    18
 Energy=    -45.9398026651068
O             0.6478925242        1.1897114530       -0.6349253587
H             0.8785482683        1.9156772540       -1.2132971500
H             0.0666201578        0.6019388296       -1.1539650180
O            -0.0431738031       -2.7846239620        0.0062366389
H             0.6277602180       -2.2017659300        0.4336035980
H             0.3120564868       -3.6721172810        0.0220888772
O            -2.3519566810       -1.4387297090        0.7547324518
H            -3.0976551230       -1.8685581310        1.1730352590
H            -1.6670912100       -2.1192328950        0.6480782833
O            -0.6419722053        0.6159874495        1.9368498830
H            -0.3973199586        1.1228967560        1.1535301350
H            -1.3621089750        0.0460731504        1.6391438910
O             1.5316610050       -0.9512268537        1.1213828370
H             0.8748380224       -0.4871531921        1.6697973660
H             1.7035861670       -0.2952087797        0.4354535069
O            -1.0164094290       -0.6953725385       -1.7312116430
H            -0.5925489234       -1.5251082210       -1.4754784030
H            -1.8014964860       -0.6879135751       -1.1719869760
    18
 Energy=    -45.9387318567019
O             0.6504634466        1.1890339910       -0.6349251424
H             0.8811420425        1.9137226360       -1.2148352520
H             0.0672392504        0.6015226336       -1.1521322030
O            -0.0425501273       -2.7814972320        0.0055628190
H             0.6284495565       -2.2001971970        0.4350184649
H             0.3145395819       -3.6683631410        0.0134825306
O            -2.3562588230       -1.4399929520        0.7546682971
H            -3.0949540070       -1.8690546150        1.1860566430
H            -1.6699736220       -2.1187608160        0.6468675310
O            -0.6441717509        0.6137896761        1.9337526120
H            -0.3981187961        1.1230122870        1.1523724950
H            -1.3633830550        0.0441609659        1.6331175360
O             1.5326464160       -0.9515425738        1.1248300880
H             0.8736522372       -0.4865907152        1.6699256390
H             1.7078348580       -0.2964913880        0.4388243374
O            -1.0146637260       -0.6959126310       -1.7305434760
H            -0.5940653672       -1.5252185670       -1.4676157990
H            -1.8065980600       -0.6863465373       -1.1813589420
    18
 Energy=    -45.9375357102375
O             0.6520367678        1.1861130170       -0.6348036816
H             0.8872187660        1.9080411280       -1.2166035540
H             0.0687257829        0.5988990698       -1.1521319370
O            -0.0414178464       -2.7799697320        0.0027734293
H             0.6299068761       -2.1993216970        0.4328961450
H             0.3171574679       -3.6662257340        0.0060596835
O            -2.3568242220       -1.4426022940        0.7557814216
H            -3.0926899210       -1.8717561380        1.1918184700
H            -1.6685896780       -2.1195504630        0.6497743509
O            -0.6462614991        0.6159082064        1.9314020020
H            -0.4003343013        1.1239313040        1.1491826210
H            -1.3647972260        0.0450113560        1.6319296200
O             1.5304023420       -0.9514967181        1.1286031310
H             0.8691057307       -0.4852096877        1.6699487930
H             1.7100578270       -0.2969693949        0.4432739944
O            -1.0172453820       -0.6935448181       -1.7300727570
H            -0.5958542718       -1.5219463060       -1.4656130290
H            -1.8093671570       -0.6840372740       -1.1811505250
    18
 Energy=    -45.9365121901943
O             0.6530263720        1.1852994240       -0.6350028664
H             0.8893333186        1.9057476010       -1.2179222620
H             0.0697343452        0.5975171192       -1.1517513120
O            -0.0405764586       -2.7781414160        0.0007411599
H             0.6306294694       -2.1988231720        0.4325476534
H             0.3173813043       -3.6646462120        0.0017505304
O            -2.3551638650       -1.4437405070        0.7586438729
H            -3.0918520190       -1.8722135570        1.1940230110
H            -1.6678213380       -2.1214485680        0.6512461201
O            -0.6477633933        0.6166697829        1.9304134030
H            -0.4018458946        1.1236505910        1.1476299420
H            -1.3666617140        0.0457450499        1.6311144560
O             1.5292164560       -0.9518005920        1.1308282410
H             0.8663723062       -0.4842187734        1.6693817400
H             1.7131880290       -0.2980243350        0.4461487346
O            -1.0190112530       -0.6934157398       -1.7312798940
H            -0.5969631092       -1.5208862670       -1.4645184560
H            -1.8099925000       -0.6819966043       -1.1809258960
    18
 Energy=    -45.9352446064724
O             0.6551409517        1.1838818160       -0.6356949281
H             0.8925028103        1.9033750990       -1.2191582530
H             0.0701127137        0.5972645603       -1.1519405270
O            -0.0395516687       -2.7762571410       -0.0018643317
H             0.6306728404       -2.1983895940        0.4335552702
H             0.3178839724       -3.6629643800       -0.0022597919
O            -2.3526950530       -1.4449363590        0.7624912537
H            -3.0907786460       -1.8730412750        1.1959195540
H            -1.6673392300       -2.1240381030        0.6510527322
O            -0.6498035945        0.6175070872        1.9291773960
H            -0.4026226151        1.1234990320        1.1461226370
H            -1.3689838340        0.0468204331        1.6302267070
O             1.5288169570       -0.9516039218        1.1330863720
H             0.8644143725       -0.4841449251        1.6697108470
H             1.7137147690       -0.2980753412        0.4483178718
O            -1.0201869480       -0.6928185134       -1.7310814410
H            -0.5991537460       -1.5208090760       -1.4642276650
H            -1.8109139970       -0.6799955732       -1.1803655270
    18
 Energy=    -45.9340055481774
O             0.6585493543        1.1812813580       -0.6373226843
H             0.8962924358        1.9021787820       -1.2193895250
H             0.0713958387        0.5969586281       -1.1534955780
O            -0.0386588660       -2.7753086820       -0.0045210645
H             0.6298693144       -2.1975174040        0.4339224234
H             0.3202157519       -3.6613931500       -0.0078433071
O            -2.3513907740       -1.4468399940        0.7652796155
H            -3.0883571480       -1.8761970770        1.1990066500
H            -1.6668609910       -2.1261249920        0.6511019134
O            -0.6519664829        0.6204077072        1.9266226840
H            -0.4022726877        1.1230656610        1.1421875530
H            -1.3703160370        0.0482752965        1.6286381500
O             1.5275781730       -0.9515571070        1.1366604240
H             0.8628661484       -0.4845050707        1.6730718720
H             1.7116983640       -0.2983412965        0.4512758128
O            -1.0222403590       -0.6912924598       -1.7297143590
H            -0.6025188643       -1.5202286940       -1.4638826980
H            -1.8126531160       -0.6775876810       -1.1785297050
    18
 Energy=    -45.9320893840097
O             0.6635317545        1.1779781290       -0.6395543971
H             0.9057261582        1.8970203300       -1.2220065180
H             0.0737304744        0.5966840272       -1.1563825680
O            -0.0379387906       -2.7739511900       -0.0076794529
H             0.6286707393       -2.1957647710        0.4331804053
H             0.3242728090       -3.6587152690       -0.0146201729
O            -2.3503797500       -1.4497885260        0.7682075674
H            -3.0855261020       -1.8812208920        1.2030546790
H            -1.6649576170       -2.1278445600        0.6513732657
O            -0.6554270713        0.6235399897        1.9249031980
H            -0.4043609145        1.1245881100        1.1398313790
H            -1.3712378850        0.0483775758        1.6272256160
O             1.5252393020       -0.9510399898        1.1401356410
H             0.8619606714       -0.4848798550        1.6785780050
H             1.7058515750       -0.2971632792        0.4542187544
O            -1.0254400090       -0.6890036001       -1.7279564700
H            -0.6072299582       -1.5192253210       -1.4636157300
H            -1.8152553330       -0.6743170827       -1.1758250230
    18
 Energy=    -45.9296583044175
O             0.6675197636        1.1753134020       -0.6416875952
H             0.9122303220        1.8942992160       -1.2232596900
H             0.0764585995        0.5961476830       -1.1592809620
O            -0.0378560838       -2.7737192650       -0.0097220671
H             0.6273497069       -2.1941941220        0.4314554520
H             0.3283933151       -3.6567762370       -0.0206042441
O            -2.3507205280       -1.4524881450        0.7692760264
H            -3.0829128590       -1.8862100990        1.2067485350
H            -1.6631487000       -2.1282853120        0.6524590275
O            -0.6578094860        0.6271636793        1.9230083430
H            -0.4054819160        1.1252358430        1.1365205980
H            -1.3708622850        0.0485412514        1.6255817480
O             1.5224870460       -0.9512183323        1.1435099130
H             0.8616202265       -0.4847836007        1.6845213670
H             1.7009865150       -0.2971065195        0.4572697545
O            -1.0286376250       -0.6871445220       -1.7265894030
H            -0.6109866678       -1.5179420490       -1.4630710320
H            -1.8173992890       -0.6715590474       -1.1730675920
    18
 Energy=    -45.9282280936166
O             0.6686830160        1.1750245410       -0.6429944180
H             0.9111821273        1.8960492770       -1.2229447200
H             0.0777653069        0.5955105537       -1.1606947510
O            -0.0380674963       -2.7738314690       -0.0098021435
H             0.6271278283       -2.1941789840        0.4310606956
H             0.3295860279       -3.6563503420       -0.0223193554
O            -2.3513304120       -1.4533144950        0.7689028043
H            -3.0829454610       -1.8873116780        1.2079180310
H            -1.6623707440       -2.1278336570        0.6528654415
O            -0.6576197979        0.6285928778        1.9228264850
H            -0.4055376028        1.1241631820        1.1351124630
H            -1.3700899930        0.0489875902        1.6250087700
O             1.5206732820       -0.9524767664        1.1444314450
H             0.8613250866       -0.4841179247        1.6864422490
H             1.7017116690       -0.2981298622        0.4589925541
O            -1.0297572680       -0.6871866419       -1.7267352330
H            -0.6115516515       -1.5176601680       -1.4627649840
H            -1.8175538620       -0.6706622098       -1.1722371570
    18
 Energy=    -45.9249107079738
O             0.6728461852        1.1707499630       -0.6445519440
H             0.9195853834        1.8914302740       -1.2225195210
H             0.0785769435        0.5947712111       -1.1620849790
O            -0.0345901096       -2.7733886660       -0.0118158322
H             0.6283742114       -2.1950884260        0.4338939850
H             0.3328737507       -3.6559136260       -0.0246799670
O            -2.3534479820       -1.4569862160        0.7665387648
H            -3.0807197910       -1.8906172210        1.2128621290
H            -1.6625989690       -2.1296708980        0.6501983019
O            -0.6579194868        0.6307070913        1.9223759810
H            -0.4038130356        1.1243483870        1.1337718170
H            -1.3720676760        0.0528634196        1.6243764500
O             1.5192399110       -0.9504110931        1.1433466120
H             0.8596082794       -0.4870345725        1.6890128990
H             1.6933190550       -0.2929561135        0.4589811760
O            -1.0338211080       -0.6839954029       -1.7248493930
H            -0.6126720254       -1.5132416670       -1.4619990830
H            -1.8215434820       -0.6702926180       -1.1697892200
    18
 Energy=    -45.9227679834146
O             0.6745980551        1.1687229620       -0.6442984275
H             0.9257987283        1.8870230000       -1.2233700860
H             0.0786025402        0.5949417461       -1.1621748200
O            -0.0331430370       -2.7730331310       -0.0127971733
H             0.6289005205       -2.1948889300        0.4347861933
H             0.3341867689       -3.6556382950       -0.0253777554
O            -2.3539013140       -1.4582419860        0.7658649325
H            -3.0792565590       -1.8923520030        1.2146485710
H            -1.6629742060       -2.1307676580        0.6491055064
O            -0.6586891760        0.6311312445        1.9221278720
H            -0.4041194099        1.1258337840        1.1343357850
H            -1.3729230220        0.0538622002        1.6243108680
O             1.5197419300       -0.9485428083        1.1427019570
H             0.8590578671       -0.4890155747        1.6897920940
H             1.6877407670       -0.2897516246        0.4579540873
O            -1.0355162280       -0.6822735191       -1.7238479220
H            -0.6134481979       -1.5113619940       -1.4617828980
H            -1.8234259730       -0.6703735883       -1.1689106070
    18
 Energy=    -45.9217312599797
O             0.6753150538        1.1678683140       -0.6440840589
H             0.9283372783        1.8852316100       -1.2238470680
H             0.0785151742        0.5950630590       -1.1622111650
O            -0.0327050990       -2.7729149950       -0.0129224985
H             0.6293182427       -2.1946870910        0.4348173309
H             0.3346571472       -3.6555389550       -0.0256309803
O            -2.3539598780       -1.4586824070        0.7656986001
H            -3.0786577580       -1.8930200500        1.2152956020
H            -1.6632068710       -2.1312584440        0.6485813152
O            -0.6591219760        0.6312235202        1.9220262950
H            -0.4042094371        1.1264357460        1.1347356100
H            -1.3733443580        0.0542321588        1.6243268260
O             1.5199403820       -0.9477585674        1.1425051840
H             0.8588853719       -0.4897036291        1.6901168050
H             1.6854884510       -0.2885633518        0.4574330352
O            -1.0361410980       -0.6815716139       -1.7234331590
H            -0.6137540148       -1.5106461240       -1.4617135430
H            -1.8241265570       -0.6704353554       -1.1686259530
    18
 Energy=    -45.9192846999635
O             0.6769479920        1.1661402180       -0.6435009547
H             0.9378370223        1.8782806120       -1.2263194980
H             0.0774320869        0.5957295946       -1.1616060380
O            -0.0320609563       -2.7724411330       -0.0121128093
H             0.6311636099       -2.1933563900        0.4326903036
H             0.3357409777       -3.6548252620       -0.0259708007
O            -2.3535706890       -1.4601076240        0.7659645679
H            -3.0770400980       -1.8946513640        1.2165195090
H            -1.6634677350       -2.1325932750        0.6471026795
O            -0.6617213003        0.6311130165        1.9229940470
H            -0.4050467385        1.1284174440        1.1375451960
H            -1.3750197970        0.0545011618        1.6238976860
O             1.5203057960       -0.9453796600        1.1413938850
H             0.8593087231       -0.4907772997        1.6915080510
H             1.6785579750       -0.2855145161        0.4549859976
O            -1.0375678620       -0.6799595274       -1.7221894520
H            -0.6146971057       -1.5087734250       -1.4616503110
H            -1.8258718470       -0.6705287457       -1.1681838820
    18
 Energy=    -45.9139535818497
O             0.6792249028        1.1637470030       -0.6440955229
H             0.9478592702        1.8719285350       -1.2281909880
H             0.0749917362        0.5967771409       -1.1602960740
O            -0.0314300621       -2.7719531880       -0.0093808257
H             0.6354337848       -2.1919415190        0.4287704519
H             0.3369760500       -3.6540405790       -0.0263915451
O            -2.3532470530       -1.4622730920        0.7658085076
H            -3.0759887130       -1.8962044980        1.2189395730
H            -1.6633909790       -2.1350101160        0.6439829462
O            -0.6655119302        0.6323354871        1.9254627100
H            -0.4035552764        1.1280061310        1.1406572710
H            -1.3783185550        0.0565158025        1.6218644200
O             1.5193407470       -0.9433745760        1.1395445280
H             0.8600491813       -0.4911409068        1.6936948380
H             1.6715525880       -0.2831386069        0.4520917168
O            -1.0393136070       -0.6778909411       -1.7207682820
H            -0.6150543121       -1.5063951260       -1.4611643090
H            -1.8283877170       -0.6706731267       -1.1674612370
    18
 Energy=    -45.9129441125934
O             0.6794274153        1.1638569420       -0.6443914662
H             0.9484427289        1.8716129570       -1.2280913870
H             0.0748603091        0.5967196462       -1.1599217100
O            -0.0314848597       -2.7718539940       -0.0088148684
H             0.6360412823       -2.1918062540        0.4284312501
H             0.3369818008       -3.6538373920       -0.0264581158
O            -2.3531678110       -1.4625239640        0.7660234167
H            -3.0761137400       -1.8961975800        1.2190673320
H            -1.6633490730       -2.1352059420        0.6434665987
O            -0.6651406164        0.6325588464        1.9256450650
H            -0.4041800559        1.1281549140        1.1407654150
H            -1.3782637910        0.0566389188        1.6215425080
O             1.5194372850       -0.9435147268        1.1393005070
H             0.8598971832       -0.4913951256        1.6938808150
H             1.6709957490       -0.2830356543        0.4520531099
O            -1.0395530160       -0.6778277821       -1.7207378660
H            -0.6150327362       -1.5064116740       -1.4612264050
H            -1.8285679990       -0.6706583107       -1.1674660230
    18
 Energy=    -45.9057900422413
O             0.6770826617        1.1641370470       -0.6415371893
H             0.9542242174        1.8687820570       -1.2269788380
H             0.0712298157        0.5981246863       -1.1565966400
O            -0.0306849188       -2.7719171710       -0.0108311526
H             0.6355050018       -2.1915981450        0.4274714984
H             0.3375538904       -3.6538920410       -0.0260303511
O            -2.3534986370       -1.4646903790        0.7644902151
H            -3.0753453110       -1.8967376530        1.2203029210
H            -1.6617525020       -2.1357902630        0.6450227636
O            -0.6683115371        0.6355618143        1.9249403130
H            -0.4009404237        1.1256790130        1.1399196900
H            -1.3797553580        0.0588579065        1.6161013300
O             1.5195451630       -0.9436640941        1.1376757860
H             0.8629915410       -0.4916536349        1.6954238730
H             1.6683401300       -0.2821722943        0.4498809210
O            -1.0394832260       -0.6775257876       -1.7193145670
H            -0.6150925879       -1.5051474020       -1.4601496020
H            -1.8303778660       -0.6710798341       -1.1667227940
    18
 Energy=    -45.8931653160770
O             0.6748025450        1.1655734130       -0.6381008056
H             0.9813989256        1.8474022290       -1.2343750800
H             0.0664644760        0.6010460631       -1.1519801990
O            -0.0294048295       -2.7701785280       -0.0171789559
H             0.6328389916       -2.1874332010        0.4252756747
H             0.3394546656       -3.6520209420       -0.0244245515
O            -2.3524748710       -1.4671033690        0.7634253735
H            -3.0729373540       -1.9001731480        1.2205736360
H            -1.6574103420       -2.1357237770        0.6501835868
O            -0.6785390948        0.6348478406        1.9290297470
H            -0.4052248044        1.1307369750        1.1495827440
H            -1.3822854210        0.0551849320        1.6110871380
O             1.5194565700       -0.9394235816        1.1303757580
H             0.8703411046       -0.4918103937        1.6993189720
H             1.6555977660       -0.2751861505        0.4429662008
O            -1.0414446760       -0.6754365849       -1.7172501310
H            -0.6170687965       -1.5043010110       -1.4590411940
H            -1.8323348020       -0.6707269401       -1.1663997350
    18
 Energy=    -45.8908689021277
O             0.6749659272        1.1657036190       -0.6376462259
H             0.9856509469        1.8437785780       -1.2362206350
H             0.0661594539        0.6013659148       -1.1518804530
O            -0.0290919129       -2.7696182340       -0.0177480069
H             0.6324867953       -2.1867304760        0.4249214450
H             0.3396767717       -3.6516143390       -0.0242297290
O            -2.3522446630       -1.4670917500        0.7635914283
H            -3.0725942990       -1.9007647200        1.2203865040
H            -1.6569035040       -2.1356978080        0.6507917715
O            -0.6798549364        0.6341207530        1.9299884100
H            -0.4067979295        1.1322888740        1.1515965760
H            -1.3824861550        0.0540128619        1.6111910690
O             1.5190384370       -0.9386016607        1.1292284900
H             0.8713073525       -0.4919178106        1.6997808400
H             1.6536378500       -0.2738982792        0.4420122684
O            -1.0417558790       -0.6750750775       -1.7172350830
H            -0.6175085269       -1.5043946430       -1.4590612700
H            -1.8324556740       -0.6705919790       -1.1663992230
    18
 Energy=    -45.8892509831272
O             0.6763481599        1.1651946830       -0.6390007674
H             0.9907965381        1.8389238070       -1.2401341700
H             0.0671480136        0.6016746554       -1.1529882600
O            -0.0289802393       -2.7687305340       -0.0179563615
H             0.6325981623       -2.1854384500        0.4246608763
H             0.3399586980       -3.6509000020       -0.0240047268
O            -2.3518028530       -1.4666502000        0.7641499156
H            -3.0723579080       -1.9014508620        1.2197991690
H            -1.6566409900       -2.1354381220        0.6509902020
O            -0.6810240869        0.6320297537        1.9327871880
H            -0.4104563466        1.1351251740        1.1565669630
H            -1.3830081000        0.0513551364        1.6131887860
O             1.5180592570       -0.9374766391        1.1276221900
H             0.8716043649       -0.4914733707        1.7001951340
H             1.6515492600       -0.2719491173        0.4409393528
O            -1.0419681840       -0.6750729530       -1.7176881000
H            -0.6183166696       -1.5043202570       -1.4595336220
H            -1.8322770210       -0.6701288781       -1.1665255920
    18
 Energy=    -45.8863080533388
O             0.6754753646        1.1651952890       -0.6372127624
H             0.9916888801        1.8375009430       -1.2398699940
H             0.0669835542        0.6022134652       -1.1527944410
O            -0.0287641929       -2.7686879060       -0.0181686997
H             0.6325167597       -2.1854088540        0.4245161582
H             0.3399016259       -3.6509686850       -0.0240664568
O            -2.3514407780       -1.4664574130        0.7643371744
H            -3.0720652330       -1.9017711280        1.2198391090
H            -1.6567450220       -2.1355330050        0.6514343463
O            -0.6805507331        0.6316528982        1.9316398970
H            -0.4102015134        1.1360570490        1.1549809560
H            -1.3835722800        0.0510776940        1.6129822960
O             1.5176123750       -0.9376138603        1.1269827930
H             0.8721505826       -0.4911535570        1.7011113220
H             1.6510112980       -0.2714800428        0.4408054447
O            -1.0418432560       -0.6746490829       -1.7173304090
