0.4064716045        1.8257357720        0.1083680310
H             0.6665931223        3.1810943610        0.8040662767
O             0.5002769794        0.5835450380       -1.1712202780
H             0.9536675369       -0.1816993432       -0.7997534744
H            -0.4003888727        0.2519696062       -1.2824734980
O             0.2328729079       -0.0109624651        2.6874840930
H             0.4632765358       -0.6991837759        2.0508572570
H             0.5563178516        0.8047391765        2.2869646870
O             0.4383753164       -1.8556730920        0.4295818152
H             0.6146408167       -2.7951131310        0.4762590301
H            -0.4756986743       -1.7630844200        0.1143097303
O            -2.1800862900        0.8514992099        1.5562828320
H            -1.7298763010        1.6653039400        1.3004511510
H            -1.5256427090        0.4508226468        2.1551995060