H            -0.6187009261       -1.5043882400       -1.4595829190
H            -1.8322264510       -0.6703117380       -1.1665356350
    18
 Energy=    -45.8792724856395
O             0.6766114725        1.1649178400       -0.6386474126
H             1.0011109210        1.8293671780       -1.2458178440
H             0.0685878090        0.6016007365       -1.1541739290
O            -0.0290465168       -2.7680082940       -0.0189868377
H             0.6308998177       -2.1838677950        0.4229333530
H             0.3405242584       -3.6495247970       -0.0235756996
O            -2.3502307540       -1.4662497790        0.7657983170
H            -3.0715204880       -1.9026222780        1.2186326160
H            -1.6559525220       -2.1348029310        0.6518995386
O            -0.6804965847        0.6271917515        1.9353123770
H            -0.4180217149        1.1409609490        1.1624575070
H            -1.3841253880        0.0477677122        1.6153828530
O             1.5192789110       -0.9346258133        1.1257882210
H             0.8719288393       -0.4900922450        1.7018167250
H             1.6458500930       -0.2686405121        0.4389157392
O            -1.0413891810       -0.6736343182       -1.7178841200
H            -0.6196490125       -1.5048022290       -1.4603031240
H            -1.8331299050       -0.6696613506       -1.1664801020
    18
 Energy=    -45.8711735838433
O             0.6748504458        1.1662541610       -0.6374689069
H             1.0098287670        1.8216152210       -1.2478698060
H             0.0692593425        0.6007813406       -1.1529088520
O            -0.0302627034       -2.7677150360       -0.0202038491
H             0.6288778456       -2.1828267230        0.4208997765
H             0.3412107368       -3.6488500710       -0.0232591046
O            -2.3488389000       -1.4656239330        0.7675942755
H            -3.0712457760       -1.9035405770        1.2178768090
H            -1.6542831370       -2.1350208290        0.6525615211
O            -0.6777341668        0.6234972801        1.9346936100
H            -0.4254781849        1.1460200750        1.1644905950
H            -1.3838983890        0.0462583396        1.6151928860
O             1.5219661760       -0.9318302026        1.1270932030
H             0.8731620278       -0.4905827684        1.7022071770
H             1.6396468010       -0.2659236340        0.4369176077
O            -1.0415904460       -0.6729575575       -1.7161286620
H            -0.6208530334       -1.5047689310       -1.4612545720
H            -1.8333873510       -0.6695123297       -1.1673655310
    18
 Energy=    -45.8617447452992
O             0.6729518168        1.1674710810       -0.6365057019
H             1.0136204550        1.8193839030       -1.2473476200
H             0.0688264042        0.5994356976       -1.1513126640
O            -0.0312866516       -2.7684999080       -0.0212989887
H             0.6272540668       -2.1826795400        0.4196808312
H             0.3415460911       -3.6485690290       -0.0230899895
O            -2.3480764290       -1.4661302610        0.7684895173
H            -3.0711385600       -1.9035746270        1.2176120720
H            -1.6532933640       -2.1348296190        0.6529646868
O            -0.6756759426        0.6220900907        1.9329600160
H            -0.4284620507        1.1475991610        1.1639081080
H            -1.3834927630        0.0467883556        1.6140290380
O             1.5250532120       -0.9301519482        1.1286978630
H             0.8736071336       -0.4908639374        1.7021246740
H             1.6362752320       -0.2654368418        0.4363160542
O            -1.0413040420       -0.6722799369       -1.7151103120
H            -0.6208987359       -1.5049562410       -1.4615050540
H            -1.8342758190       -0.6695225737       -1.1675443510
    18
 Energy=    -45.8567789608566
O             0.6730435249        1.1677662090       -0.6371208773
H             1.0158854790        1.8183337330       -1.2482940040
H             0.0688515363        0.5987236089       -1.1509361290
O            -0.0318073226       -2.7686421580       -0.0217241112
H             0.6266494272       -2.1823516020        0.4192834736
H             0.3417853922       -3.6481917060       -0.0229213834
O            -2.3479844880       -1.4662999150        0.7688201985
H            -3.0711656830       -1.9036510360        1.2173545110
H            -1.6527649710       -2.1346267640        0.6530133088
O            -0.6760059091        0.6216925380        1.9336336190
H            -0.4302229193        1.1483589600        1.1654147210
H            -1.3828670690        0.0463308728        1.6141541910
O             1.5264181480       -0.9290944716        1.1295932620
H             0.8735837214       -0.4914572260        1.7014251910
H             1.6346955190       -0.2650007738        0.4357074350
O            -1.0415582500       -0.6722672426       -1.7150646510
H            -0.6208504312       -1.5050332440       -1.4616059920
H            -1.8344556510       -0.6693159579       -1.1676645860
    18
 Energy=    -45.8496060201618
O             0.6719263675        1.1691300570       -0.6349486798
H             1.0172930210        1.8184362380       -1.2467273030
H             0.0677542671        0.5984551588       -1.1479571630
O            -0.0324293069       -2.7680648550       -0.0211089145
H             0.6274297966       -2.1820317020        0.4194285992
H             0.3416493638       -3.6479989980       -0.0231204759
O            -2.3478366430       -1.4663671460        0.7696308424
H            -3.0716141540       -1.9039934350        1.2173555170
H            -1.6523609750       -2.1349167800        0.6527941126
O            -0.6760749330        0.6239309083        1.9311882400
H            -0.4313679405        1.1499882590        1.1618544000
H            -1.3797942760        0.0458878653        1.6128268250
O             1.5282447120       -0.9291116391        1.1289540380
H             0.8736637979       -0.4946708518        1.7010816180
H             1.6327094080       -0.2654740327        0.4365053220
O            -1.0419781450       -0.6734438183       -1.7151237440
H            -0.6213120483       -1.5050789990       -1.4619981580
H            -1.8346722580       -0.6694024035       -1.1675668980
    18
 Energy=    -45.8334095559057
O             0.6713495968        1.1711019220       -0.6327763977
H             1.0227465050        1.8149403670       -1.2464773980
H             0.0671362366        0.5989933919       -1.1429782580
O            -0.0327451822       -2.7653917660       -0.0183146803
H             0.6311103153       -2.1799856180        0.4201811012
H             0.3410163517       -3.6469336090       -0.0237056687
O            -2.3468374160       -1.4671921170        0.7724122051
H            -3.0720817040       -1.9046818190        1.2164576670
H            -1.6529485350       -2.1345776920        0.6517528726
O            -0.6758794952        0.6265269535        1.9282467330
H            -0.4371958180        1.1565133840        1.1586575490
H            -1.3743326680        0.0419660193        1.6128655350
O             1.5276382980       -0.9319161388        1.1262013440
H             0.8742047510       -0.5005841067        1.7014284000
H             1.6288744150       -0.2627653793        0.4364930507
O            -1.0432605530       -0.6745402727       -1.7172628850
H            -0.6224813661       -1.5070228420       -1.4630902410
H            -1.8350836760       -0.6691768503       -1.1670227500
    18
 Energy=    -45.8097793562189
O             0.6770874474        1.1710010280       -0.6366560714
H             1.0373565060        1.8034272850       -1.2574273760
H             0.0694012010        0.5989077212       -1.1436603290
O            -0.0311987415       -2.7622014410       -0.0145022698
H             0.6355927683       -2.1751538090        0.4205591253
H             0.3399754470       -3.6421981040       -0.0238425615
O            -2.3456064080       -1.4657655750        0.7761119716
H            -3.0730076980       -1.9064978660        1.2142867920
H            -1.6527131120       -2.1342652140        0.6497347314
O            -0.6777434413        0.6231181383        1.9345411120
H            -0.4526207580        1.1681364120        1.1716480550
H            -1.3706079300        0.0320574220        1.6195591220
O             1.5229400980       -0.9318170744        1.1191517720
H             0.8743370497       -0.5043042018        1.7018001810
H             1.6227507410       -0.2568179997        0.4354721217
O            -1.0453122740       -0.6764793056       -1.7209047630
H            -0.6251414931       -1.5084370090       -1.4655735010
H            -1.8342593480       -0.6674365827       -1.1672299350
    18
 Energy=    -45.7821119725132
O             0.6849923639        1.1688242680       -0.6448589837
H             1.0533183630        1.7888896810       -1.2729324770
H             0.0740088581        0.5986752530       -1.1495004840
O            -0.0295429044       -2.7577273180       -0.0116925108
H             0.6383992020       -2.1703211720        0.4199989818
H             0.3400945675       -3.6389112550       -0.0235066328
O            -2.3440134880       -1.4639744790        0.7791825339
H            -3.0733883750       -1.9080337340        1.2117431670
H            -1.6525465920       -2.1334941140        0.6479157078
O            -0.6783784603        0.6141472827        1.9460147830
H            -0.4702617729        1.1789990880        1.1934065580
H            -1.3719008240        0.0219798813        1.6289759220
O             1.5159387380       -0.9302672288        1.1118779560
H             0.8742593902       -0.5023996892        1.7031362060
H             1.6176772700       -0.2495911888        0.4333258519
O            -1.0464834550       -0.6768464685       -1.7240868020
H            -0.6276606678       -1.5094158060       -1.4680533590
H            -1.8332821590       -0.6652591745       -1.1678782410
    18
 Energy=    -45.7746754150238
O             0.6874691172        1.1675094420       -0.6481240214
H             1.0575805490        1.7849844850       -1.2781601440
H             0.0758051679        0.5985970576       -1.1521465750
O            -0.0288734495       -2.7564613040       -0.0112640832
H             0.6381835550       -2.1693617040        0.4194459718
H             0.3403751042       -3.6381857510       -0.0232437621
O            -2.3438650230       -1.4632832040        0.7796880386
H            -3.0733358840       -1.9083289360        1.2110143630
H            -1.6522283130       -2.1333695500        0.6475184453
O            -0.6786248539        0.6108940933        1.9506307370
H            -0.4751236225        1.1809820210        1.2012990770
H            -1.3732065180        0.0196584780        1.6317265430
O             1.5142959950       -0.9292086971        1.1102725860
H             0.8739568499       -0.5007010508        1.7034325910
H             1.6165966770       -0.2477491284        0.4324557836
O            -1.0466957400       -0.6766834565       -1.7246493710
H            -0.6281618497       -1.5094189670       -1.4685925280
H            -1.8329177080       -0.6646000037       -1.1682354750
    18
 Energy=    -45.7541237685192
O             0.6827804518        1.1689391700       -0.6398143285
H             1.0502150660        1.7889535620       -1.2700340860
H             0.0743993484        0.6019104457       -1.1472674360
O            -0.0281790026       -2.7570240560       -0.0096505174
H             0.6398436421       -2.1712137300        0.4201708440
H             0.3390496385       -3.6381510150       -0.0239983655
O            -2.3443316550       -1.4634885380        0.7801464056
H            -3.0730304570       -1.9082485570        1.2117267070
H            -1.6531802710       -2.1347729610        0.6476207541
O            -0.6753461564        0.6169024647        1.9449372810
H            -0.4710401090        1.1787368530        1.1850807690
H            -1.3695719630        0.0236720247        1.6250042730
O             1.5148697350       -0.9332352627        1.1101586390
H             0.8746244088       -0.5048713355        1.7048268620
H             1.6182400950       -0.2495880101        0.4339881089
O            -1.0465910470       -0.6769936423       -1.7239202000
H            -0.6284332676       -1.5101471450       -1.4681658940
H            -1.8330884040       -0.6661064423       -1.1677416390
    18
 Energy=    -45.6141078487937
O             0.7086080060        1.1631007040       -0.6652144810
H             1.0792533300        1.7640627500       -1.3106921730
H             0.0851346589        0.5991954707       -1.1669575300
O            -0.0325877503       -2.7506594670       -0.0123286159
H             0.6395695354       -2.1619682410        0.4200275658
H             0.3439499162       -3.6327110900       -0.0206127762
O            -2.3432227400       -1.4625097150        0.7806879215
H            -3.0730443500       -1.9115172620        1.2063595620
H            -1.6528200450       -2.1285167090        0.6466168131
O            -0.6953911155        0.6034589727        1.9925450760
H            -0.4999725966        1.1879121490        1.2413583680
H            -1.3687053230        0.0051877314        1.6442400720
O             1.5148401360       -0.9168024577        1.1064605720
H             0.8683043273       -0.5033476958        1.6965142970
H             1.6082794840       -0.2407131742        0.4250215821
O            -1.0496917330       -0.6796049606       -1.7328417080
H            -0.6301224620       -1.5090032880       -1.4699806250
H            -1.8311512240       -0.6602898915       -1.1681357410
    18
 Energy=    -45.5510239086749
O             0.7437302611        1.1477106790       -0.7181858089
H             1.1317747300        1.7243690450       -1.3772453680
H             0.1053730609        0.5915087895       -1.1995841910
O            -0.0301629755       -2.7442288190       -0.0155203461
H             0.6316861552       -2.1492495630        0.4146924251
H             0.3492906782       -3.6214967000       -0.0153905641
O            -2.3435618500       -1.4577796980        0.7819889903
H            -3.0726558360       -1.9143015420        1.1978730140
H            -1.6474266470       -2.1221144500        0.6439982266
O            -0.7176134526        0.5688650366        2.0552639580
H            -0.5470336970        1.2056276850        1.3504088150
H            -1.3824176110       -0.0256621446        1.6831538940
O             1.5102731730       -0.8952299366        1.0988672600
H             0.8589339329       -0.4842292979        1.6900825060
H             1.5941048620       -0.2220350148        0.4100439768
O            -1.0531541700       -0.6792643298       -1.7424387790
H            -0.6319057630       -1.5067935980       -1.4737555810
H            -1.8280047970       -0.6504223161       -1.1711842490
    18
 Energy=    -45.3986636628417
O             0.7558388397        1.1422276900       -0.7411548087
H             1.1560819820        1.7117784290       -1.4021877110
H             0.1102729610        0.5825573557       -1.2117906260
O            -0.0301039122       -2.7432694510       -0.0196426230
H             0.6256289220       -2.1447175290        0.4124697375
H             0.3524694791       -3.6191633100       -0.0132570508
O            -2.3435347860       -1.4555048880        0.7815785297
H            -3.0736193940       -1.9157613780        1.1956887420
H            -1.6438521060       -2.1177693050        0.6442966544
O            -0.7302242244        0.5543580282        2.0748297480
H            -0.5550962370        1.2171920850        1.3913491570
H            -1.3938549340       -0.0450465103        1.7051889340
O             1.5108179180       -0.8846173681        1.0989512150
H             0.8543680637       -0.4730330415        1.6863198860
H             1.5882607090       -0.2149259137        0.4039224616
O            -1.0544279370       -0.6790449830       -1.7465393260
H            -0.6312210353       -1.5048491540       -1.4750896170
H            -1.8265742550       -0.6451369313       -1.1718651230
    18
 Energy=    -45.3834354467540
O             0.7530150832        1.1432017370       -0.7381771141
H             1.1531325330        1.7143886540       -1.3974750690
H             0.1087146786        0.5821594658       -1.2099028910
O            -0.0298084349       -2.7440743480       -0.0198345871
H             0.6251276460       -2.1459958800        0.4124758294
H             0.3521790777       -3.6201081450       -0.0136136590
O            -2.3432902180       -1.4554781220        0.7813567610
H            -3.0738998070       -1.9157511720        1.1965310610
H            -1.6439456510       -2.1178900560        0.6447848825
O            -0.7290770450        0.5555716177        2.0705493240
H            -0.5501152610        1.2165985700        1.3832169440
H            -1.3945328720       -0.0437919223        1.7037430690
O             1.5111494370       -0.8858043091        1.0999516770
H             0.8548265982       -0.4727504408        1.6869482660
H             1.5893263780       -0.2159579467        0.4047674148
O            -1.0539860210       -0.6788404487       -1.7457673530
H            -0.6309141145       -1.5047030730       -1.4748754130
H            -1.8266719520       -0.6455003559       -1.1716109640
    18
 Energy=    -45.2753433611151
O             0.8026338334        1.1222406190       -0.8115382775
H             1.2236038180        1.6512616630       -1.4895862980
H             0.1378324296        0.5715117151       -1.2663033880
O            -0.0280652285       -2.7351861390       -0.0245836235
H             0.6203645994       -2.1244192150        0.4044986907
H             0.3594081849       -3.6093207060       -0.0069790820
O            -2.3378065220       -1.4504644410        0.7842640575
H            -3.0723075250       -1.9164959990        1.1843613710
H            -1.6391594810       -2.1111606800        0.6389919730
O            -0.7351193903        0.4856107908        2.1483155850
H            -0.6339770366        1.2367095160        1.5509907540
H            -1.4239919740       -0.0697724923        1.7546290840
O             1.4841725990       -0.8574802674        1.0829280830
H             0.8529618319       -0.4312739778        1.6865642940
H             1.5739091890       -0.1881512315        0.3891300076
O            -1.0524966580       -0.6727003514       -1.7520734780
H            -0.6358201212       -1.5016593890       -1.4823551990
H            -1.8249124950       -0.6339755901       -1.1781863770
    18
 Energy=    -45.2619078165986
O             0.8200379293        1.1164897190       -0.8331963513
H             1.2438932330        1.6325101550       -1.5186064860
H             0.1472104505        0.5708126827       -1.2813084360
O            -0.0276972344       -2.7309379060       -0.0242663654
H             0.6202143323       -2.1175966520        0.4027092103
H             0.3613087812       -3.6042433390       -0.0048037236
O            -2.3368109870       -1.4493359340        0.7849189767
H            -3.0719887060       -1.9172274770        1.1802277830
H            -1.6382065210       -2.1094782510        0.6366322720
O            -0.7399572384        0.4705198096        2.1747922450
H            -0.6628418615        1.2420118450        1.6029841070
H            -1.4265654660       -0.0780331099        1.7673928060
O             1.4793545080       -0.8495324564        1.0773437030
H             0.8507893636       -0.4255153678        1.6844988560
H             1.5680146100       -0.1802107182        0.3835776953
O            -1.0535990510       -0.6726483444       -1.7556244790
H            -0.6375978202       -1.5014203320       -1.4842542590
H            -1.8243282690       -0.6308904997       -1.1799493750
    18
 Energy=    -45.2605628793638
O             0.8240305354        1.1152304370       -0.8381491690
H             1.2485102920        1.6284281560       -1.5251588490
H             0.1492770292        0.5706729153       -1.2844692290
O            -0.0276237542       -2.7299128170       -0.0241321519
H             0.6201915987       -2.1160528870        0.4023411383
H             0.3617331596       -3.6030311090       -0.0043057228
O            -2.3365995590       -1.4490766850        0.7850053982
H            -3.0719871960       -1.9174468380        1.1793146450
H            -1.6379854300       -2.1090868440        0.6360893418
O            -0.7414546151        0.4676565727        2.1805884870
H            -0.6692066254        1.2432568710        1.6148383990
H            -1.4268574670       -0.0802230241        1.7703390540
O             1.4785590780       -0.8477938997        1.0761191840
H             0.8501665161       -0.4245723302        1.6839021460
H             1.5666036900       -0.1784384364        0.3822579766
O            -1.0539462570       -0.6727570558       -1.7565350170
H            -0.6379854139       -1.5013850810       -1.4846568000
H            -1.8241955280       -0.6301941195       -1.1803206530
    18
 Energy=    -45.2429206561731
O             0.8488773430        1.1073400060       -0.8688407873
H             1.2772516360        1.6028108400       -1.5660576100
H             0.1621876933        0.5697653255       -1.3044975680
O            -0.0271602730       -2.7236106890       -0.0233716161
H             0.6200490311       -2.1064326180        0.4000068061
H             0.3643818176       -3.5955442440       -0.0012089869
O            -2.3352714290       -1.4474745270        0.7856299807
H            -3.0718793340       -1.9187451090        1.1735886750
H            -1.6366222180       -2.1066640790        0.6327150536
O            -0.7501450326        0.4487919699        2.2173458430
H            -0.7091069217        1.2513598430        1.6883055940
H            -1.4291379710       -0.0935152626        1.7885043730
O             1.4732377410       -0.8368777026        1.0684320380
H             0.8464484369       -0.4182685636        1.6803414480
H             1.5579029660       -0.1673717786        0.3741174442
O            -1.0559985010       -0.6732771740       -1.7620806230
H            -0.6404171005       -1.5011554340       -1.4871938910
H            -1.8233678320       -0.6258569787       -1.1826679940
    18
 Energy=    -45.2406949586995
O             0.8890803084        1.0948986020       -0.9189775314
H             1.3235224890        1.5625707460       -1.6314870670
H             0.1828149256        0.5685955468       -1.3349434530
O            -0.0265064189       -2.7130049360       -0.0217331554
H             0.6198882482       -2.0909536550        0.3965056927
H             0.3686249795       -3.5831097660        0.0038135382
O            -2.3332419690       -1.4448882900        0.7862023808
H            -3.0721848430       -1.9211845210        1.1645397590
H            -1.6343814140       -2.1026777470        0.6272307039
O            -0.7673832923        0.4237230439        2.2735810280
H            -0.7721662845        1.2627141840        1.8082275440
H            -1.4302983600       -0.1166097034        1.8185286300
O             1.4667020330       -0.8197107161        1.0563683190
H             0.8395748563       -0.4106020361        1.6736995110
H             1.5433957830       -0.1497533331        0.3605928724
O            -1.0599402830       -0.6749904171       -1.7717178530
H            -0.6442405322       -1.5008631470       -1.4911058840
H            -1.8220301720       -0.6188800299       -1.1862568580
    18
 Energy=    -45.2399958488161
O             0.8972555841        1.0916781430       -0.9313917241
H             1.3353059400        1.5508591110       -1.6471389510
H             0.1876051477        0.5671973454       -1.3437255670
O            -0.0262103418       -2.7106016780       -0.0219865638
H             0.6191704956       -2.0869491240        0.3956430858
H             0.3699857131       -3.5801666240        0.0052281968
O            -2.3328157230       -1.4438668710        0.7865874953
H            -3.0722849050       -1.9215776120        1.1621019990
H            -1.6336333510       -2.1010892950        0.6264138947
O            -0.7700867492        0.4150552047        2.2864570560
H            -0.7860830108        1.2629882180        1.8386194000
H            -1.4322002780       -0.1220458805        1.8263483130
O             1.4638054620       -0.8142238448        1.0539107110
H             0.8373549809       -0.4054272460        1.6720766390
H             1.5402604400       -0.1449603839        0.3573266181
O            -1.0601625620       -0.6748572422       -1.7740092630
H            -0.6450088118       -1.5005635340       -1.4921274470
H            -1.8210279770       -0.6161748604       -1.1872657140
    18
 Energy=    -45.2406179775879
O             0.9054308598        1.0884576850       -0.9438059167
H             1.3470893920        1.5391474760       -1.6627908350
H             0.1923953697        0.5657991440       -1.3525076810
O            -0.0259142647       -2.7081984210       -0.0222399721
H             0.6184527430       -2.0829445930        0.3947804790
H             0.3713464467       -3.5772234820        0.0066428555
O            -2.3323894770       -1.4428454510        0.7869726097
H            -3.0723849680       -1.9219707040        1.1596642380
H            -1.6328852890       -2.0995008420        0.6255970854
O            -0.7727902062        0.4063873656        2.2993330840
H            -0.7999997371        1.2632622510        1.8690112560
H            -1.4341021960       -0.1274820575        1.8341679960
O             1.4609088910       -0.8087369735        1.0514531020
H             0.8351351055       -0.4002524558        1.6704537670
H             1.5371250980       -0.1401674348        0.3540603638
O            -1.0603848410       -0.6747240674       -1.7763006730
H            -0.6457770914       -1.5002639220       -1.4931490100
H            -1.8200257810       -0.6134696909       -1.1882745700
    18
 Energy=    -45.2420396380958
O             0.9171893566        1.0823647040       -0.9670630064
H             1.3698743180        1.5139831480       -1.6907112690
H             0.2001308617        0.5607590322       -1.3704898030
O            -0.0251619158       -2.7039243530       -0.0238570624
H             0.6157283173       -2.0750766420        0.3934075014
H             0.3744924402       -3.5716921420        0.0097388809
O            -2.3320073120       -1.4401036070        0.7880944278
H            -3.0729101560       -1.9223825900        1.1543152120
H            -1.6309954520       -2.0951880800        0.6252004290
O            -0.7759375329        0.3863787220        2.3207746200
H            -0.8216305526        1.2598465810        1.9271288600
H            -1.4399958890       -0.1388534546        1.8494796180
O             1.4542026480       -0.7959467094        1.0481785110
H             0.8295598113       -0.3851185145        1.6669865860
H             1.5318823450       -0.1303149382        0.3479497012
O            -1.0597898950       -0.6738507279       -1.7808957170
H            -0.6467622659       -1.4992824440       -1.4950499580
H            -1.8166390720       -0.6063241592       -1.1901193550
    18
 Energy=    -45.2510038598063
O             0.9443931731        1.0708409820       -1.0137638010
H             1.4143075720        1.4640790410       -1.7482171300
H             0.2170407082        0.5534257507       -1.4044148600
O            -0.0241652224       -2.6928100470       -0.0247860903
H             0.6120693763       -2.0587699160        0.3914170784
H             0.3806564664       -3.5585074980        0.0161962961
O            -2.3315427510       -1.4349633080        0.7896411564
H            -3.0745539410       -1.9242249920        1.1433403280
H            -1.6279617260       -2.0869269520        0.6236111435
O            -0.7873768044        0.3532381972        2.3700954120
H            -0.8677840730        1.2515737180        2.0430742650
H            -1.4449736920       -0.1608580739        1.8787169690
O             1.4454669410       -0.7711540650        1.0409010710
H             0.8159183527       -0.3637457753        1.6573099000
H             1.5194477190       -0.1108446220        0.3341539286
O            -1.0602416690       -0.6748003800       -1.7922549250
H            -0.6493371598       -1.4977881310       -1.4985675050
H            -1.8101332150       -0.5924901029       -1.1933850590
    18
 Energy=    -45.2527769499540
O             0.9472552258        1.0695925310       -1.0185931520
H             1.4188704930        1.4587947800       -1.7542680230
H             0.2189207678        0.5527799646       -1.4080381330
O            -0.0240110049       -2.6916699460       -0.0248093174
H             0.6117850416       -2.0570248210        0.3912027148
H             0.3812446633       -3.5570499700        0.0168604709
O            -2.3314848640       -1.4344412110        0.7898291494
H            -3.0746812420       -1.9243854900        1.1421686050
H            -1.6276869490       -2.0861170050        0.6234038327
O            -0.7883996970        0.3498023031        2.3753972910
H            -0.8728312581        1.2503541660        2.0551441720
H            -1.4454972200       -0.1627973922        1.8817276790
O             1.4443949140       -0.7686074873        1.0400331830
H             0.8145708338       -0.3615421637        1.6563688220
H             1.5181659280       -0.1087944823        0.3327478973
O            -1.0603424880       -0.6748110554       -1.7933790380
H            -0.6496236486       -1.4977101350       -1.4989295480
H            -1.8094194420       -0.5910987632       -1.1937984280
    18
 Energy=    -45.2619190237473
O             0.9626244515        1.0629290250       -1.0425234410
H             1.4404582150        1.4315926470       -1.7850233950
H             0.2297626668        0.5514138383       -1.4269080910
O            -0.0228030001       -2.6852082070       -0.0234750969
H             0.6121418258       -2.0475348170        0.3900741400
H             0.3836124750       -3.5490633810        0.0200713088
O            -2.3305542640       -1.4322275630        0.7908238312
H            -3.0750140860       -1.9248411260        1.1360707920
H            -1.6272227510       -2.0827269050        0.6216207234
O            -0.7920089492        0.3340212141        2.4043303680
H            -0.9011813089        1.2395704250        2.1148491550
H            -1.4475556670       -0.1679703979        1.8963502040
O             1.4368919430       -0.7567883244        1.0338724080
H             0.8090247935       -0.3520452100        1.6525677000
H             1.5117579940       -0.0983160203        0.3262034793
O            -1.0608758280       -0.6745762292       -1.7984170490
H            -0.6517280240       -1.4979450920       -1.5009078780
H            -1.8061004320       -0.5850100511       -1.1965109810
    18
 Energy=    -45.2689773622331
O             0.9659660962        1.0614201030       -1.0494435990
H             1.4471126160        1.4247405420       -1.7925955220
H             0.2314980156        0.5495591403       -1.4316857860
O            -0.0226215605       -2.6841146610       -0.0241035843
H             0.6111323600       -2.0453864100        0.3896912172
H             0.3845591674       -3.5476111030        0.0209527235
O            -2.3305930510       -1.4314152770        0.7910981596
H            -3.0752186920       -1.9249494550        1.1346089380
H            -1.6265025300       -2.0814351920        0.6215857596
O            -0.7936482996        0.3287203519        2.4093561010
H            -0.9064015628        1.2394258770        2.1316104230
H            -1.4491850860       -0.1724277714        1.9010405210
O             1.4353530610       -0.7531476461        1.0331679470
H             0.8073225289       -0.3476408334        1.6515112040
H             1.5102382830       -0.0955723713        0.3244421010
O            -1.0607508930       -0.6743776020       -1.7997828880
H            -0.6518874686       -1.4976176080       -1.5014197260
H            -1.8051429310       -0.5828962592       -1.1969658120
    18
 Energy=    -45.2723892284234
O             0.9746516818        1.0577213610       -1.0644837560
H             1.4609070840        1.4086936190       -1.8104263980
H             0.2368852961        0.5473034031       -1.4428666730
O            -0.0221045931       -2.6806298250       -0.0242048529
H             0.6103845869       -2.0399826820        0.3889173225
H             0.3863480521       -3.5436226460        0.0229176901
O            -2.3300843730       -1.4298318110        0.7916309897
H            -3.0756585010       -1.9252444480        1.1311488260
H            -1.6257091470       -2.0790302180        0.6208929233
O            -0.7964341992        0.3183036234        2.4240524320
H            -0.9212628596        1.2353316650        2.1684498490
H            -1.4515291290       -0.1784232449        1.9107108590
O             1.4311303050       -0.7456808549        1.0302211780
H             0.8038612087       -0.3400761416        1.6493548510
H             1.5065549800       -0.0892572894        0.3205254967
O            -1.0606490360       -0.6742034108       -1.8027773290
H            -0.6528602666       -1.4972945940       -1.5026621710
H            -1.8032010360       -0.5788026800       -1.1983330600
    18
 Energy=    -45.2762964812094
O             0.9804518118        1.0551843100       -1.0745792650
H             1.4699614030        1.3981581320       -1.8220881510
H             0.2404380273        0.5458868612       -1.4503199900
O            -0.0216126790       -2.6783185540       -0.0240790243
H             0.6101542453       -2.0362562720        0.3883179953
H             0.3874071717       -3.5410075640        0.0241767344
O            -2.3297013520       -1.4288159530        0.7920096761
H            -3.0758727070       -1.9252075630        1.1288489570
H            -1.6251905580       -2.0776468090        0.6202613194
O            -0.7981159272        0.3118152017        2.4331806480
H            -0.9310549921        1.2320175180        2.1928549980
H            -1.4533799900       -0.1821984269        1.9174151620
O             1.4276252050       -0.7411034254        1.0279624450
H             0.8020766908       -0.3349076688        1.6484246880
H             1.5041766870       -0.0849328199        0.3181110115
O            -1.0603928650       -0.6739275227       -1.8045027190
H            -0.6536105980       -1.4971721780       -1.5035588790
H            -1.8021295190       -0.5762934422       -1.1993674290
    18
 Energy=    -45.2870626299714
O             1.0011368680        1.0462052600       -1.1093882480
H             1.5004328660        1.3627041920       -1.8619045740
H             0.2530717326        0.5417409638       -1.4758119130
O            -0.0197481884       -2.6701069370       -0.0228650093
H             0.6103042675       -2.0228970460        0.3858227271
H             0.3907766469       -3.5319682810        0.0285494928
O            -2.3280772150       -1.4255681970        0.7931641118
H            -3.0765696440       -1.9239808990        1.1209231540
H            -1.6233006580       -2.0737897900        0.6171204692
O            -0.8032808085        0.2915876686        2.4627197880
H            -0.9647745920        1.2189541200        2.2757574130
H            -1.4605666180       -0.1945522057        1.9418766150
O             1.4139062760       -0.7267268054        1.0190491610
H             0.7980897034       -0.3180268002        1.6474042860
H             1.4952834090       -0.0695040505        0.3104800873
O            -1.0590906960       -0.6727692539       -1.8093527610
H            -0.6566259046       -1.4971327720       -1.5068051650
H            -1.7997373920       -0.5688953426       -1.2036714560
    18
 Energy=    -45.2891184117191
O             0.9998753589        1.0470240380       -1.1062538640
H             1.4974156930        1.3659040490       -1.8585952870
H             0.2523678129        0.5426010893       -1.4734193140
O            -0.0199246438       -2.6706343390       -0.0226566504
H             0.6104941730       -2.0239625010        0.3860125475
H             0.3904249602       -3.5324157030        0.0282380789
O            -2.3281061140       -1.4259498760        0.7929460722
H            -3.0765474410       -1.9240229750        1.1215549060
H            -1.6236204770       -2.0742473290        0.6171786225
O            -0.8029292158        0.2942980491        2.4607476300
H            -0.9624195301        1.2194155490        2.2681079460
H            -1.4593834850       -0.1928932493        1.9397539780
O             1.4154787310       -0.7281315694        1.0196689220
H             0.7985746410       -0.3207047101        1.6475533590
H             1.4955959960       -0.0707937455        0.3110948630
O            -1.0594738920       -0.6729664972       -1.8089937320
H            -0.6564302145       -1.4973686860       -1.5064117790
H            -1.8001622980       -0.5698777691       -1.2034581210
    18
 Energy=    -45.2949566935066
O             1.0168247860        1.0392128570       -1.1361956120
H             1.5244810770        1.3328776310       -1.8920905970
H             0.2644231411        0.5382941374       -1.4968863970
O            -0.0194343730       -2.6650723370       -0.0254509073
H             0.6048603847       -2.0132082780        0.3833138027
H             0.3960405859       -3.5240530790        0.0344267142
O            -2.3281079560       -1.4207360080        0.7950022107
H            -3.0783713060       -1.9234097680        1.1120513420
H            -1.6222544740       -2.0669217750        0.6167655892
O            -0.8039804640        0.2756217438        2.4842411490
H            -0.9930781728        1.2040577180        2.3415995720
H            -1.4633391510       -0.2044809836        1.9602879160
O             1.4100210150       -0.7113977887        1.0153759560
H             0.7963196857       -0.3057289137        1.6476196620
H             1.4845107120       -0.0557189821        0.3046297317
O            -1.0603364130       -0.6733992753       -1.8152836780
H            -0.6574865556       -1.4959632960       -1.5072225470
H            -1.7998624680       -0.5646997766       -1.2091157280
    18
 Energy=    -45.2960256174595
O             1.0168134000        1.0378721920       -1.1402299440
H             1.5296080880        1.3240536520       -1.8954336730
H             0.2644332165        0.5370927596       -1.5016453570
O            -0.0193990097       -2.6608538090       -0.0227573588
H             0.6065841714       -2.0089036010        0.3838869896
H             0.3956560964       -3.5199511700        0.0362884170
O            -2.3288070370       -1.4190788350        0.7946843428
H            -3.0805051980       -1.9219929670        1.1080253910
H            -1.6228931030       -2.0653012550        0.6168877431
O            -0.8020861120        0.2702754655        2.4875459870
H            -0.9976593418        1.1988621290        2.3572154680
H            -1.4622684000       -0.2078607677        1.9629168820
O             1.4114265460       -0.7072840405        1.0152556760
H             0.7965406675       -0.3025528127        1.6467439690
H             1.4830073090       -0.0530435940        0.3026761710
O            -1.0606063730       -0.6752207325       -1.8183668330
H            -0.6585560913       -1.4969298080       -1.5077054220
H            -1.8000587750       -0.5639089806       -1.2129202720
    18
 Energy=    -45.2970266039739
O             1.0126573230        1.0368963650       -1.1403416530
H             1.5263481910        1.3203648420       -1.8960025180
H             0.2613969795        0.5339021312       -1.5012261410
O            -0.0184392043       -2.6563492800       -0.0199110695
H             0.6079728532       -2.0042875280        0.3863303685
H             0.3954466594       -3.5158266860        0.0419513081
O            -2.3316078560       -1.4148695490        0.7888855938
H            -3.0826966390       -1.9177993960        1.1037276320
H            -1.6245615540       -2.0606243160        0.6139193542
O            -0.8000477690        0.2632125949        2.4912571380
H            -0.9928870420        1.1931709980        2.3666945250
H            -1.4616132740       -0.2094399579        1.9634705280
O             1.4158253940       -0.7048310814        1.0148602740
H             0.8014043326       -0.3032105915        1.6486298910
H             1.4829252950       -0.0497286897        0.3025208922
O            -1.0598700360       -0.6794915156       -1.8230176480
H            -0.6583245862       -1.4994095260       -1.5066597460
H            -1.8026990110       -0.5664049884       -1.2220205500
    18
 Energy=    -45.2974841564064
O             1.0073242550        1.0374992750       -1.1407589700
H             1.5201505720        1.3281099740       -1.8942537130
H             0.2596706117        0.5314957910       -1.5049669470
O            -0.0190508056       -2.6586235110       -0.0184458136
H             0.6070874026       -2.0058229660        0.3868603191
H             0.3933750893       -3.5184387200        0.0481269171
O            -2.3285840300       -1.4086043710        0.7862363951
H            -3.0827246320       -1.9092635070        1.0974143020
H            -1.6232635080       -2.0566567270        0.6126116525
O            -0.7977962270        0.2609048009        2.4974966130
H            -0.9901977054        1.1918395750        2.3798904830
H            -1.4595834460       -0.2075577687        1.9662983790
O             1.4143683620       -0.7046196195        1.0136682990
H             0.8014538424       -0.3031781650        1.6489919920
H             1.4800732290       -0.0493138952        0.3013880782
O            -1.0576167960       -0.6857427677       -1.8291466680
H            -0.6549942983       -1.5050097280       -1.5125763920
H            -1.7984618610       -0.5717438453       -1.2257667510
    18
 Energy=    -45.2974841563920
O             1.0073243282        1.0374992883       -1.1407590966
H             1.5201506190        1.3281099062       -1.8942538910
H             0.2596706409        0.5314958199       -1.5049670028
O            -0.0190508108       -2.6586234983       -0.0184458041
H             0.6070873923       -2.0058229563        0.3868603313
H             0.3933750918       -3.5184387039        0.0481269097
O            -2.3285840902       -1.4086044041        0.7862363874
H            -3.0827246684       -1.9092635876        1.0974142748
H            -1.6232635347       -2.0566567278        0.6126116540
O            -0.7977962483        0.2609047466        2.4974967248
H            -0.9901976364        1.1918395569        2.3798907303
H            -1.4595835080       -0.2075576993        1.9662984362
O             1.4143683389       -0.7046195765        1.0136683147
H             0.8014538041       -0.3031781434        1.6489920051
H             1.4800732331       -0.0493138479        0.3013881048
O            -1.0576167739       -0.6857427560       -1.8291466865
H            -0.6549942437       -1.5050096997       -1.5125764085
H            -1.7984618791       -0.5717438927       -1.2257668084
    18
 Energy=    -45.2958560042991
O             0.9964279291        1.0384639083       -1.1398588145
H             1.5082884676        1.3393307431       -1.8900178021
H             0.2557627310        0.5257514865       -1.5091667239
O            -0.0204220990       -2.6583001999       -0.0125903817
H             0.6074269074       -2.0055214849        0.3902018990
H             0.3879001119       -3.5194330698        0.0613452981
O            -2.3283095406       -1.3976093350        0.7802360519
H            -3.0861997296       -1.8961814507        1.0858617378
H            -1.6242596412       -2.0480811029        0.6104150597
O            -0.7913326430        0.2542365313        2.5046321627
H            -0.9833887289        1.1869449032        2.4006910372
H            -1.4556587933       -0.2061125231        1.9697243265
O             1.4173278521       -0.7036540179        1.0116086601
H             0.8066710527       -0.3034040078        1.6497947552
H             1.4777855271       -0.0480963026        0.2989937852
O            -1.0521050890       -0.6978299658       -1.8405558100
H            -0.6493012699       -1.5145059601       -1.5174881715
H            -1.7953829885       -0.5807243303       -1.2407588913
    18
 Energy=    -45.2947241354506
O             0.9975307616        1.0355836174       -1.1403751321
H             1.5059811803        1.3433793405       -1.8899208973
H             0.2558270190        0.5257227908       -1.5110848572
O            -0.0198849366       -2.6572206164       -0.0110349520
H             0.6079939997       -2.0039674189        0.3912303219
H             0.3897648206       -3.5179054832        0.0613997753
O            -2.3294110209       -1.3956535594        0.7787611072
H            -3.0867234316       -1.8951964825        1.0844150484
H            -1.6243811602       -2.0451544941        0.6093589975
O            -0.7899959505        0.2537731549        2.5035075412
H            -0.9836032216        1.1867386895        2.4025957885
H            -1.4553922963       -0.2061725954        1.9694536496
O             1.4188657320       -0.7049673835        1.0138613144
H             0.8065752927       -0.3045463758        1.6504517694
H             1.4814212962       -0.0498163195        0.3012549085
O            -1.0538638214       -0.7009926619       -1.8421722820
H            -0.6522525037       -1.5169042735       -1.5157143649
H            -1.7972217031       -0.5814261061       -1.2429195595
    18
 Energy=    -45.2933323196413
O             0.9981952904        1.0322436490       -1.1419200214
H             1.5029573950        1.3440685141       -1.8918959328
H             0.2563821568        0.5213479847       -1.5113915449
O            -0.0187169752       -2.6564031353       -0.0146397441
H             0.6080998038       -2.0042226218        0.3909026473
H             0.3904538336       -3.5172859031        0.0574596443
O            -2.3258331568       -1.3928122175        0.7780085829
H            -3.0837731316       -1.8898136800        1.0855380363
H            -1.6221747230       -2.0439810597        0.6088245307
O            -0.7920406009        0.2547194898        2.5046151414
H            -0.9872589013        1.1878421552        2.4106352906
H            -1.4560148342       -0.2030132319        1.9665944837
O             1.4185861990       -0.7059334152        1.0174716801
H             0.8072038246       -0.3037717446        1.6538912999
H             1.4827420554       -0.0512573823        0.3046684869
O            -1.0552951436       -0.7030384639       -1.8433970781
H            -0.6535237376       -1.5193420849       -1.5180732720
H            -1.7987592987       -0.5840730291       -1.2442240546
    18
 Energy=    -45.2902125191234
O             0.9995362072        1.0244579848       -1.1486924179
H             1.5079639073        1.3307706489       -1.8986496438
H             0.2586596347        0.5123932241       -1.5184551006
O            -0.0172251320       -2.6549162279       -0.0191791033
H             0.6080128948       -2.0020408514        0.3871743286
H             0.3930174564       -3.5152547195        0.0528882825
O            -2.3194265183       -1.3863955838        0.7763531170
H            -3.0782687042       -1.8809273412        1.0853379806
H            -1.6175794412       -2.0397350106        0.6078585176
O            -0.7950501659        0.2524260705        2.5175259866
H            -0.9959572316        1.1859557314        2.4436272220
H            -1.4562463912       -0.1987240132        1.9708449031
O             1.4135725281       -0.7002850256        1.0191054815
H             0.8033794373       -0.2997274069        1.6575097257
H             1.4746702923       -0.0458361842        0.3056141843
O            -1.0564577383       -0.7069894557       -1.8509795649
H            -0.6534906485       -1.5225750797       -1.5254533996
H            -1.7978803309       -0.5873229374       -1.2493623220
    18
 Energy=    -45.2851221397568
O             1.0069478697        1.0122187375       -1.1702838039
H             1.5255258091        1.3010321562       -1.9202162330
H             0.2631258632        0.5029212961       -1.5380485579
O            -0.0148350793       -2.6485195809       -0.0181211004
H             0.6066638749       -1.9915694113        0.3883525994
H             0.3980618226       -3.5072206803        0.0589266107
O            -2.3195517970       -1.3790669499        0.7732280869
H            -3.0783997569       -1.8754087547        1.0799906856
H            -1.6167563691       -2.0311325980        0.6042976292
O            -0.7968506740        0.2360338614        2.5418266446
H            -1.0096692558        1.1696005839        2.5032648388
H            -1.4572660744       -0.2039773559        1.9855695960
O             1.4037463027       -0.6858640472        1.0153130541
H             0.7963665085       -0.2862722566        1.6568645248
H             1.4637385326       -0.0323338604        0.3007345722
O            -1.0555747322       -0.7100456448       -1.8619931667
H            -0.6532990762       -1.5242711535       -1.5321518962
H            -1.7907437130       -0.5808505169       -1.2544859076
    18
 Energy=    -45.2833133163760
O             1.0058805540        1.0121556867       -1.1726385880
H             1.5258341094        1.2968617713       -1.9233947371
H             0.2622878140        0.5015337549       -1.5393869167
O            -0.0137971503       -2.6483034131       -0.0191241120
H             0.6066939238       -1.9919095733        0.3895953048
H             0.3988646655       -3.5071524872        0.0576005535
O            -2.3189382863       -1.3772026158        0.7732454470
H            -3.0772971094       -1.8741248554        1.0807196310
H            -1.6158806816       -2.0288473363        0.6030414702
O            -0.7971540491        0.2366250435        2.5456255866
H            -1.0134262174        1.1691796343        2.5105056298
H            -1.4557328482       -0.2040843508        1.9875301719
O             1.4016786324       -0.6861547271        1.0159336896
H             0.7953399219       -0.2851487939        1.6576785945
H             1.4625123634       -0.0331420590        0.3009883113
O            -1.0546592342       -0.7101040585       -1.8641272000
H            -0.6517370798       -1.5241235873       -1.5347759208
H            -1.7892392722       -0.5807842098       -1.2559487397
    18
 Energy=    -45.2807102024839
O             1.0001743673        1.0157847341       -1.1690304824
H             1.5228244550        1.2961696786       -1.9197357933
H             0.2596010907        0.5015490781       -1.5368488007
O            -0.0133374827       -2.6506411498       -0.0218815595
H             0.6069707190       -1.9955117899        0.3886813318
H             0.3993982105       -3.5096962795        0.0521538673
O            -2.3154069161       -1.3755950875        0.7747649712
H            -3.0732382993       -1.8725702127        1.0832389045
H            -1.6136382441       -2.0279833450        0.6025104848
O            -0.7964978560        0.2431224704        2.5465839089
H            -1.0133200815        1.1751900290        2.5064026110
H            -1.4524458269       -0.2004468778        1.9875816378
O             1.3995152522       -0.6896473007        1.0185219853
H             0.7930215774       -0.2890028350        1.6603355559
H             1.4589289627       -0.0366530402        0.3034557846
O            -1.0534753627       -0.7103832562       -1.8663167750
H            -0.6491865608       -1.5244839298       -1.5389729702
H            -1.7886579499       -0.5839270637       -1.2583764849
    18
 Energy=    -45.2791173025404
O             0.9992414904        1.0173187115       -1.1723341165
H             1.5278980223        1.2878764257       -1.9219653206
H             0.2595369172        0.5023009534       -1.5406190200
O            -0.0135571745       -2.6504649594       -0.0224160684
H             0.6058191365       -1.9942795588        0.3877124656
H             0.4001760890       -3.5088832589        0.0527953757
O            -2.3136684630       -1.3739749570        0.7755678373
H            -3.0718218050       -1.8716444651        1.0815960080
H            -1.6129439324       -2.0270674674        0.6022046861
O            -0.7956500143        0.2414270811        2.5508298301
H            -1.0143068156        1.1727149595        2.5162583326
H            -1.4531549394       -0.2004339057        1.9924290051
O             1.3967840689       -0.6869309029        1.0183062297
H             0.7909397273       -0.2870865102        1.6610967466
H             1.4537772203       -0.0348641328        0.3021755829
O            -1.0522273410       -0.7114743092       -1.8688721486
H            -0.6485018773       -1.5256223278       -1.5407333409
H            -1.7871102529       -0.5836375514       -1.2609639084
    18
 Energy=    -45.2682153688184
O             1.0046927654        1.0185885479       -1.1911963569
H             1.5531200249        1.2523070600       -1.9397481205
H             0.2602714256        0.5081624901       -1.5559697578
O            -0.0146317006       -2.6471790102       -0.0245957512
H             0.5996111608       -1.9866062526        0.3871705323
H             0.3997184372       -3.5044951587        0.0607308961
O            -2.3087073293       -1.3676785573        0.7764576598
H            -3.0713633761       -1.8648079703        1.0727220910
H            -1.6089184852       -2.0213465371        0.6006235914
O            -0.7964476786        0.2260583664        2.5736903767
H            -1.0249378716        1.1563864775        2.5622803341
H            -1.4602392411       -0.2113051937        2.0182606692
O             1.3880898520       -0.6720955652        1.0110144954
H             0.7892632320       -0.2716021081        1.6601707579
H             1.4395229811       -0.0201658637        0.2939108699
O            -1.0494465943       -0.7182392692       -1.8794584717
H            -0.6459587977       -1.5286208320       -1.5419694736
H            -1.7824087476       -0.5820867996       -1.2710261654
    18
 Energy=    -45.2638318173954
O             1.0067985749        1.0200268482       -1.1965052567
H             1.5621946639        1.2416577301       -1.9437232310
H             0.2621250706        0.5087718034       -1.5599725351
O            -0.0143570321       -2.6456424063       -0.0251660844
H             0.5988789074       -1.9844280266        0.3861422806
H             0.3987718473       -3.5030965703        0.0637757152
O            -2.3080054702       -1.3659389474        0.7782031506
H            -3.0728561027       -1.8632843908        1.0685949099
H            -1.6072360861       -2.0187684974        0.6022257255
O            -0.7968741855        0.2219569146        2.5809096067
H            -1.0289775699        1.1513656199        2.5760293485
H            -1.4600634161       -0.2151609469        2.0250227328
O             1.3853193111       -0.6672599798        1.0064652642
H             0.7880243560       -0.2691201279        1.6583921487
H             1.4350607661       -0.0134076715        0.2909898689
O            -1.0494115261       -0.7201902333       -1.8819824507
H            -0.6450592252       -1.5289926877       -1.5419153076
H            -1.7831028269       -0.5832146062       -1.2744177099
    18
 Energy=    -45.2577408366580
O             1.0084182399        1.0230692477       -1.2027304790
H             1.5741909000        1.2281809080       -1.9464907365
H             0.2660429845        0.5081986239       -1.5653927746
O            -0.0143368957       -2.6437840190       -0.0247709725
H             0.5998748541       -1.9810438669        0.3831685231
H             0.3979421702       -3.5012803604        0.0678343525
O            -2.3079550421       -1.3637075994        0.7807897834
H            -3.0748965080       -1.8626948957        1.0626746842
H            -1.6060416916       -2.0154366909        0.6051818928
O            -0.7965684837        0.2172904961        2.5907575938
H            -1.0338277886        1.1452207665        2.5925062614
H            -1.4584707776       -0.2186470974        2.0325359626
O             1.3820430123       -0.6612176887        1.0002452619
H             0.7851748556       -0.2675882935        1.6551828437
H             1.4283677153       -0.0047111491        0.2868055409
O            -1.0492159450       -0.7215988338       -1.8840665204
H            -0.6446637225       -1.5294070131       -1.5422952985
H            -1.7848478217       -0.5855687118       -1.2788677426
    18
 Energy=    -45.2544629553213
O             1.0088098659        1.0245214552       -1.2050076326
H             1.5789680452        1.2226480420       -1.9472876198
H             0.2678133781        0.5079044285       -1.5679062034
O            -0.0143648203       -2.6429396819       -0.0243204383
H             0.6003192331       -1.9796208631        0.3814996573
H             0.3975586719       -3.5004402160        0.0694385534
O            -2.3076726023       -1.3627636202        0.7822285536
H            -3.0754131262       -1.8626307390        1.0599633229
H            -1.6058145174       -2.0144043410        0.6067639266
O            -0.7960054607        0.2155394459        2.5942937946
H            -1.0351685844        1.1426348218        2.5987294004
H            -1.4575204033       -0.2197405837        2.0352637692
O             1.3802950709       -0.6585968165        0.9979941908
H             0.7833877116       -0.2675317240        1.6542004553
H             1.4251827075       -0.0010768405        0.2853862912
O            -1.0490036684       -0.7219526408       -1.8848293715
H            -0.6445283429       -1.5297028088       -1.5425982394
H            -1.7856131008       -0.5865734957       -1.2807442337
    18
 Energy=    -45.2523898771713
O             1.0067477525        1.0263320978       -1.2028540424
H             1.5796405629        1.2218666670       -1.9437931554
H             0.2676863075        0.5085749168       -1.5673865009
O            -0.0145648626       -2.6438118861       -0.0249093984
H             0.6012446547       -1.9803178379        0.3793302753
H             0.3973460726       -3.5015048257        0.0681752247
O            -2.3063489718       -1.3621342866        0.7833981009
H            -3.0741324698       -1.8627027653        1.0596372374
H            -1.6053897559       -2.0146039308        0.6079481070
O            -0.7953985682        0.2173616499        2.5950325830
H            -1.0336957585        1.1448454181        2.5958740148
H            -1.4562577542       -0.2183695508        2.0355916710
O             1.3789598596       -0.6587770142        0.9974853295
H             0.7821182759       -0.2697730414        1.6547045918
H             1.4226705503       -0.0005190305        0.2855234123
O            -1.0486335425       -0.7221661128       -1.8847970644
H            -0.6442418768       -1.5303937102       -1.5437147257
H            -1.7865204185       -0.5886329341       -1.2821774829
    18
 Energy=    -45.2510967824675
O             1.0062934555        1.0269037685       -1.2027247027
H             1.5810100325        1.2203949342       -1.9429258781
H             0.2681056642        0.5086716726       -1.5683887892
O            -0.0145382693       -2.6438137585       -0.0246610329
H             0.6015709156       -1.9799442477        0.3781401766
H             0.3975768545       -3.5013470683        0.0684581672
O            -2.3061114830       -1.3619328107        0.7842081179
H            -3.0739377350       -1.8631686896        1.0588278071
H            -1.6056601990       -2.0146573828        0.6085082355
O            -0.7949282030        0.2172824853        2.5953000132
H            -1.0328346390        1.1445290483        2.5972215463
H            -1.4560867761       -0.2177131443        2.0356526565
O             1.3780212997       -0.6580917829        0.9971490602
H             0.7812361072       -0.2700767854        1.6548345698
H             1.4209970558        0.0001607128        0.2850757271
O            -1.0483364002       -0.7221423250       -1.8848373768
H            -0.6444300132       -1.5309955090       -1.5440814906
H            -1.7867176112       -0.5887852933       -1.2826886311
    18
 Energy=    -45.2486529022942
O             1.0031305182        1.0285607876       -1.1985411941
H             1.5816826199        1.2210456078       -1.9364141375
H             0.2668177461        0.5098236814       -1.5678327237
O            -0.0139269833       -2.6456278601       -0.0259926044
H             0.6024611453       -1.9811380694        0.3752465444
H             0.3988819750       -3.5026860038        0.0669134465
O            -2.3053397979       -1.3621704080        0.7857323957
H            -3.0729060379       -1.8645770873        1.0594185225
H            -1.6053914624       -2.0150898986        0.6091625837
O            -0.7943934707        0.2198654442        2.5940681455
H            -1.0277894548        1.1488482772        2.5930919069
H            -1.4557520184       -0.2139279011        2.0336216095
O             1.3764187666       -0.6593165642        0.9972907297
H             0.7801257526       -0.2720023276        1.6560570695
H             1.4170126737       -0.0009899533        0.2847621882
O            -1.0475661289       -0.7224056157       -1.8847543800
H            -0.6450484815       -1.5331503695       -1.5455107013
H            -1.7871873036       -0.5897879141       -1.2832512250
    18
 Energy=    -45.2384900037123
O             1.0067886262        1.0259218166       -1.2073320091
H             1.5956049876        1.2080450743       -1.9387208958
H             0.2710116094        0.5094063349       -1.5796678113
O            -0.0116911243       -2.6431620568       -0.0249193743
H             0.6025553855       -1.9741502296        0.3727543488
H             0.4038603178       -3.4980559374        0.0758376710
O            -2.3117397601       -1.3629625838        0.7866601489
H            -3.0785696008       -1.8701396291        1.0535766978
H            -1.6082628809       -2.0122834267        0.6107544527
O            -0.7939467137        0.2104486398        2.5970626051
H            -1.0258930422        1.1387968683        2.6220034230
H            -1.4598817802       -0.2121450597        2.0339309225
O             1.3740378158       -0.6514565408        0.9936055397
H             0.7788410341       -0.2628117657        1.6529017705
H             1.4087969241        0.0025755997        0.2768652543
O            -1.0453857121       -0.7226547114       -1.8835709271
H            -0.6503381765       -1.5369225709       -1.5451707373
H            -1.7845578536       -0.5831759970       -1.2835029030
    18
 Energy=    -45.2337622311731
O             1.0095765009        1.0242917032       -1.2121789117
H             1.6008299076        1.2028343927       -1.9424293767
H             0.2729811598        0.5086211424       -1.5843756822
O            -0.0110970592       -2.6416042041       -0.0239480607
H             0.6023932445       -1.9710502937        0.3729495960
H             0.4051522403       -3.4957692174        0.0797917838
O            -2.3146624123       -1.3630829490        0.7858591991
H            -3.0812677821       -1.8717235925        1.0512969112
H            -1.6093587230       -2.0109393957        0.6111416335
O            -0.7941313322        0.2059473926        2.5989779517
H            -1.0278604722        1.1331717554        2.6351529173
H            -1.4616851039       -0.2129094936        2.0351244644
O             1.3741276604       -0.6481725237        0.9919727076
H             0.7790813205       -0.2582507927        1.6510111973
H             1.4075941043        0.0043586847        0.2736006146
O            -1.0447750797       -0.7224775058       -1.8832519452
H            -0.6520812888       -1.5375729619       -1.5443536970
H            -1.7835868293       -0.5803983173       -1.2832731289
    18
 Energy=    -45.2263014501520
O             1.0242469525        1.0165746780       -1.2350807261
H             1.6153381823        1.1848886610       -1.9683723113
H             0.2816319726        0.5041013594       -1.6006019130
O            -0.0108577517       -2.6324520272       -0.0173545125
H             0.6005659811       -1.9592359184        0.3777021203
H             0.4052474342       -3.4857446146        0.0951552954
O            -2.3239182873       -1.3617662594        0.7813369584
H            -3.0904995530       -1.8725495890        1.0419521213
H            -1.6138968550       -2.0056049882        0.6116880318
O            -0.7951181365        0.1854250708        2.6104871861
H            -1.0438370578        1.1074750343        2.6787529777
H            -1.4661573863       -0.2262301831        2.0456145924
O             1.3761321249       -0.6343572821        0.9875612978
H             0.7805925242       -0.2414431533        1.6439609796
H             1.4112648538        0.0132495347        0.2647696234
O            -1.0437666726       -0.7204941792       -1.8825930747
H            -0.6550937098       -1.5354915128       -1.5393632465
H            -1.7806445595       -0.5710708078       -1.2825472227
    18
 Energy=    -45.2206196100048
O             1.0328712950        1.0125625130       -1.2484556390
H             1.6225561479        1.1749915910       -1.9846419963
H             0.2873874869        0.5007058642       -1.6094769545
O            -0.0117708757       -2.6268126271       -0.0123438224
H             0.5997312229       -1.9524090984        0.3813281441
H             0.4048404251       -3.4797111265        0.1037401807
O            -2.3286953980       -1.3604945930        0.7775982951
H            -3.0949578280       -1.8724982645        1.0369994922
H            -1.6169699333       -2.0033974459        0.6110025348
O            -0.7958084655        0.1737008555        2.6176418339
H            -1.0542837299        1.0924933152        2.7027584676
H            -1.4690132504       -0.2348521340        2.0529912864
O             1.3774617209       -0.6261482104        0.9848210925
H             0.7817570741       -0.2328454978        1.6398012664
H             1.4154759693        0.0184380401        0.2599962551
O            -1.0440977207       -0.7193402302       -1.8829628461
H            -0.6560123465       -1.5333974642       -1.5361053475
H            -1.7792417389       -0.5657116618       -1.2816240661
    18
 Energy=    -45.2026940736725
O             1.0440802303        1.0088672470       -1.2708634865
H             1.6376287610        1.1564385445       -2.0069976310
H             0.3001927461        0.4926424000       -1.6270091834
O            -0.0139829514       -2.6171755177       -0.0002894096
H             0.5963891081       -1.9384737775        0.3885145461
H             0.4075971749       -3.4673474912        0.1190384864
O            -2.3344003970       -1.3609579454        0.7744025933
H            -3.1012778534       -1.8747610272        1.0281014936
H            -1.6233185659       -2.0043910854        0.6055629322
O            -0.7946759226        0.1548117093        2.6239031244
H            -1.0613158203        1.0674700943        2.7460307915
H            -1.4767990535       -0.2435142549        2.0626645179
O             1.3765960298       -0.6134045689        0.9789398916
H             0.7781698060       -0.2235372612        1.6339443424
H             1.4176238787        0.0309436481        0.2534135152
O            -1.0484545487       -0.7200536956       -1.8871627769
H            -0.6585983848       -1.5297995038       -1.5310304609
H            -1.7742241819       -0.5524836904       -1.2780951100
    18
 Energy=    -45.1975695126679
O             1.0429933156        1.0102323891       -1.2709614247
H             1.6402935516        1.1548026088       -2.0046753620
H             0.3016007582        0.4911542977       -1.6290491333
O            -0.0137390752       -2.6171675970        0.0012859716
H             0.5950936611       -1.9368551826        0.3894281621
H             0.4096975431       -3.4660604392        0.1199101131
O            -2.3338662795       -1.3627375856        0.7756390525
H            -3.1012980315       -1.8764516019        1.0276961235
H            -1.6240205764       -2.0063188494        0.6035147296
O            -0.7936532468        0.1550712907        2.6208002117
H            -1.0565219532        1.0667717553        2.7507018376
H            -1.4788993804       -0.2397022658        2.0607930137
O             1.3751728694       -0.6131936122        0.9776983506
H             0.7761260260       -0.2255257748        1.6333561091
H             1.4148835463        0.0326314185        0.2537879568
O            -1.0502693626       -0.7216921587       -1.8887430348
H            -0.6597879296       -1.5297656744       -1.5311529536
H            -1.7725753788       -0.5499191946       -1.2769615485
    18
 Energy=    -45.1913854211918
O             1.0394396803        1.0119289983       -1.2697350367
H             1.6417120097        1.1550767686       -1.9992084898
H             0.3007308003        0.4905615222       -1.6307732504
O            -0.0145281658       -2.6181158643        0.0027518162
H             0.5939680809       -1.9349843874        0.3893517215
H             0.4113826587       -3.4654373132        0.1195075383
O            -2.3311569050       -1.3645816273        0.7785431066
H            -3.1008712641       -1.8767832916        1.0277099865
H            -1.6231931473       -2.0091196728        0.6007334553
O            -0.7918965796        0.1555526294        2.6188726774
H            -1.0461135565        1.0703790057        2.7443488320
H            -1.4788356250       -0.2385274709        2.0603808267
O             1.3730432347       -0.6137050048        0.9783401768
H             0.7707698875       -0.2306643091        1.6340100448
H             1.4090874338        0.0354007770        0.2576073771
O            -1.0497541026       -0.7220368426       -1.8894333349
H            -0.6611995575       -1.5309056123       -1.5329344303
H            -1.7713548253       -0.5487644829       -1.2770048395
    18
 Energy=    -45.1781978143708
O             1.0514175010        1.0042319099       -1.2906327536
H             1.6472356906        1.1436405235       -2.0253064306
H             0.3054419850        0.4876111138       -1.6438650822
O            -0.0182471171       -2.6088212430        0.0114330783
H             0.5916847514       -1.9251592813        0.3930703469
H             0.4068862626       -3.4564707162        0.1303981593
O            -2.3323630715       -1.3621475625        0.7807236043
H            -3.1069879353       -1.8721003958        1.0181421594
H            -1.6250819327       -2.0075718867        0.6005980526
O            -0.7905854034        0.1394242970        2.6267385677
H            -1.0560035346        1.0485715621        2.7644188677
H            -1.4768348804       -0.2596146616        2.0706558205
O             1.3738188151       -0.6020760950        0.9804853362
H             0.7649511257       -0.2223880566        1.6323267119
H             1.4123842613        0.0465476174        0.2595792177
O            -1.0450020650       -0.7164144342       -1.8865044145
H            -0.6611322527       -1.5283541857       -1.5303685855
H            -1.7703521441       -0.5436346809       -1.2788244808
    18
 Energy=    -45.1683491746179
O             1.0608818960        0.9985284325       -1.3042280539
H             1.6503613204        1.1360040383       -2.0445299443
H             0.3095681186        0.4856791769       -1.6511250226
O            -0.0201540660       -2.6028963632        0.0153008991
H             0.5909444437       -1.9201663386        0.3962408534
H             0.4032048072       -3.4509987760        0.1372453108
O            -2.3356273554       -1.3599380812        0.7775078773
H            -3.1108788812       -1.8699992199        1.0126736392
H            -1.6268619679       -2.0054919784        0.6038298029
O            -0.7903423953        0.1300047371        2.6315194300
H            -1.0702413271        1.0319257496        2.7848696601
H            -1.4765662892       -0.2704393489        2.0763515941
O             1.3761238697       -0.5945171987        0.9806860733
H             0.7654792193       -0.2139598687        1.6302545161
H             1.4190958108        0.0511533627        0.2573981631
O            -1.0427365975       -0.7132024868       -1.8841646591
H            -0.6606549531       -1.5257610081       -1.5274937610
H            -1.7703655987       -0.5406510062       -1.2792682012
    18
 Energy=    -45.1651639955811
O             1.0627626489        0.9974681803       -1.3071844511
H             1.6511014998        1.1343230645       -2.0488412970
H             0.3105138115        0.4851658161       -1.6528410356
O            -0.0206287544       -2.6014569836        0.0159775243
H             0.5907321430       -1.9189360031        0.3968852476
H             0.4022554863       -3.4497875786        0.1387920580
O            -2.3364508495       -1.3594536838        0.7760215415
H            -3.1116074814       -1.8695007074        1.0114874759
H            -1.6271369147       -2.0051640110        0.6052660467
O            -0.7899463902        0.1274585137        2.6330149349
H            -1.0731790067        1.0285145580        2.7885014209
H            -1.4762866876       -0.2729481508        2.0779725779
O             1.3764019714       -0.5928465831        0.9808761915
H             0.7653345528       -0.2121680981        1.6300426002
H             1.4204525269        0.0522091562        0.2570947192
O            -1.0422668148       -0.7125013019       -1.8837744786
H            -0.6604864978       -1.5251352583       -1.5268722453
H            -1.7703351875       -0.5399671060       -1.2793506551
    18
 Energy=    -45.1575661306949
O             1.0633432940        0.9963744711       -1.3084989975
H             1.6522111583        1.1331970378       -2.0512661737
H             0.3115504420        0.4843855935       -1.6539438279
O            -0.0205646076       -2.6005493874        0.0163829920
H             0.5902993834       -1.9182695474        0.3979538746
H             0.4014718723       -3.4497572754        0.1389483265
O            -2.3383378734       -1.3600609678        0.7699361061
H            -3.1113615469       -1.8699624919        1.0119146952
H            -1.6276731770       -2.0052848702        0.6079965716
O            -0.7893194311        0.1272580358        2.6336979865
H            -1.0788674715        1.0258749298        2.7955284025
H            -1.4775743369       -0.2709349328        2.0791044716
O             1.3787104912       -0.5924294637        0.9801394675
H             0.7672674221       -0.2104868060        1.6276171132
H             1.4234953547        0.0520223536        0.2553071272
O            -1.0413332505       -0.7117545545       -1.8826677705
H            -0.6611320495       -1.5247793809       -1.5264563597
H            -1.7709556173       -0.5395689198       -1.2786258294
    18
 Energy=    -45.1514371548082
O             1.0706347839        0.9939417198       -1.3163819603
H             1.6530393841        1.1289735674       -2.0637328406
H             0.3147022944        0.4835465687       -1.6562113486
O            -0.0198743667       -2.5980633125        0.0176240179
H             0.5903505401       -1.9151032357        0.3988055674
H             0.3986731666       -3.4471237275        0.1431082544
O            -2.3406865908       -1.3581513036        0.7706767846
H            -3.1143249184       -1.8688918720        1.0081456507
H            -1.6288117656       -2.0024342417        0.6107885761
O            -0.7901567403        0.1213986913        2.6355763374
H            -1.0878420681        1.0155496268        2.8080526763
H            -1.4768928363       -0.2778954409        2.0799974786
O             1.3789009615       -0.5893502099        0.9797620483
H             0.7693303751       -0.2025062131        1.6275225833
H             1.4267982398        0.0528106208        0.2548452357
O            -1.0435251101       -0.7110553770       -1.8834103808
H            -0.6591399194       -1.5224647069       -1.5231800536
H            -1.7699453722       -0.5379073282       -1.2789204479
    18
 Energy=    -45.1438336975092
O             1.0793932696        0.9906218277       -1.3260650156
H             1.6541449861        1.1238431706       -2.0798891289
H             0.3188351698        0.4829918005       -1.6586918211
O            -0.0202193783       -2.5940682177        0.0187990567
H             0.5910381193       -1.9110314723        0.3997834581
H             0.3960456657       -3.4448525118        0.1487775802
O            -2.3429307527       -1.3554277370        0.7739977740
H            -3.1184198255       -1.8673935281        1.0030222186
H            -1.6302868438       -1.9985732558        0.6132299670
O            -0.7915191892        0.1140118853        2.6375905063
H            -1.0979499827        1.0025046696        2.8227053263
H            -1.4757189973       -0.2876294729        2.0806606326
O             1.3778076091       -0.5856424131        0.9809147750
H             0.7720245620       -0.1929317620        1.6276015947
H             1.4303796432        0.0546184903        0.2538236125
O            -1.0445279603       -0.7120571541       -1.8851775763
H            -0.6569871267       -1.5182204850       -1.5196140089
H            -1.7698789130       -0.5354900100       -1.2784007746
    18
 Energy=    -45.1392835451961
O             1.0824855681        0.9895494536       -1.3292481929
H             1.6543158333        1.1222344931       -2.0850103812
H             0.3200004717        0.4829207090       -1.6593718235
O            -0.0202079697       -2.5928818827        0.0193704786
H             0.5912962215       -1.9100673276        0.3999389812
H             0.3952697372       -3.4438115736        0.1506844359
O            -2.3433820296       -1.3544388093        0.7762922825
H            -3.1199067985       -1.8667440283        1.0012432866
H            -1.6307950395       -1.9970999183        0.6131675797
O            -0.7921606660        0.1115665657        2.6382815333
H            -1.1008854881        0.9983244569        2.8268510711
H            -1.4753164317       -0.2912142700        2.0808819664
O             1.3773024981       -0.5842662382        0.9811880807
H             0.7727771164       -0.1898945004        1.6279314226
H             1.4313921990        0.0551945530        0.2535172041
O            -1.0451140262       -0.7122718338       -1.8857477404
H            -0.6561409826       -1.5170156855       -1.5184192806
H            -1.7697001565       -0.5348103393       -1.2784827269
    18
 Energy=    -45.1360227029639
O             1.0842101961        0.9890481219       -1.3312328297
H             1.6541930667        1.1213876069       -2.0880317557
H             0.3204231960        0.4831651741       -1.6598128518
O            -0.0208546637       -2.5919884272        0.0201326491
H             0.5918972294       -1.9098812278        0.3993098302
H             0.3950967542       -3.4426016792        0.1522113396
O            -2.3427248925       -1.3533765435        0.7804228813
H            -3.1210549784       -1.8658990694        0.9996675641
H            -1.6309341739       -1.9962614535        0.6116741275
O            -0.7922261283        0.1091365290        2.6392414583
H            -1.1008155498        0.9959223590        2.8260082930
H            -1.4745919912       -0.2944807944        2.0813926528
O             1.3757393516       -0.5828451295        0.9819497848
H             0.7720377794       -0.1886782949        1.6296017722
H             1.4310635755        0.0559120872        0.2537550981
O            -1.0452359082       -0.7126186334       -1.8863342903
H            -0.6554038984       -1.5162626461       -1.5180113746
H            -1.7695889075       -0.5344041546       -1.2788761728
    18
 Energy=    -45.1308275184692
O             1.0839018288        0.9887495166       -1.3313510255
H             1.6544137232        1.1213325280       -2.0892051464
H             0.3205669581        0.4835144441       -1.6598534153
O            -0.0219398295       -2.5918794721        0.0212294196
H             0.5929332731       -1.9102980628        0.3980919272
H             0.3953087197       -3.4415099704        0.1527840951
O            -2.3420978584       -1.3534240887        0.7837732195
H            -3.1210492843       -1.8650139368        0.9988160254
H            -1.6310508161       -1.9960241416        0.6097958463
O            -0.7916248543        0.1079813813        2.6397411835
H            -1.0999902841        0.9947364604        2.8236987824
H            -1.4744785741       -0.2951780270        2.0817700644
O             1.3745832144       -0.5818663422        0.9821501745
H             0.7709250963       -0.1885138474        1.6314968472
H             1.4305464045        0.0558191789        0.2540235693
O            -1.0449884828       -0.7126585334       -1.8865370255
H            -0.6550497091       -1.5161667394       -1.5181468396
H            -1.7696794689       -0.5343265249       -1.2792095244
    18
 Energy=    -45.1272898887957
O             1.0893010215        0.9853551138       -1.3344775189
H             1.6544261178        1.1193922622       -2.0942494890
H             0.3212730770        0.4838657282       -1.6601688744
O            -0.0205672778       -2.5911075668        0.0205719374
H             0.5920230401       -1.9110889978        0.4019952246
H             0.3953068622       -3.4413944840        0.1542038481
O            -2.3434011572       -1.3515941666        0.7864258231
H            -3.1231150274       -1.8657222963        0.9979315824
H            -1.6330070882       -1.9936759040        0.6066214477
O            -0.7943131982        0.1076668061        2.6395394549
H            -1.1103317867        0.9885209989        2.8376313687
H            -1.4768513342       -0.2942436154        2.0804720408
O             1.3789405483       -0.5799874034        0.9800251063
H             0.7759576928       -0.1848464603        1.6274720972
H             1.4360164576        0.0561885431        0.2495182204
O            -1.0447600070       -0.7121949837       -1.8847377841
H            -0.6551858048       -1.5159812646       -1.5166956109
H            -1.7704820808       -0.5338784846       -1.2790106987
    18
 Energy=    -45.1182820473384
O             1.0939965450        0.9814679805       -1.3370630679
H             1.6551183431        1.1174378865       -2.1000821155
H             0.3226477801        0.4841185346       -1.6602299143
O            -0.0186672211       -2.5908294390        0.0196660920
H             0.5910134821       -1.9110798950        0.4067163456
H             0.3949479398       -3.4419653278        0.1552290228
O            -2.3461914830       -1.3505995063        0.7859260626
H            -3.1242638740       -1.8663332453        0.9975989344
H            -1.6354765783       -1.9908288441        0.6045118126
O            -0.7981500020        0.1082940286        2.6396143553
H            -1.1224614781        0.9830041732        2.8546298005
H            -1.4796102319       -0.2936145584        2.0796563608
O             1.3851533812       -0.5786573452        0.9765335048
H             0.7822512030       -0.1802905018        1.6218051661
H             1.4425992755        0.0559726159        0.2447142487
O            -1.0446058951       -0.7114623458       -1.8827726388
H            -0.6555419423       -1.5157767119       -1.5149585947
H            -1.7715291879       -0.5335836737       -1.2784271996
    18
 Energy=    -45.1153263085739
O             1.0945972351        0.9810805752       -1.3373160654
H             1.6551912504        1.1172264547       -2.1005918862
H             0.3228095919        0.4841171778       -1.6602420615
O            -0.0179917272       -2.5907700594        0.0186759830
H             0.5902948557       -1.9110006610        0.4080050953
H             0.3948224010       -3.4422658857        0.1553022940
O            -2.3467859084       -1.3506741334        0.7849608802
H            -3.1243490099       -1.8666037282        0.9976372344
H            -1.6356789308       -1.9904573952        0.6053674887
O            -0.7988213571        0.1086069498        2.6392001389
H            -1.1237345064        0.9828874755        2.8573644671
H            -1.4796556949       -0.2936399219        2.0790369265
O             1.3861452076       -0.5786924330        0.9758817995
H             0.7829648243       -0.1798972766        1.6209139831
H             1.4433380649        0.0560552748        0.2443848650
O            -1.0446842395       -0.7115585056       -1.8826901800
H            -0.6556662557       -1.5156867523       -1.5146576004
H            -1.7715657457       -0.5334533300       -1.2781651859
    18
 Energy=    -45.0969414181533
O             1.0988986372        0.9785208692       -1.3407222902
H             1.6559878073        1.1148391395       -2.1068457931
H             0.3251628712        0.4824096572       -1.6599096558
O            -0.0188826556       -2.5902542039        0.0260117808
H             0.5947156808       -1.9102089410        0.4065043164
H             0.3940670053       -3.4426904045        0.1556241197
O            -2.3514305727       -1.3481612122        0.7760023351
H            -3.1247405149       -1.8660379028        1.0003269435
H            -1.6387898953       -1.9872823210        0.5987319277
O            -0.8058330105        0.1094762250        2.6469598612
H            -1.1399268037        0.9796797814        2.8721047496
H            -1.4843956686       -0.2989712385        2.0890866486
O             1.3939595867       -0.5778828648        0.9712761016
H             0.7931200160       -0.1720799497        1.6128533802
H             1.4536380463        0.0528931113        0.2360781732
O            -1.0442280044       -0.7092923876       -1.8797229896
H            -0.6559362506       -1.5146405529       -1.5133007971
H            -1.7741562190       -0.5350429802       -1.2779906357
    18
 Energy=    -45.0849859781459
O             1.1006145141        0.9776557430       -1.3421902195
H             1.6564043614        1.1137875918       -2.1092604964
H             0.3262833068        0.4813582493       -1.6597506494
O            -0.0203179612       -2.5899159460        0.0304289527
H             0.5977085644       -1.9104936977        0.4043735616
H             0.3939725723       -3.4423336583        0.1556025827
O            -2.3532644367       -1.3476607837        0.7718309395
H            -3.1249105104       -1.8658654457        1.0016683609
H            -1.6400543259       -1.9862384215        0.5956706145
O            -0.8080352768        0.1106110764        2.6493988661
H            -1.1476340793        0.9769608526        2.8794667136
H            -1.4871021343       -0.2993645771        2.0931733445
O             1.3969480910       -0.5774504887        0.9692742287
H             0.7975183578       -0.1683066719        1.6101957744
H             1.4585249477        0.0505533942        0.2320097291
O            -1.0439262488       -0.7082112872       -1.8782739526
H            -0.6561116219       -1.5140847735       -1.5127620868
H            -1.7753880648       -0.5357273316       -1.2777880861
    18
 Energy=    -45.0752535785496
O             1.1019416392        0.9768505077       -1.3431544227
H             1.6568088272        1.1130186670       -2.1108326887
H             0.3271120056        0.4806228151       -1.6596677869
O            -0.0214422443       -2.5897761205        0.0334562088
H             0.5997617536       -1.9109153564        0.4027417256
H             0.3940300875       -3.4420190595        0.1554053878
O            -2.3544762047       -1.3477958232        0.7696950423
H            -3.1252079573       -1.8662033774        1.0023712113
H            -1.6407259061       -1.9860060339        0.5940582303
O            -0.8085841588        0.1126543949        2.6486421023
H            -1.1537230568        0.9730140893        2.8873534828
H            -1.4895378472       -0.2967454226        2.0939553961
O             1.3988747115       -0.5772926759        0.9680988367
H             0.8006435282       -0.1655380263        1.6085387578
H             1.4619573289        0.0485561300        0.2291918170
O            -1.0437369169       -0.7074574383       -1.8771189244
H            -0.6563661611       -1.5137733271       -1.5122423797
H            -1.7760993735       -0.5359201185       -1.2774238205
    18
 Energy=    -45.0721405904195
O             1.1023298438        0.9765786757       -1.3433795498
H             1.6569283476        1.1128203627       -2.1111767830
H             0.3273073062        0.4804581868       -1.6596618365
O            -0.0217430285       -2.5897812415        0.0342092384
H             0.6002475456       -1.9110326849        0.4022894923
H             0.3940854018       -3.4419658899        0.1552987203
O            -2.3546956901       -1.3479855040        0.7695758180
H            -3.1253293186       -1.8664135735        1.0024348008
H            -1.6408663245       -1.9860841662        0.5937472166
O            -0.8084123849        0.1135634882        2.6476542656
H            -1.1553809180        0.9713586307        2.8900988409
H            -1.4903044852       -0.2952149465        2.0934824405
O             1.3993105559       -0.5773106856        0.9678710516
H             0.8013872537       -0.1648120762        1.6081978388
H             1.4627418762        0.0479731290        0.2285758978
O            -1.0436668120       -0.7072808883       -1.8767901196
H            -0.6564725724       -1.5137216868       -1.5120859363
H            -1.7762365396       -0.5358753061       -1.2772732215
    18
 Energy=    -45.0679322138715
O             1.1024860688        0.9763262229       -1.3433903149
H             1.6569749216        1.1127793220       -2.1111707389
H             0.3272779545        0.4805149399       -1.6596952666
O            -0.0220882885       -2.5899118526        0.0349600356
H             0.6006248090       -1.9109875724        0.4016000726
H             0.3942478063       -3.4419965838        0.1551421114
O            -2.3541984518       -1.3482296292        0.7712985010
H            -3.1255219171       -1.8666622799        1.0021067951
H            -1.6409559990       -1.9864346511        0.5931286367
O            -0.8076225019        0.1147024872        2.6457303032
H            -1.1558225305        0.9691816279        2.8919450816
H            -1.4909488982       -0.2929965673        2.0920239984
O             1.3991406045       -0.5773980336        0.9681138883
H             0.8013413556       -0.1645379999        1.6084497163
H             1.4625645300        0.0476287634        0.2287096540
O            -1.0434965318       -0.7071734816       -1.8765497588
H            -0.6565531939       -1.5138177643       -1.5120935789
H            -1.7762196822       -0.5357131240       -1.2772409592
    18
 Energy=    -45.0515020787602
O             1.1060697308        0.9748444312       -1.3451033986
H             1.6580436526        1.1111358988       -2.1134695801
H             0.3293389107        0.4787344456       -1.6595878162
O            -0.0205754101       -2.5895934154        0.0318523267
H             0.5992650680       -1.9124856333        0.4058098284
H             0.3937350478       -3.4421544910        0.1545392596
O            -2.3614357183       -1.3502850417        0.7589930316
H            -3.1254299451       -1.8692454007        1.0038244006
H            -1.6400327413       -1.9868226571        0.6010418731
O            -0.8093909875        0.1217321547        2.6379940969
H            -1.1691834391        0.9632926624        2.9186204376
H            -1.4939924783       -0.2850422658        2.0869310999
O             1.4045743935       -0.5782286995        0.9647386390
H             0.8085625286       -0.1604426731        1.6029271447
H             1.4705419716        0.0445906205        0.2233898942
O            -1.0445759545       -0.7071610754       -1.8754203015
H            -0.6577477473       -1.5127885210       -1.5095487100
H            -1.7765368250       -0.5348065169       -1.2744640503
    18
 Energy=    -45.0160395083098
O             1.1089527903        0.9715875094       -1.3457269358
H             1.6601789668        1.1095995051       -2.1164286520
H             0.3319580594        0.4777428195       -1.6593870964
O            -0.0191992290       -2.5898034035        0.0290051222
H             0.5974638292       -1.9136359753        0.4094699236
H             0.3938502345       -3.4430348169        0.1531526532
O            -2.3638102646       -1.3537186001        0.7520959221
H            -3.1280680167       -1.8751300711        1.0044647260
H            -1.6404139773       -1.9878189493        0.6101063621
O            -0.8091882672        0.1361551135        2.6180184544
H            -1.1826975445        0.9490956798        2.9579947892
H            -1.4985121376       -0.2682518991        2.0716967709
O             1.4093193406       -0.5799951732        0.9625061537
H             0.8152340059       -0.1562762065        1.5980112633
H             1.4772514315        0.0408076256        0.2194124096
O            -1.0461347699       -0.7066134224       -1.8734609812
H            -0.6592731628       -1.5126043619       -1.5064451908
H            -1.7756812330       -0.5328315502       -1.2714175175
    18
 Energy=    -45.0111664161403
O             1.1096569232        0.9715996216       -1.3460951658
H             1.6600723745        1.1094012023       -2.1163040300
H             0.3318983555        0.4775006337       -1.6594879096
O            -0.0189768441       -2.5898582181        0.0284147908
H             0.5972404264       -1.9137097270        0.4099973774
H             0.3936621911       -3.4431817613        0.1530745713
O            -2.3654519654       -1.3540494520        0.7510884836
H            -3.1274802397       -1.8749956473        1.0044168456
H            -1.6399538435       -1.9881972448        0.6109983810
O            -0.8085304937        0.1350395622        2.6191340933
H            -1.1843554510        0.9495871907        2.9597868300
H            -1.4993001072       -0.2668295881        2.0701691822
O             1.4100273135       -0.5800928877        0.9622152377
H             0.8160548756       -0.1555162876        1.5974218912
H             1.4780143155        0.0404638918        0.2189407702
O            -1.0459991991       -0.7067473616       -1.8734052939
H            -0.6594936755       -1.5124341923       -1.5062568138
H            -1.7758549002       -0.5327059117       -1.2710410636
    18
 Energy=    -44.9891036549284
O             1.1122063145        0.9689839636       -1.3465000095
H             1.6611686623        1.1084614443       -2.1172534502
H             0.3328224787        0.4772230201       -1.6596408533
O            -0.0195931508       -2.5907626049        0.0296042464
H             0.5975788285       -1.9140466489        0.4092355067
H             0.3944919310       -3.4437736903        0.1515912160
O            -2.3656121805       -1.3572733354        0.7562443059
H            -3.1290080002       -1.8788184354        1.0028376393
H            -1.6398109884       -1.9909568251        0.6134243035
O            -0.8042950253        0.1487628928        2.5986018408
H            -1.1927385108        0.9312506972        2.9885667526
H            -1.5044581793       -0.2470680882        2.0550754466
O             1.4113480382       -0.5815686345        0.9625134647
H             0.8188977319       -0.1526427779        1.5961907240
H             1.4801554428        0.0372452867        0.2179237042
O            -1.0458964328       -0.7062960923       -1.8715575623
H            -0.6607222901       -1.5127346697       -1.5047002790
H            -1.7753046141       -0.5307116791       -1.2690888208
    18
 Energy=    -44.9018013230447
O             1.1162387905        0.9646145733       -1.3470116972
H             1.6630649844        1.1069675834       -2.1189300864
H             0.3344769080        0.4768240867       -1.6598065678
O            -0.0205421699       -2.5921745752        0.0318856081
H             0.5980610444       -1.9146103804        0.4078622149
H             0.3960724178       -3.4446240376        0.1491353156
O            -2.3651885624       -1.3625902176        0.7652327661
H            -3.1318088534       -1.8853330721        1.0002239721
H            -1.6398017778       -1.9953314973        0.6172670303
O            -0.7987876889        0.1745994448        2.5609220920
H            -1.2055130921        0.8989885033        3.0369378396
H            -1.5118067220       -0.2152732847        2.0320059602
O             1.4131332496       -0.5840960358        0.9630198003
H             0.8230830476       -0.1486366569        1.5943903317
H             1.4833334895        0.0321461870        0.2165314552
O            -1.0458553595       -0.7055942249       -1.8685708505
H            -0.6626586734       -1.5132319824       -1.5021328288
H            -1.7742709751       -0.5273705903       -1.2658941786
    18
 Energy=    -44.8669200809140
O             1.1179740589        0.9628711214       -1.3471744789
H             1.6638117771        1.1063582273       -2.1195929632
H             0.3352602149        0.4766218363       -1.6598227813
O            -0.0210619678       -2.5927489998        0.0329979544
H             0.5983041476       -1.9148782133        0.4073488320
H             0.3970755205       -3.4447234445        0.1481577249
O            -2.3650129689       -1.3646894638        0.7694304503
H            -3.1327703663       -1.8881466954        0.9989737544
H            -1.6400033977       -1.9970914772        0.6188642768
O            -0.7989283664        0.1904105278        2.5416512920
H            -1.2083599997        0.8847427886        3.0603037391
H            -1.5140282353       -0.2058251035        2.0217214356
O             1.4134685674       -0.5851588883        0.9631692568
H             0.8241479863       -0.1480411635        1.5940162138
H             1.4844191935        0.0302924990        0.2160393956
O            -1.0459228342       -0.7054027990       -1.8674885366
H            -0.6634043118       -1.5133542487       -1.5010360647
H            -1.7737389619       -0.5259626777       -1.2644913270
    18
 Energy=    -44.8348684783236
O             1.1177943736        0.9628652864       -1.3471565511
H             1.6637534982        1.1063779744       -2.1194992538
H             0.3350857245        0.4767090875       -1.6599327910
O            -0.0213616657       -2.5927714456        0.0331356495
H             0.5986199732       -1.9150434468        0.4068812515
H             0.3968823249       -3.4447376028        0.1481887874
O            -2.3648079667       -1.3644690576        0.7697926554
H            -3.1327081869       -1.8880588845        0.9989014458
H            -1.6401523037       -1.9971743750        0.6184354701
O            -0.7987240578        0.1843616344        2.5459446462
H            -1.2085200777        0.8900064166        3.0598216088
H            -1.5142175718       -0.2059357798        2.0183508740
O             1.4135953797       -0.5848189029        0.9634123771
H             0.8244166888       -0.1472198752        1.5942301365
H             1.4845821003        0.0299721220        0.2157417064
O            -1.0456811666       -0.7052112560       -1.8673280843
H            -0.6634838866       -1.5134629763       -1.5011754683
H            -1.7738431233       -0.5261150948       -1.2646762849
    18
 Energy=    -44.7880396702181
O             1.1201428955        0.9607388078       -1.3473445253
H             1.6646930960        1.1055817858       -2.1203988233
H             0.3363450829        0.4763506872       -1.6598293345
O            -0.0219307569       -2.5934539275        0.0343622932
H             0.5987148482       -1.9153710397        0.4067894672
H             0.3985966602       -3.4445759697        0.1470137413
O            -2.3649450196       -1.3668288187        0.7748507984
H            -3.1337670017       -1.8920343699        0.9972293162
H            -1.6405935530       -1.9993021393        0.6210475237
O            -0.8026465803        0.2155568329        2.5188108487
H            -1.2076745021        0.8677572734        3.0931780985
H            -1.5170611536       -0.1999361229        2.0036102568
O             1.4139118966       -0.5864816688        0.9631447351
H             0.8250206189       -0.1479276486        1.5939017709
H             1.4857981905        0.0280821682        0.2152349663
O            -1.0460596100       -0.7051608665       -1.8662385426
H            -0.6643746361       -1.5134201966       -1.4996059294
H            -1.7729404182       -0.5243009641       -1.2626884845
    18
 Energy=    -44.7574506067899
O             1.1186342124        0.9619702525       -1.3472016271
H             1.6640769453        1.1060469823       -2.1197856187
H             0.3354922032        0.4766283049       -1.6599979570
O            -0.0219072442       -2.5930428213        0.0338170169
H             0.5989500090       -1.9154743744        0.4063894438
H             0.3975128697       -3.4445418529        0.1477423815
O            -2.3647150364       -1.3651438391        0.7723824530
H            -3.1329572700       -1.8898037395        0.9980232096
H            -1.6407026978       -1.9981088129        0.6192468825
O            -0.8018980471        0.1925177405        2.5380277481
H            -1.2070182956        0.8870950384        3.0760337703
H            -1.5150766959       -0.2055580727        2.0067103134
O             1.4138248596       -0.5851481344        0.9634811304
H             0.8248171793       -0.1469892151        1.5943909965
H             1.4852922993        0.0288688068        0.2151469622
O            -1.0456125328       -0.7050042850       -1.8667523600
H            -0.6639700108       -1.5135090645       -1.5006127120
H            -1.7735126910       -0.5255290909       -1.2639738565
    18
 Energy=    -44.7487928280650
O             1.1216071442        0.9595443030       -1.3474524183
H             1.6652700320        1.1051221255       -2.1209685150
H             0.3371181091        0.4760828426       -1.6597199747
O            -0.0218873195       -2.5937692830        0.0350653875
H             0.5984500687       -1.9155174197        0.4069396393
H             0.3995967373       -3.4444827689        0.1463019824
O            -2.3650782570       -1.3686290276        0.7775003084
H            -3.1343120965       -1.8941468433        0.9963344948
H            -1.6408162926       -2.0003147560        0.6227663749
O            -0.8056303451        0.2334900356        2.4988671816
H            -1.2084256897        0.8529216390        3.1123020145
H            -1.5166661494       -0.1941214903        1.9993409490
O             1.4138603604       -0.5875159120        0.9629867258
H             0.8253859450       -0.1487900786        1.5934248309
H             1.4863834711        0.0271578596        0.2151875594
O            -1.0463761628       -0.7052629724       -1.8657177732
H            -0.6648236825       -1.5133435177       -1.4986505423
H            -1.7724258171       -0.5231509117       -1.2614400487
    18
 Energy=    -44.7407062269447
O             1.1221367382        0.9591208064       -1.3475000686
H             1.6654841636        1.1049608694       -2.1211820419
H             0.3374126742        0.4759822530       -1.6596616205
O            -0.0218641428       -2.5939009530        0.0352627855
H             0.5983432263       -1.9154935708        0.4070789928
H             0.3999686101       -3.4444881175        0.1460473454
O            -2.3651563776       -1.3692526295        0.7783456096
H            -3.1345725258       -1.8948996840        0.9960593778
H            -1.6407946591       -2.0007047419        0.6234023013
O            -0.8060884615        0.2411287632        2.4918738918
H            -1.2087485565        0.8463141720        3.1183712730
H            -1.5170511761       -0.1919191177        1.9984591851
O             1.4138638157       -0.5879650125        0.9628819384
H             0.8254653375       -0.1491432940        1.5932361582
H             1.4865555394        0.0268887423        0.2152280986
O            -1.0465300985       -0.7053232608       -1.8655459964
H            -0.6649624302       -1.5133096093       -1.4983005488
H            -1.7722316204       -0.5227217913       -1.2609885056
    18
 Energy=    -44.7377796353994
O             1.1223929348        0.9589173627       -1.3475239646
H             1.6655882368        1.1048835884       -2.1212859443
H             0.3375562841        0.4759329888       -1.6596314336
O            -0.0218500231       -2.5939659027        0.0353523447
H             0.5982887973       -1.9154740627        0.4071556158
H             0.4001487286       -3.4444951451        0.1459244398
O            -2.3651969917       -1.3695538070        0.7787405001
H            -3.1347042305       -1.8952598951        0.9959323036
H            -1.6407732507       -2.0008945299        0.6237111829
O            -0.8062583172        0.2449092805        2.4885103348
H            -1.2089173348        0.8429856637        3.1212039321
H            -1.5172702116       -0.1908090586        1.9981208874
O             1.4138657976       -0.5881889403        0.9628275000
H             0.8254983202       -0.1493192615        1.5931419908
H             1.4866340273        0.0267661064        0.2152548520
O            -1.0466085255       -0.7053553078       -1.8654650408
H            -0.6650266832       -1.5132924846       -1.4981311462
H            -1.7721375035       -0.5225127738       -1.2607701791
    18
 Energy=    -44.7347499038295
O             1.1227153427        0.9586619003       -1.3475546440
H             1.6657196056        1.1047867377       -2.1214171219
H             0.3377378549        0.4758706997       -1.6595921889
O            -0.0218313748       -2.5940488804        0.0354610708
H             0.5982193135       -1.9154440441        0.4072579306
H             0.4003757708       -3.4445071270        0.1457698739
O            -2.3652498421       -1.3699314826        0.7792291353
H            -3.1348744857       -1.8957115546        0.9957762189
H            -1.6407386900       -2.0011351866        0.6241004785
O            -0.8064383811        0.2497350109        2.4843093306
H            -1.2091305338        0.8387014450        3.1246929784
H            -1.5175751637       -0.1893849773        1.9977412191
O             1.4138693126       -0.5884754067        0.9627562295
H             0.8255357487       -0.1495429906        1.5930223949
H             1.4867299906        0.0266162805        0.2152927754
O            -1.0467098268       -0.7053972337       -1.8653641564
H            -0.6651058296       -1.5132706044       -1.4979178069
H            -1.7720187554       -0.5222487626       -1.2604955402
    18
 Energy=    -44.7316629963754
O             1.1230894267        0.9583660876       -1.3475907712
H             1.6658723901        1.1046747618       -2.1215696972
H             0.3379491960        0.4757981295       -1.6595455271
O            -0.0218085323       -2.5941461457        0.0355837307
H             0.5981374984       -1.9154043214        0.4073819216
H             0.4006393637       -3.4445239034        0.1455906099
O            -2.3653126143       -1.3703690703        0.7797883476
H            -3.1350759331       -1.8962336243        0.9955987037
H            -1.6406917446       -2.0014157292        0.6245526262
O            -0.8066227744        0.2553885804        2.4794679713
H            -1.2093779485        0.8336429404        3.1286653906
H            -1.5179500449       -0.1877001174        1.9973457418
O             1.4138739728       -0.5888117596        0.9626713011
H             0.8255756212       -0.1498047103        1.5928822933
H             1.4868387194        0.0264465459        0.2153407982
O            -1.0468296760       -0.7054473950       -1.8652480679
H            -0.6651960461       -1.5132449235       -1.4976701970
H            -1.7718808186       -0.5219415222       -1.2601769986
    18
 Energy=    -44.7300970502832
O             1.1233090765        0.9581927416       -1.3476122874
H             1.6659622710        1.1046092303       -2.1216594481
H             0.3380735853        0.4757553680       -1.6595175460
O            -0.0217945399       -2.5942037835        0.0356539116
H             0.5980888830       -1.9153783368        0.4074574742
H             0.4007941730       -3.4445353499        0.1454853950
O            -2.3653502518       -1.3706257095        0.7801126687
H            -3.1351962875       -1.8965389872        0.9954964065
H            -1.6406604348       -2.0015811733        0.6248182185
O            -0.8067212648        0.2587336406        2.4766451612
H            -1.2095226825        0.8306262088        3.1309537079
H            -1.5181787028       -0.1866903923        1.9971390753
O             1.4138769783       -0.5890113474        0.9626203985
H             0.8255972485       -0.1499593537        1.5927992196
H             1.4869011761        0.0263490625        0.2153710911
O            -1.0469012185       -0.7054776806       -1.8651804095
H            -0.6652481537       -1.5132296905       -1.4975248148
H            -1.7717997998       -0.5217606236       -1.2599900474
    18
 Energy=    -44.7256270244984
O             1.1242367590        0.9574603463       -1.3477060759
H             1.6663438373        1.1043334415       -2.1220402267
H             0.3386028688        0.4755744756       -1.6593947380
O            -0.0217404372       -2.5944548892        0.0359347472
H             0.5978862615       -1.9152455741        0.4077976319
H             0.4014512270       -3.4445972726        0.1450409873
O            -2.3655155408       -1.3716962778        0.7814586080
H            -3.1357278141       -1.8978302646        0.9950777711
H            -1.6404955915       -2.0022945351        0.6259400390
O            -0.8071048224        0.2732493215        2.4650765849
H            -1.2100220552        0.8174117396        3.1401612136
H            -1.5192814660       -0.1823319639        1.9963754613
O             1.4139015197       -0.5898757897        0.9623918069
H             0.8256699483       -0.1506128464        1.5924493076
H             1.4871565483        0.0259512959        0.2155115818
O            -1.0472134069       -0.7056098146       -1.8648955884
H            -0.6654628932       -1.5131649779       -1.4969095945
H            -1.7714548877       -0.5209925894       -1.2592013392
    18
 Energy=    -44.7166422588256
O             1.1257628470        0.9562546546       -1.3478661964
H             1.6669750325        1.1038812168       -2.1226702594
H             0.3394806112        0.4752773151       -1.6591845579
O            -0.0216701867       -2.5948849749        0.0363652515
H             0.5975664023       -1.9149816058        0.4083951044
H             0.4025395881       -3.4447253372        0.1443107891
O            -2.3658020063       -1.3734284255        0.7836322677
H            -3.1366442244       -1.8999609701        0.9944114077
H            -1.6401635852       -2.0035001495        0.6277840464
O            -0.8066758119        0.2972550843        2.4459553942
H            -1.2112687119        0.7955993870        3.1553435530
H            -1.5217233652       -0.1751993275        1.9951881094
O             1.4139652280       -0.5913405435        0.9619914537
H             0.8257619749       -0.1516774571        1.5918732163
H             1.4875603208        0.0253195633        0.2157670303
O            -1.0477440988       -0.7058344147       -1.8644290028
H            -0.6658070866       -1.5130587007       -1.4958949741
H            -1.7708828720       -0.5197214918       -1.2579044567
    18
 Energy=    -44.7102902443439
O             1.1277899497        0.9541855173       -1.3478191990
H             1.6677743131        1.1034118338       -2.1231490557
H             0.3405376495        0.4747736656       -1.6589974066
O            -0.0215819837       -2.5957227105        0.0370860154
H             0.5971095082       -1.9152109567        0.4091011031
H             0.4041257532       -3.4450247205        0.1431757562
O            -2.3648632664       -1.3755296194        0.7873121861
H            -3.1371910940       -1.9015586011        0.9937400755
H            -1.6399575886       -2.0058986579        0.6295677318
O            -0.8119271754        0.3243683311        2.4243412704
H            -1.2044062904        0.7692676108        3.1736732032
H            -1.5227780534       -0.1671503586        1.9883003347
O             1.4118013226       -0.5914423241        0.9634782703
H             0.8219003778       -0.1505321044        1.5910582980
H             1.4877776708        0.0242975693        0.2166960315
O            -1.0480904288       -0.7057142829       -1.8634622171
H            -0.6664441323       -1.5129651384       -1.4947256477
H            -1.7703464757       -0.5182812291       -1.2563085750
    18
 Energy=    -44.7127541136515
O             1.1298148203        0.9521188411       -1.3477726697
H             1.6685722125        1.1029430859       -2.1236262999
H             0.3415929884        0.4742703647       -1.6588104806
O            -0.0214924998       -2.5965593126        0.0378069735
H             0.5966519114       -1.9154410771        0.4098056390
H             0.4057096260       -3.4453232141        0.1420418061
O            -2.3639275327       -1.3776296903        0.7909888516
H            -3.1377358689       -1.9031528015        0.9930688872
H            -1.6397522331       -2.0082936891        0.6313487629
O            -0.8175653850        0.3517747614        2.4032585726
H            -1.1972278941        0.7426244150        3.1914742005
H            -1.5237596405       -0.1590953610        1.9814237698
O             1.4096442665       -0.5915443262        0.9649607098
H             0.8180377349       -0.1493857325        1.5902446227
H             1.4879948437        0.0232762183        0.2176241950
O            -1.0484359198       -0.7055937644       -1.8624964945
H            -0.6670806378       -1.5128715419       -1.4935579151
H            -1.7698107351       -0.5168433510       -1.2547149543
    18
 Energy=    -44.7156448911647
O             1.1298178508        0.9521159860       -1.3477731121
H             1.6685729288        1.1029425042       -2.1236259806
H             0.3415940316        0.4742693700       -1.6588102047
O            -0.0214910201       -2.5965602820        0.0378090130
H             0.5966500081       -1.9154425134        0.4098059661
H             0.4057114429       -3.4453230816        0.1420399854
O            -2.3639279739       -1.3776339886        0.7909952317
H            -3.1377351414       -1.9031535611        0.9930673449
H            -1.6397523863       -2.0082964806        0.6313507241
O            -0.8179455437        0.3520493878        2.4037995464
H            -1.1969128356        0.7423253128        3.1909335007
H            -1.5236911999       -0.1590605461        1.9814114458
O             1.4096455939       -0.5915452740        0.9649606799
H             0.8180270275       -0.1493809416        1.5902427086
H             1.4879950080        0.0232742827        0.2176259334
O            -1.0484360057       -0.7055930426       -1.8624950634
H            -0.6670817479       -1.5128712664       -1.4935564494
H            -1.7698099816       -0.5168420405       -1.2547130941
    18
 Energy=    -44.7190068119357
O             1.1306360490        0.9511023419       -1.3476617440
H             1.6688939163        1.1028034197       -2.1236846066
H             0.3419930434        0.4739993223       -1.6587649535
O            -0.0214527661       -2.5970105039        0.0381158790
H             0.5964346353       -1.9157646960        0.4100753138
H             0.4064044448       -3.4455071272        0.1415235863
O            -2.3630481874       -1.3783862315        0.7926546103
H            -3.1376836774       -1.9032764228        0.9929290066
H            -1.6397367838       -2.0095749771        0.6318475531
O            -0.8219576039        0.3599631328        2.3978416209
H            -1.1908919468        0.7329658967        3.1967682597
H            -1.5235827791       -0.1557923667        1.9763963278
O             1.4079037700       -0.5908645332        0.9663848245
H             0.8149013788       -0.1475291963        1.5896075280
H             1.4879473057        0.0227394237        0.2182617904
O            -1.0484374646       -0.7053737587       -1.8619648556
H            -0.6674059532       -1.5128471043       -1.4931455769
H            -1.7696873262       -0.5163727969       -1.2541163879
    18
 Energy=    -44.7228099176182
O             1.1328249556        0.9484448025       -1.3474028770
H             1.6697436680        1.1024374753       -2.1238430351
H             0.3430689473        0.4732741411       -1.6586190269
O            -0.0213076181       -2.5982284552        0.0388347281
H             0.5958238363       -1.9164723822        0.4109417876
H             0.4082403317       -3.4460693304        0.1401559658
O            -2.3608514392       -1.3803663340        0.7968252072
H            -3.1376401992       -1.9035446182        0.9926452408
H            -1.6394723069       -2.0129931548        0.6331966853
O            -0.8294186227        0.3813531167        2.3808128429
H            -1.1767039329        0.7076019941        3.2121628875
H            -1.5247087383       -0.1469819765        1.9645785046
O             1.4033146578       -0.5891249403        0.9700523281
H             0.8065626014       -0.1427452029        1.5879519807
H             1.4878377344        0.0214058975        0.2199452680
O            -1.0484960575       -0.7048521016       -1.8605889933
H            -0.6682216450       -1.5127683403       -1.4920542692
H            -1.7693661177       -0.5150967666       -1.2525270504
    18
 Energy=    -44.7284751948689
O             1.1328724147        0.9483793727       -1.3473960751
H             1.6697762024        1.1024318577       -2.1238646569
H             0.3431117720        0.4732544649       -1.6586030201
O            -0.0212880107       -2.5982635842        0.0388210070
H             0.5957906174       -1.9164420359        0.4110212855
H             0.4082912212       -3.4461070313        0.1401218805
O            -2.3607847431       -1.3804241339        0.7968383293
H            -3.1376955937       -1.9035525724        0.9926714811
H            -1.6394263583       -2.0130552204        0.6332572368
O            -0.8292297352        0.3823275471        2.3808331911
H            -1.1764791947        0.7064213598        3.2116147844
H            -1.5249838342       -0.1466473840        1.9648243633
O             1.4032020532       -0.5890965893        0.9701079087
H             0.8063372748       -0.1426773694        1.5878936704
H             1.4878392608        0.0213979692        0.2199980936
O            -1.0485281076       -0.7048497087       -1.8605646584
H            -0.6682239970       -1.5127673132       -1.4920197250
H            -1.7693511864       -0.5150558046       -1.2524869197
    18
 Energy=    -44.7552923671571
O             1.1352989082        0.9456789441       -1.3472415115
H             1.6706933175        1.1020535487       -2.1240870594
H             0.3443576001        0.4724147869       -1.6583399804
O            -0.0208571962       -2.5995706899        0.0392565335
H             0.5948753873       -1.9167155182        0.4125805421
H             0.4102810657       -3.4468928341        0.1386819443
O            -2.3589366605       -1.3825544941        0.8003452254
H            -3.1379174513       -1.9036504032        0.9926614116
H            -1.6384992340       -2.0165820889        0.6349716501
O            -0.8337353765        0.4075634335        2.3649481835
H            -1.1637084257        0.6747803977        3.2198741662
H            -1.5273754281       -0.1351018854        1.9588775477
O             1.3983848739       -0.5875242749        0.9735594851
H             0.7973461329       -0.1382320899        1.5859380795
H             1.4877734551        0.0203347908        0.2218603329
O            -1.0488405606       -0.7045269280       -1.8592674954
H            -0.6689185190       -1.5126038515       -1.4908102106
H            -1.7689918327       -0.5135970194       -1.2507406665
    18
 Energy=    -44.7676797494387
O             1.1364337991        0.9442663006       -1.3470781092
H             1.6712023069        1.1018735630       -2.1242664788
H             0.3450041076        0.4720124351       -1.6582167456
O            -0.0206500500       -2.6001852610        0.0395611025
H             0.5944215334       -1.9169856609        0.4132446425
H             0.4112875069       -3.4472254954        0.1379572283
O            -2.3576574693       -1.3836826094        0.8022134883
H            -3.1380658840       -1.9038212611        0.9926209197
H            -1.6383410317       -2.0182120250        0.6358515100
O            -0.8372447410        0.4196146322        2.3566211930
H            -1.1566012023        0.6598626234        3.2256687847
H            -1.5279996063       -0.1296480870        1.9544437225
O             1.3958889812       -0.5866413942        0.9753980733
H             0.7928870486       -0.1359422171        1.5848961550
H             1.4877304723        0.0197258691        0.2228084645
O            -1.0489854043       -0.7042912161       -1.8585904629
H            -0.6692897401       -1.5125542739       -1.4901894857
H            -1.7687905711       -0.5128920981       -1.2498758263
    18
 Energy=    -44.7709788541193
O             1.1368854533        0.9437382063       -1.3470299273
H             1.6713875483        1.1018024226       -2.1243236542
H             0.3452480262        0.4718525611       -1.6581692472
O            -0.0205633715       -2.6004215613        0.0396683832
H             0.5942418413       -1.9170781483        0.4135159648
H             0.4116738867       -3.4473516600        0.1376819460
O            -2.3572349174       -1.3841061463        0.8029135203
H            -3.1380990572       -1.9038671053        0.9926049513
H            -1.6382466818       -2.0188483629        0.6361927371
O            -0.8385723982        0.4242548295        2.3535558660
H            -1.1539063248        0.6540791018        3.2276633122
H            -1.5282354121       -0.1275200664        1.9528802782
O             1.3949449492       -0.5863188222        0.9760804004
H             0.7911785168       -0.1350840837        1.5844938519
H             1.4877150132        0.0195044395        0.2231720481
O            -1.0490415326       -0.7042132564       -1.8583392410
H            -0.6694293661       -1.5125275229       -1.4899524892
H            -1.7687161183       -0.5126210009       -1.2495405255
    18
 Energy=    -44.7745983733293
O             1.1387224622        0.9416379947       -1.3468413520
H             1.6721440486        1.1015174255       -2.1245885440
H             0.3462710678        0.4711814478       -1.6579589154
O            -0.0201318522       -2.6013297585        0.0400715099
H             0.5934353827       -1.9174399740        0.4147196245
H             0.4132696710       -3.4478172221        0.1365890919
O            -2.3555954395       -1.3857947838        0.8055602304
H            -3.1382201892       -1.9040713947        0.9925664829
H            -1.6378946453       -2.0212995848        0.6376894362
O            -0.8443514428        0.4426693564        2.3416414268
H            -1.1430233397        0.6307577547        3.2350797714
H            -1.5288020401       -0.1186779004        1.9469276474
O             1.3911281140       -0.5850819298        0.9787300033
H             0.7842998200       -0.1318006545        1.5827314344
H             1.4876593020        0.0186831993        0.2246626404
O            -1.0493161207       -0.7039371585       -1.8573785814
H            -0.6699671537       -1.5123894199       -1.4889707687
H            -1.7683975898       -0.5115335730       -1.2481629611
    18
 Energy=    -44.7797611607862
O             1.1380815156        0.9424310676       -1.3469147387
H             1.6718833352        1.1016219768       -2.1245352565
H             0.3459487671        0.4713898593       -1.6580133524
O            -0.0201924106       -2.6009519410        0.0398916953
H             0.5936308331       -1.9172957217        0.4144166397
H             0.4127414220       -3.4475948244        0.1370036590
O            -2.3562648059       -1.3851751301        0.8043961224
H            -3.1381527857       -1.9040172209        0.9926085448
H            -1.6380651103       -2.0202708586        0.6372974529
O            -0.8426311636        0.4356580994        2.3463045010
H            -1.1470094854        0.6392674235        3.2318792374
H            -1.5282018454       -0.1216339786        1.9494361187
O             1.3924902204       -0.5855974402        0.9776494481
H             0.7867908474       -0.1331995284        1.5832001548
H             1.4876886820        0.0190595991        0.2241557783
O            -1.0492766941       -0.7040785062       -1.8577877566
H            -0.6697417368       -1.5124061521       -1.4892913529
H            -1.7684895291       -0.5119329004       -1.2486287197
    18
 Energy=    -44.7834212235565
O             1.1384369501        0.9421451985       -1.3469232612
H             1.6719937575        1.1015700166       -2.1245887344
H             0.3461572399        0.4712363308       -1.6579613024
O            -0.0200644081       -2.6010629288        0.0399112371
H             0.5934328518       -1.9173281142        0.4147553146
H             0.4130673609       -3.4476038138        0.1368540912
O            -2.3562237963       -1.3853653950        0.8046384438
H            -3.1380902622       -1.9040540722        0.9926144966
H            -1.6379882103       -2.0205862896        0.6376802997
O            -0.8439601625        0.4383585000        2.3450538550
H            -1.1451676213        0.6357438744        3.2325768946
H            -1.5280126977       -0.1202287503        1.9485286661
O             1.3918941586       -0.5855063812        0.9779201324
H             0.7856507180       -0.1328687501        1.5827646440
H             1.4876930402        0.0190180145        0.2244091495
O            -1.0493663951       -0.7040927024       -1.8576980433
H            -0.6698027956       -1.5123320637       -1.4891019695
H            -1.7684196732       -0.5117688487       -1.2483657380
    18
 Energy=    -44.7971012768299
O             1.1406784400        0.9400022886       -1.3468394163
H             1.6728545082        1.1012372385       -2.1250513916
H             0.3476157337        0.4702677546       -1.6576124805
O            -0.0194041483       -2.6018953475        0.0401532769
H             0.5922562010       -1.9175928864        0.4168316206
H             0.4152892908       -3.4477711870        0.1357819617
O            -2.3551522264       -1.3866990867        0.8065804054
H            -3.1380474764       -1.9045057267        0.9926881739
H            -1.6376564640       -2.0227963172        0.6401237272
O            -0.8524559416        0.4578268275        2.3357695526
H            -1.1321151726        0.6113017454        3.2387635648
H            -1.5276166665       -0.1111954273        1.9410864323
O             1.3876785492       -0.5846777481        0.9801054597
H             0.7777126082       -0.1301805223        1.5799840538
H             1.4877213873        0.0185557038        0.2260806299
O            -1.0499504113       -0.7040254583       -1.8569203475
H            -0.6702525624       -1.5119419190       -1.4878188250
H            -1.7679255930       -0.5106361084       -1.2466382226
    18
 Energy=    -44.8005630507027
O             1.1431053124        0.9383403023       -1.3470094770
H             1.6735230257        1.1008884640       -2.1253917733
H             0.3490030919        0.4690885665       -1.6573664690
O            -0.0190852940       -2.6027020804        0.0408720856
H             0.5913995861       -1.9177699166        0.4184592884
H             0.4177220548       -3.4474893824        0.1349038931
O            -2.3553462195       -1.3877169819        0.8081044760
H            -3.1372998782       -1.9043451028        0.9927620941
H            -1.6371880713       -2.0244770858        0.6423345010
O            -0.8600723769        0.4736144658        2.3298574942
H            -1.1198107092        0.5919850585        3.2448036542
H            -1.5278845957       -0.1053041957        1.9324010220
O             1.3834519252       -0.5836581076        0.9817694795
H             0.7701731898       -0.1278041470        1.5771758341
H             1.4879392907        0.0178947850        0.2272197250
O            -1.0503231264       -0.7040076568       -1.8561843777
H            -0.6704883893       -1.5115394358       -1.4866374044
H            -1.7675887583       -0.5097237264       -1.2450058704
    18
 Energy=    -44.8063649262345
O             1.1433382798        0.9377240970       -1.3468781915
H             1.6739391257        1.1008688846       -2.1258514230
H             0.3496718627        0.4688654179       -1.6571789789
O            -0.0189550581       -2.6028029578        0.0410509090
H             0.5910761518       -1.9176650425        0.4190509949
H             0.4184784001       -3.4475073591        0.1346947573
O            -2.3542545224       -1.3875882602        0.8078830282
H            -3.1380502700       -1.9048585943        0.9931009196
H            -1.6373116000       -2.0245067552        0.6431118698
O            -0.8616848894        0.4774704787        2.3286888304
H            -1.1171473471        0.5862253096        3.2446836745
H            -1.5278117134       -0.1030135251        1.9317611056
O             1.3823783290       -0.5836654677        0.9820534940
H             0.7680097657       -0.1272457057        1.5763150353
H             1.4879986750        0.0179204774        0.2274476068
O            -1.0506006977       -0.7039715765       -1.8559521113
H            -0.6704735575       -1.5114521126       -1.4862679205
H            -1.7673708788       -0.5095234844       -1.2446454234
    18
 Energy=    -44.8075598631417
O             1.1445881521        0.9368217793       -1.3470140627
H             1.6743658300        1.1007103527       -2.1261439397
H             0.3504864612        0.4682207327       -1.6570372029
O            -0.0187219724       -2.6032409107        0.0416658593
H             0.5905791771       -1.9175258101        0.4198061181
H             0.4198262682       -3.4474362002        0.1342233754
O            -2.3541960027       -1.3879852392        0.8083876048
H            -3.1378338505       -1.9046203916        0.9933415584
H            -1.6370045090       -2.0251974773        0.6441695003
O            -0.8646305224        0.4845889174        2.3255923245
H            -1.1116884905        0.5752731261        3.2458577598
H            -1.5280684572       -0.0987093859        1.9296412412
O             1.3800160751       -0.5831366971        0.9828949939
H             0.7639151242       -0.1257594585        1.5746624154
H             1.4880559126        0.0175868875        0.2279747411
O            -1.0507077989       -0.7039348806       -1.8554791617
H            -0.6705537252       -1.5112689706       -1.4856389837
H            -1.7671976164       -0.5091125487       -1.2438359649
    18
 Energy=    -44.8130792014648
O             1.1473223706        0.9345450837       -1.3476038357
H             1.6757142649        1.1004638364       -2.1274506903
H             0.3527754292        0.4665425790       -1.6569791958
O            -0.0191270418       -2.6045405117        0.0453628219
H             0.5901833017       -1.9165207657        0.4195664775
H             0.4237396937       -3.4469511699        0.1332815691
O            -2.3529496929       -1.3873069181        0.8091825472
H            -3.1376996676       -1.9029804870        0.9947227644
H            -1.6369021922       -2.0254520192        0.6451116997
O            -0.8689024829        0.4903238264        2.3229640230
H            -1.0991917288        0.5565649247        3.2486813731
H            -1.5316140440       -0.0916049016        1.9232312811
O             1.3734475360       -0.5807773256        0.9849932013
H             0.7536010230       -0.1194220399        1.5701567189
H             1.4880054532        0.0158923919        0.2279355485
O            -1.0497010868       -0.7031434655       -1.8532972304
H            -0.6705195280       -1.5113767673       -1.4842582526
H            -1.7669515509       -0.5089824479       -1.2425326429
    18
 Energy=    -44.8167755240044
O             1.1502812699        0.9322990371       -1.3486956889
H             1.6770458969        1.1002603039       -2.1291091278
H             0.3547744274        0.4653764956       -1.6573251591
O            -0.0188174206       -2.6054107025        0.0469445040
H             0.5884741527       -1.9156357108        0.4214176997
H             0.4270795352       -3.4464994321        0.1330136874
O            -2.3525006798       -1.3856989561        0.8090145884
H            -3.1373318421       -1.9001741330        0.9963277944
H            -1.6370583107       -2.0249061524        0.6458093514
O            -0.8699329959        0.4904592487        2.3212828893
H            -1.0900473705        0.5413516699        3.2504588422
H            -1.5361295539       -0.0870710698        1.9209260424
O             1.3682475090       -0.5776288972        0.9861930260
H             0.7444448514       -0.1130673344        1.5649254043
H             1.4876659034        0.0155766346        0.2273518639
O            -1.0478983226       -0.7027311939       -1.8510306741
H            -0.6704211063       -1.5119793245       -1.4828176097
H            -1.7666458894       -0.5092466603       -1.2416192575
    18
 Energy=    -44.8180324836315
O             1.1520269457        0.9313408324       -1.3495473899
H             1.6777642370        1.1001367143       -2.1303049870
H             0.3557432569        0.4649849502       -1.6577075192
O            -0.0181392685       -2.6053854598        0.0462033607
H             0.5867078383       -1.9154980831        0.4240177863
H             0.4284153000       -3.4460559318        0.1333663616
O            -2.3528049316       -1.3844009166        0.8081179823
H            -3.1373592511       -1.8984993829        0.9971929963
H            -1.6372938515       -2.0241297420        0.6465581090
O            -0.8704620979        0.4893580295        2.3210102678
H            -1.0863362183        0.5352149420        3.2520524217
H            -1.5380104589       -0.0869598036        1.9206940530
O             1.3664969813       -0.5756148644        0.9859289944
H             0.7403138511       -0.1107691585        1.5620996826
H             1.4876121243        0.0164193773        0.2266524792
O            -1.0472424530       -0.7027844749       -1.8500954691
H            -0.6700563702       -1.5126258015       -1.4818069804
H            -1.7661455801       -0.5094574029       -1.2413639729
    18
 Energy=    -44.8197036872280
O             1.1515274361        0.9325576071       -1.3503227419
H             1.6777796498        1.1000960876       -2.1310603184
H             0.3557772986        0.4652457402       -1.6581319899
O            -0.0184930348       -2.6045383486        0.0461639793
H             0.5871811219       -1.9151587923        0.4236237037
H             0.4272299435       -3.4456742642        0.1342787827
O            -2.3537419695       -1.3838157055        0.8068398926
H            -3.1380325032       -1.8979487502        0.9971583518
H            -1.6376296341       -2.0229540908        0.6459208301
O            -0.8687489864        0.4838114740        2.3233039035
H            -1.0910680285        0.5423838288        3.2522057107
H            -1.5371769331       -0.0920871531        1.9244246657
O             1.3681578875       -0.5754731571        0.9844474922
H             0.7431201700       -0.1125216231        1.5634744847
H             1.4878469326        0.0172683166        0.2253771220
O            -1.0472861904       -0.7036794152       -1.8509482573
H            -0.6692607880       -1.5125509196       -1.4818013503
H            -1.7659523139       -0.5096870096       -1.2418860834
    18
 Energy=    -44.8218030515449
O             1.1533256676        0.9334204035       -1.3530913734
H             1.6790970620        1.0995924972       -2.1344849931
H             0.3580539863        0.4643300253       -1.6595355922
O            -0.0191900879       -2.6037422187        0.0492235089
H             0.5875762922       -1.9130068697        0.4232873847
H             0.4276878775       -3.4440646705        0.1358010149
O            -2.3553830378       -1.3813791123        0.8044031717
H            -3.1391333558       -1.8950895656        0.9981275215
H            -1.6389289685       -2.0205774086        0.6456259141
O            -0.8686241949        0.4775786383        2.3261073767
H            -1.0911951854        0.5401626303        3.2550806839
H            -1.5382434129       -0.0981558381        1.9288745230
O             1.3664852328       -0.5735891975        0.9824054719
H             0.7406467333       -0.1109979703        1.5611605329
H             1.4875967070        0.0186318439        0.2233976529
O            -1.0463673902       -0.7050429017       -1.8512126151
H            -0.6673463683       -1.5125593771       -1.4801457802
H            -1.7648275002       -0.5102370859       -1.2419562263
    18
 Energy=    -44.8247606428021
O             1.1577429456        0.9325928091       -1.3585062030
H             1.6820169605        1.0982005202       -2.1408832411
H             0.3623923410        0.4627992497       -1.6630088182
O            -0.0197204299       -2.6024812155        0.0539487051
H             0.5863059053       -1.9095455921        0.4254637121
H             0.4302280468       -3.4414490927        0.1382407314
O            -2.3574675172       -1.3775798969        0.8026613394
H            -3.1409062103       -1.8908157417        0.9992073160
H            -1.6417430708       -2.0183904430        0.6464144879
O            -0.8737823719        0.4778236104        2.3289832402
H            -1.0832995255        0.5209552381        3.2614433436
H            -1.5402580026       -0.1019141729        1.9317589190
O             1.3616697000       -0.5702456590        0.9803398801
H             0.7321239377       -0.1069098116        1.5538860719
H             1.4864985757        0.0222666795        0.2216768541
O            -1.0431355583       -0.7064210113       -1.8498749442
H            -0.6651006645       -1.5130988014       -1.4769276717
H            -1.7623350061       -0.5105128446       -1.2417555450
    18
 Energy=    -44.8298131913803
O             1.1621891063        0.9328408933       -1.3715106691
H             1.6881573999        1.0944012831       -2.1537956966
H             0.3662889224        0.4627866221       -1.6744808678
O            -0.0227180850       -2.5993563775        0.0599531387
H             0.5838779421       -1.9042920650        0.4270471989
H             0.4286265508       -3.4375112726        0.1464752276
O            -2.3605412600       -1.3753082653        0.8067970521
H            -3.1481963594       -1.8844776880        0.9962254713
H            -1.6478385630       -2.0177705799        0.6434291909
O            -0.8788501032        0.4704586153        2.3398203788
H            -1.0798629239        0.4978169067        3.2748744118
H            -1.5437556492       -0.1094910287        1.9405784602
O             1.3609514119       -0.5608278929        0.9761207131
H             0.7308349943       -0.1012233023        1.5526230758
H             1.4837582681        0.0304711594        0.2164173104
O            -1.0342094514       -0.7082771488       -1.8481504646
H            -0.6608919608       -1.5160222103       -1.4733099795
H            -1.7565901852       -0.5089438248       -1.2460457754
    18
 Energy=    -44.8310962156241
O             1.1626816186        0.9336288703       -1.3743885721
H             1.6893043141        1.0934651708       -2.1564910295
H             0.3671365376        0.4629174445       -1.6770053862
O            -0.0230662387       -2.5984845320        0.0606000499
H             0.5832272612       -1.9034151471        0.4270794865
H             0.4273325867       -3.4368338155        0.1486559053
O            -2.3614016454       -1.3748342554        0.8073771936
H            -3.1498151454       -1.8836368311        0.9951208600
H            -1.6493406221       -2.0179118258        0.6430765360
O            -0.8786216163        0.4670085042        2.3427268555
H            -1.0810533554        0.4958178527        3.2778611245
H            -1.5443568363       -0.1119673252        1.9432729450
O             1.3616670833       -0.5592536475        0.9753129962
H             0.7328854688       -0.0998527702        1.5530910885
H             1.4826705115        0.0324877019        0.2154317017
O            -1.0328084917       -0.7088994767       -1.8494038850
H            -0.6597094076       -1.5165645549       -1.4723933199
H            -1.7555019680       -0.5083975397       -1.2468563727
    18
 Energy=    -44.8333392230796
O             1.1633441109        0.9344605249       -1.3764323012
H             1.6904712901        1.0923639373       -2.1588843699
H             0.3685697513        0.4624813504       -1.6791332662
O            -0.0232830356       -2.5980561889        0.0603518866
H             0.5823823654       -1.9027007120        0.4279024876
H             0.4266498449       -3.4365354771        0.1506666134
O            -2.3622691543       -1.3749684601        0.8072862372
H            -3.1506999962       -1.8837156118        0.9936820048
H            -1.6508666944       -2.0185185760        0.6447740188
O            -0.8787581897        0.4663579219        2.3449365879
H            -1.0798785587        0.4902140924        3.2806642268
H            -1.5448647832       -0.1114023121        1.9439839190
O             1.3611575110       -0.5581366880        0.9751021979
H             0.7339782477       -0.0970846211        1.5525849435
H             1.4811874739        0.0340408854        0.2156586262
O            -1.0330695849       -0.7101398928       -1.8511976357
H            -0.6588777558       -1.5158697252       -1.4714919196
H            -1.7539427842       -0.5075166241       -1.2473860807
    18
 Energy=    -44.8359538949185
O             1.1660067740        0.9354169132       -1.3835987767
H             1.6944408671        1.0893323342       -2.1660629185
H             0.3724198622        0.4611476011       -1.6857280239
O            -0.0241014490       -2.5966282667        0.0626449948
H             0.5799914566       -1.9004128039        0.4297523377
H             0.4259964638       -3.4344844683        0.1560214037
O            -2.3646972095       -1.3746662061        0.8078281981
H            -3.1547652306       -1.8822524784        0.9906018789
H            -1.6539873961       -2.0192996356        0.6477008591
O            -0.8809852956        0.4649348479        2.3516074240
H            -1.0745083026        0.4705449083        3.2889394980
H            -1.5465963617       -0.1102816345        1.9462193515
O             1.3581983376       -0.5527907243        0.9736797630
H             0.7323734714       -0.0903562671        1.5515303260
H             1.4790724753        0.0383174405        0.2137215540
O            -1.0311951694       -0.7124882646       -1.8534665676
H            -0.6563276903       -1.5155078598       -1.4691676988
H            -1.7501055472       -0.5052516114       -1.2491554262
    18
 Energy=    -44.8372992570186
O             1.1684788740        0.9352899434       -1.3892396472
H             1.6978048683        1.0871067627       -2.1712107042
H             0.3752603795        0.4597445324       -1.6905815057
O            -0.0251044250       -2.5957381876        0.0657733827
H             0.5785684112       -1.8981651106        0.4312644322
H             0.4266780096       -3.4327860873        0.1596146370
O            -2.3665278063       -1.3741487084        0.8081483758
H            -3.1581290653       -1.8805975798        0.9887378078
H            -1.6555690976       -2.0192677038        0.6497015238
O            -0.8835319576        0.4651161303        2.3563269722
H            -1.0685396688        0.4527385068        3.2952433526
H            -1.5478776046       -0.1088240384        1.9472919360
O             1.3545769919       -0.5479678007        0.9725108240
H             0.7280191309       -0.0854340515        1.5500551125
H             1.4784373782        0.0412701718        0.2115046269
O            -1.0290054458       -0.7135106220       -1.8541279748
H            -0.6545896942       -1.5158340604       -1.4676096435
H            -1.7477192207       -0.5037182726       -1.2503353312
    18
 Energy=    -44.8394210074623
O             1.1678236422        0.9347203279       -1.3929530254
H             1.7014903698        1.0834456229       -2.1726493905
H             0.3758499386        0.4582801763       -1.6963673293
O            -0.0259526504       -2.5942478767        0.0700822908
H             0.5786724278       -1.8959525365        0.4327399562
H             0.4258168004       -3.4312739351        0.1641958581
O            -2.3686904082       -1.3732120881        0.8076883273
H            -3.1602509501       -1.8816571363        0.9828142831
H            -1.6560067153       -2.0172097336        0.6521248192
O            -0.8802851020        0.4600125183        2.3639512569
H            -1.0694487067        0.4457753383        3.3017981235
H            -1.5453138394       -0.1101665519        1.9509680616
O             1.3543541142       -0.5440169675        0.9707696714
H             0.7279367859       -0.0826786710        1.5491993357
H             1.4768605788        0.0460015528        0.2101411167
O            -1.0279766329       -0.7131031729       -1.8567217868
H            -0.6560623440       -1.5166691844       -1.4705223288
H            -1.7475872527       -0.5027738585       -1.2541910624
    18
 Energy=    -44.8415144389961
O             1.1666596166        0.9333826556       -1.3942909303
H             1.7061753875        1.0763175941       -2.1710449069
H             0.3763631355        0.4557761504       -1.6997775827
O            -0.0246791581       -2.5911922758        0.0726776601
H             0.5785891163       -1.8910984434        0.4346347436
H             0.4271632719       -3.4275947252        0.1723142309
O            -2.3668484044       -1.3695911724        0.8078932617
H            -3.1589661778       -1.8802556354        0.9735067267
H            -1.6528195078       -2.0114074247        0.6495768610
O            -0.8793831022        0.4561797445        2.3709934717
H            -1.0654861549        0.4356394284        3.3094471574
H            -1.5457494596       -0.1113123990        1.9563832961
O             1.3541696975       -0.5402742670        0.9694429097
H             0.7281689644       -0.0813265667        1.5503486947
H             1.4716374020        0.0496215865        0.2076585225
O            -1.0324602305       -0.7161518028       -1.8627379118
H            -0.6606665466       -1.5187073844       -1.4744181447
H            -1.7506377943       -0.5027312390       -1.2595398820
    18
 Energy=    -44.8426946576934
O             1.1646932539        0.9317625404       -1.3964469758
H             1.7087620937        1.0694167715       -2.1709841163
H             0.3752555023        0.4539253889       -1.7040591341
O            -0.0235207062       -2.5882264445        0.0719751655
H             0.5785912086       -1.8869420940        0.4338574299
H             0.4271779461       -3.4243302765        0.1786532581
O            -2.3652296537       -1.3660818406        0.8047883881
H            -3.1577608926       -1.8769970904        0.9680463655
H            -1.6506448043       -2.0081792048        0.6489067999
O            -0.8808345515        0.4553153351        2.3762923188
H            -1.0592972107        0.4233239654        3.3157773038
H            -1.5470502849       -0.1116615390        1.9607678846
O             1.3521399877       -0.5371272810        0.9702655382
H             0.7268358490       -0.0779796503        1.5515306766
H             1.4686928269        0.0518116933        0.2077894264
O            -1.0327304589       -0.7183498173       -1.8652124610
H            -0.6624192723       -1.5209705289       -1.4756634130
H            -1.7514307778       -0.5034361039       -1.2632162782
    18
 Energy=    -44.8438960257191
O             1.1588767967        0.9305307609       -1.3963423163
H             1.7066017758        1.0608621552       -2.1695778322
H             0.3705206908        0.4505393558       -1.7033034130
O            -0.0218558339       -2.5856142572        0.0692719818
H             0.5802131376       -1.8850981982        0.4326605504
H             0.4250856361       -3.4231489706        0.1804742933
O            -2.3628735099       -1.3618170608        0.8017147517
H            -3.1554191901       -1.8728539431        0.9643352540
H            -1.6482292191       -2.0034853495        0.6444424803
O            -0.8783490693        0.4535302119        2.3819977712
H            -1.0591791309        0.4205779697        3.3212278317
H            -1.5443507409       -0.1115943368        1.9636297164
O             1.3526233827       -0.5347268803        0.9727175734
H             0.7260673611       -0.0778301963        1.5547535042
H             1.4669766215        0.0553832945        0.2106402145
O            -1.0339638731       -0.7212342516       -1.8699586260
H            -0.6603973283       -1.5220613846       -1.4797107736
H            -1.7511174521       -0.5066850943       -1.2659047848
    18
 Energy=    -44.8449079648757
O             1.1518554836        0.9304988834       -1.3957046216
H             1.7000483382        1.0664712765       -2.1676022156
H             0.3672007007        0.4463036044       -1.7056956983
O            -0.0218766760       -2.5864084213        0.0706444728
H             0.5794905473       -1.8853956965        0.4341407254
H             0.4273392025       -3.4230403826        0.1794384161
O            -2.3597104817       -1.3515845332        0.7974467273
H            -3.1549538372       -1.8584155908        0.9601596113
H            -1.6479497349       -1.9971861445        0.6438527918
O            -0.8753161115        0.4532281733        2.3919692886
H            -1.0583292783        0.4101745475        3.3302869108
H            -1.5412053688       -0.1065778567        1.9663443443
O             1.3508902743       -0.5342859229        0.9730972633
H             0.7279300396       -0.0780796999        1.5593071021
H             1.4616909187        0.0566846115        0.2111568979
O            -1.0310331300       -0.7311335920       -1.8774112781
H            -0.6563156507       -1.5301058263       -1.4844241805
H            -1.7485251802       -0.5158736052       -1.2739383793
    18
 Energy=    -44.8449665128136
O             1.1509354667        0.9313262515       -1.3951343385
H             1.6980681290        1.0697568665       -2.1673327803
H             0.3665083528        0.4468535074       -1.7052576088
O            -0.0220486155       -2.5871513102        0.0717405239
H             0.5796708866       -1.8860888151        0.4344795337
H             0.4259016622       -3.4241213837        0.1832218292
O            -2.3598714990       -1.3504111640        0.7958913921
H            -3.1554084172       -1.8568293858        0.9584623699
H            -1.6482167327       -1.9963618053        0.6432089439
O            -0.8744719863        0.4529031285        2.3918262648
H            -1.0576072920        0.4087109587        3.3300740695
H            -1.5406072495       -0.1060120740        1.9654412847
O             1.3516922391       -0.5346142881        0.9725720046
H             0.7289765993       -0.0784124558        1.5590390191
H             1.4622109682        0.0564817442        0.2106932713
O            -1.0309807738       -0.7317174758       -1.8772576765
H            -0.6553153177       -1.5309432417       -1.4857562985
H            -1.7482063642       -0.5180952334       -1.2728436274
    18
 Energy=    -44.8449665127547
O             1.1509354274        0.9313263806       -1.3951343314
H             1.6980681709        1.0697567794       -2.1673327533
H             0.3665083218        0.4468536076       -1.7052575758
O            -0.0220486362       -2.5871513498        0.0717405180
H             0.5796708400       -1.8860888132        0.4344794903
H             0.4259015795       -3.4241214220        0.1832220934
O            -2.3598714296       -1.3504111492        0.7958913462
H            -3.1554083590       -1.8568293217        0.9584624245
H            -1.6482166963       -1.9963618307        0.6432088910
O            -0.8744719356        0.4529030907        2.3918263014
H            -1.0576073133        0.4087109205        3.3300740916
H            -1.5406071604       -0.1060121147        1.9654412641
O             1.3516921933       -0.5346142774        0.9725719447
H             0.7289765951       -0.0784124841        1.5590390334
H             1.4622108867        0.0564818158        0.2106932529
O            -1.0309807657       -0.7317174558       -1.8772577247
H            -0.6553153122       -1.5309432677       -1.4857564453
H            -1.7482063503       -0.5180952845       -1.2728436444
    18
 Energy=    -44.8431665689886
O             1.1551666060        0.9266586449       -1.3998991141
H             1.7026319070        1.0581313404       -2.1729550061
H             0.3681610893        0.4446304359       -1.7078402075
O            -0.0195890949       -2.5877124048        0.0664323360
H             0.5803192883       -1.8866064655        0.4319507273
H             0.4292168789       -3.4243189313        0.1761066777
O            -2.3543526323       -1.3501211056        0.7974621569
H            -3.1491236945       -1.8579956818        0.9588878815
H            -1.6419867889       -1.9950287028        0.6429770540
O            -0.8784202732        0.4558222581        2.4000305347
H            -1.0644720500        0.4097740800        3.3375113428
H            -1.5414664537       -0.1045614356        1.9707868961
O             1.3438708532       -0.5333288579        0.9739210497
H             0.7231039805       -0.0758175003        1.5613998355
H             1.4569349553        0.0579410310        0.2126349687
O            -1.0338510168       -0.7279947875       -1.8773743995
H            -0.6576026911       -1.5291547710       -1.4909301674
H            -1.7473108092       -0.5150433220       -1.2680343892
    18
 Energy=    -44.8417840933236
O             1.1564487244        0.9235927431       -1.4001207719
H             1.7027235382        1.0565652904       -2.1739524154
H             0.3681984017        0.4437734785       -1.7076870139
O            -0.0183430455       -2.5879039285        0.0648366710
H             0.5817830368       -1.8881634898        0.4322293287
H             0.4294046156       -3.4254555092        0.1725987165
O            -2.3531684663       -1.3506074203        0.7977912807
H            -3.1470046115       -1.8589714589        0.9633711889
H            -1.6408785861       -1.9952777220        0.6422798694
O            -0.8788417284        0.4559011558        2.4008578253
H            -1.0676667786        0.4118394586        3.3379737067
H            -1.5423530576       -0.1029728801        1.9704272411
O             1.3446764118       -0.5319658536        0.9757828245
H             0.7238128350       -0.0764983593        1.5646484344
H             1.4539806965        0.0591082233        0.2138100927
O            -1.0351430363       -0.7270821262       -1.8796713201
H            -0.6593096886       -1.5282877549       -1.4924825470
H            -1.7470892070       -0.5123200218       -1.2696249331
    18
 Energy=    -44.8403308412947
O             1.1572132523        0.9213443313       -1.3999125118
H             1.7061418280        1.0522700951       -2.1723183645
H             0.3685088404        0.4435947427       -1.7089629894
O            -0.0174690378       -2.5879341040        0.0605253835
H             0.5815487904       -1.8888725360        0.4305590597
H             0.4315853797       -3.4252654556        0.1656322158
O            -2.3525994148       -1.3531404798        0.8000201193
H            -3.1440899593       -1.8628975911        0.9722097582
H            -1.6404012751       -1.9970311639        0.6421477579
O            -0.8804737039        0.4578271594        2.4003336300
H            -1.0725596971        0.4189957455        3.3371590598
H            -1.5430787588       -0.1028743737        1.9705474374
O             1.3467817681       -0.5322295739        0.9789151815
H             0.7256765037       -0.0778811690        1.5682816280
H             1.4553538076        0.0596674246        0.2174002999
O            -1.0363824231       -0.7249199255       -1.8815707365
H            -0.6619545458       -1.5254508923       -1.4912578447
H            -1.7525712995       -0.5099284100       -1.2766409061
    18
 Energy=    -44.8390082464721
O             1.1563342886        0.9200220747       -1.4000397394
H             1.7080315014        1.0508749891       -2.1703518625
H             0.3686805220        0.4420483207       -1.7115502107
O            -0.0167027274       -2.5875121315        0.0578043876
H             0.5813063308       -1.8881715532        0.4289065588
H             0.4335209550       -3.4242444854        0.1633110318
O            -2.3512406138       -1.3528469974        0.7999190020
H            -3.1420653696       -1.8620097820        0.9764790309
H            -1.6394845054       -1.9969253115        0.6415164999
O            -0.8814294037        0.4586608125        2.4016912504
H            -1.0763873779        0.4206530307        3.3380572270
H            -1.5420815979       -0.1033451683        1.9707468999
O             1.3471670350       -0.5329891876        0.9805766391
H             0.7266403394       -0.0782044199        1.5703314999
H             1.4564684369        0.0597223781        0.2196771112
O            -1.0379662446       -0.7253549552       -1.8830606356
H            -0.6641134612       -1.5255399423       -1.4913144132
H            -1.7554480517       -0.5095638482       -1.2796321001
    18
 Energy=    -44.8317445237610
O             1.1534669729        0.9168796127       -1.3996972716
H             1.7081140514        1.0530769346       -2.1670914049
H             0.3699570712        0.4353038828       -1.7167609047
O            -0.0169578106       -2.5873914371        0.0570927539
H             0.5806890000       -1.8847137088        0.4253792529
H             0.4359561921       -3.4224666483        0.1649792930
O            -2.3479480895       -1.3480857476        0.7973523340
H            -3.1387299525       -1.8553074162        0.9779895330
H            -1.6370226224       -1.9943355710        0.6410112604
O            -0.8832272339        0.4568041044        2.4050667807
H            -1.0806529929        0.4173984511        3.3394656262
H            -1.5391876178       -0.1067413628        1.9690924428
O             1.3449962214       -0.5337326754        0.9805890771
H             0.7276806307       -0.0765064134        1.5724022278
H             1.4555238289        0.0605437590        0.2205185884
O            -1.0407591896       -0.7263202146       -1.8831959821
H            -0.6671720426       -1.5288458918       -1.4944863871
H            -1.7534963618       -0.5102858337       -1.2766390417
    18
 Energy=    -44.8298496033318
O             1.1494241861        0.9141520706       -1.3977762384
H             1.7091847445        1.0510416623       -2.1607783353
H             0.3694680328        0.4296426079       -1.7182834050
O            -0.0149489558       -2.5811038636        0.0533397698
H             0.5806177309       -1.8788288904        0.4244771513
H             0.4374577569       -3.4164170639        0.1615300313
O            -2.3449040585       -1.3443000567        0.7976167051
H            -3.1357667642       -1.8498677609        0.9833665188
H            -1.6352402885       -1.9911377473        0.6392541001
O            -0.8809247777        0.4534480256        2.4068405656
H            -1.0870832894        0.4155511886        3.3406245573
H            -1.5362710646       -0.1088977911        1.9675992798
O             1.3442421239       -0.5334383036        0.9817818375
H             0.7278533708       -0.0776323882        1.5744971226
H             1.4538489736        0.0589367360        0.2213035935
O            -1.0444171148       -0.7337249301       -1.8893742347
H            -0.6705104897       -1.5329673517       -1.4958232235
H            -1.7508000615       -0.5091823211       -1.2771276187
    18
 Energy=    -44.8252912902703
O             1.1528658131        0.9120025368       -1.3929577107
H             1.7150110514        1.0430394620       -2.1551805433
H             0.3715199733        0.4309512118       -1.7147707498
O            -0.0144329414       -2.5753306177        0.0479674293
H             0.5807492671       -1.8745536200        0.4230952487
H             0.4400269351       -3.4104113121        0.1482056833
O            -2.3451872147       -1.3487083482        0.8040015569
H            -3.1327521742       -1.8571159194        0.9958705665
H            -1.6353768320       -1.9939046134        0.6405461120
O            -0.8792128665        0.4525577582        2.4048364020
H            -1.0939597548        0.4285796150        3.3370012781
H            -1.5350691749       -0.1101208539        1.9664212889
O             1.3459978174       -0.5351611996        0.9844735940
H             0.7285106125       -0.0794997695        1.5760374213
H             1.4543136161        0.0562966494        0.2231496625
O            -1.0470064416       -0.7343113878       -1.8932366113
H            -0.6748847267       -1.5310561271       -1.4926170343
H            -1.7598829048       -0.5079796418       -1.2897754177
    18
 Energy=    -44.8220108898623
O             1.1540873120        0.9112007971       -1.3910244942
H             1.7174004891        1.0399460367       -2.1529756271
H             0.3721243690        0.4317122011       -1.7136660926
O            -0.0141550935       -2.5726135574        0.0454072047
H             0.5809616604       -1.8727968956        0.4227878117
H             0.4410371258       -3.4077458311        0.1431521092
O            -2.3449801203       -1.3503338077        0.8067744521
H            -3.1314754712       -1.8595334038        1.0009661650
H            -1.6354212906       -1.9950566839        0.6406076082
O            -0.8784024494        0.4520184871        2.4041257472
H            -1.0971253003        0.4332275393        3.3357644235
H            -1.5345577170       -0.1103232521        1.9657350377
O             1.3469455032       -0.5360912277        0.9858296286
H             0.7282950776       -0.0802539075        1.5765158562
H             1.4546111893        0.0550567016        0.2237120272
O            -1.0480481465       -0.7352899960       -1.8951732996
H            -0.6766757561       -1.5308171396       -1.4912855253
H            -1.7633913263       -0.5070322393       -1.2941848558
    18
 Energy=    -44.8181443957805
O             1.1583665324        0.9129370720       -1.3904356018
H             1.7218342483        1.0364881662       -2.1536888293
H             0.3733763765        0.4371772629       -1.7116886846
O            -0.0134877274       -2.5715449908        0.0427864631
H             0.5820968652       -1.8736510523        0.4223717315
H             0.4413798409       -3.4065485030        0.1375427624
O            -2.3461719679       -1.3564369321        0.8108122315
H            -3.1317592885       -1.8664740920        1.0078296331
H            -1.6359406648       -1.9993913353        0.6407454458
O            -0.8789283031        0.4542030947        2.4015910648
H            -1.1001640175        0.4416491164        3.3330397894
H            -1.5353399399       -0.1091749391        1.9653086355
O             1.3482071329       -0.5384327762        0.9878971292
H             0.7267712555       -0.0813422732        1.5757277255
H             1.4581232904        0.0518300138        0.2246476898
O            -1.0493302978       -0.7338849285       -1.8950903696
H            -0.6785722855       -1.5274900430       -1.4870759600
H            -1.7692309943       -0.5046390366       -1.2992526803
    18
 Energy=    -44.8142586114620
O             1.1553847611        0.9099948664       -1.3880899728
H             1.7219312769        1.0330665784       -2.1491787476
H             0.3705201327        0.4343392802       -1.7110691369
O            -0.0139830350       -2.5683763031        0.0412066773
H             0.5828078554       -1.8703905622        0.4228040546
H             0.4426939300       -3.4035478862        0.1329449647
O            -2.3463591429       -1.3543885732        0.8106620536
H            -3.1317306143       -1.8645538624        1.0095825824
H            -1.6346623208       -1.9964356380        0.6401787069
O            -0.8765940916        0.4522443500        2.4041221781
H            -1.1008530491        0.4428590226        3.3343273124
H            -1.5331419191       -0.1096100502        1.9669739103
O             1.3493861991       -0.5364442045        0.9887679641
H             0.7288166236       -0.0827875537        1.5783108588
H             1.4554388201        0.0531457171        0.2257684644
O            -1.0476348266       -0.7361127095       -1.8984648062
H            -0.6791316481       -1.5308488753       -1.4889992194
H            -1.7716588955       -0.5068797732       -1.3067796673
    18
 Energy=    -44.7975592962433
O             1.1418025484        0.8986132665       -1.3795936663
H             1.7176741043        1.0226067726       -2.1327738274
H             0.3622779492        0.4189427330       -1.7095928602
O            -0.0133472865       -2.5585467602        0.0395899553
H             0.5816920827       -1.8607179277        0.4229848255
H             0.4460072078       -3.3925421472        0.1198317746
O            -2.3468312111       -1.3426176111        0.8064069580
H            -3.1284932379       -1.8551525275        1.0107934411
H            -1.6327329419       -1.9828760352        0.6407730590
O            -0.8678805551        0.4446044173        2.4126363538
H            -1.1002845717        0.4420791352        3.3404912475
H            -1.5261954491       -0.1133003887        1.9729540427
O             1.3532078051       -0.5316894101        0.9898039513
H             0.7370418883       -0.0852410978        1.5900228630
H             1.4432100963        0.0632713191        0.2273539672
O            -1.0414777936       -0.7441481295       -1.9105340722
H            -0.6808002241       -1.5400753338       -1.4983684612
H            -1.7736403560       -0.5179364512       -1.3297113727
    18
 Energy=    -44.7867388700188
O             1.1381791408        0.8971261488       -1.3797600613
H             1.7146097780        1.0217578112       -2.1298765898
H             0.3613081696        0.4162484169       -1.7102440418
O            -0.0131045424       -2.5562311171        0.0399670805
H             0.5814274208       -1.8603571666        0.4232185188
H             0.4465439617       -3.3915978135        0.1204372794
O            -2.3458840106       -1.3394361167        0.8043768953
H            -3.1280496216       -1.8514681852        1.0082910295
H            -1.6334463056       -1.9792352021        0.6403427878
O            -0.8667234686        0.4431237007        2.4155497905
H            -1.0986908610        0.4393297413        3.3435035933
H            -1.5250714437       -0.1138059552        1.9733346559
O             1.3534089473       -0.5306195173        0.9896334696
H             0.7384323441       -0.0854931141        1.5919899175
H             1.4410162894        0.0653546520        0.2274418116
O            -1.0408112104       -0.7464864748       -1.9128714583
H            -0.6800093649       -1.5427397954       -1.5005470450
H            -1.7719051690       -0.5201961881       -1.3317194560
    18
 Energy=    -44.7851023244496
O             1.1311564010        0.8961376773       -1.3749990758
H             1.7126486528        1.0150402874       -2.1253174839
H             0.3581995793        0.4084926137       -1.7092659323
O            -0.0142670192       -2.5537212945        0.0394674849
H             0.5830283375       -1.8575675816        0.4222274636
H             0.4473181742       -3.3871490147        0.1139864503
O            -2.3479515583       -1.3350635346        0.8028738216
H            -3.1262945427       -1.8510652231        1.0104886307
H            -1.6337576860       -1.9749379381        0.6407337843
O            -0.8641816308        0.4406773991        2.4168381006
H            -1.0969883418        0.4406277915        3.3449406467
H            -1.5243004942       -0.1145977952        1.9759438606
O             1.3548782924       -0.5293619139        0.9908134657
H             0.7435285288       -0.0864634279        1.5981558414
H             1.4369028919        0.0689863109        0.2299832574
O            -1.0403282034       -0.7505708905       -1.9205508990
H            -0.6770453969       -1.5428700837       -1.5025308154
H            -1.7713159305       -0.5213195585       -1.3407204244
    18
 Energy=    -44.7746114906129
O             1.1272492206        0.8973507363       -1.3717671990
H             1.7137344637        1.0034339927       -2.1200839515
H             0.3565133466        0.4055898506       -1.7048768300
O            -0.0149296494       -2.5497831175        0.0379227572
H             0.5854152885       -1.8567538468        0.4195429524
H             0.4486704373       -3.3828841338        0.1010841404
O            -2.3519446267       -1.3379369806        0.8048243476
H            -3.1256333627       -1.8581812202        1.0190503311
H            -1.6348235331       -1.9736117612        0.6415822289
O            -0.8619298026        0.4406713665        2.4162092893
H            -1.0963061976        0.4511908040        3.3436638668
H            -1.5253749880       -0.1140328853        1.9787878234
O             1.3575393294       -0.5299646857        0.9940154287
H             0.7489135860       -0.0884470634        1.6051553005
H             1.4360668917        0.0700989449        0.2344729249
O            -1.0406122173       -0.7526681492       -1.9291333495
H            -0.6739393735       -1.5381743638       -1.5001795000
H            -1.7773787582       -0.5206236649       -1.3572023837
    18
 Energy=    -44.7696139538254
O             1.1289654551        0.8979447458       -1.3704466338
H             1.7167144096        0.9979718479       -2.1187812586
H             0.3572656208        0.4065293785       -1.7020588670
O            -0.0156254354       -2.5486778247        0.0364297763
H             0.5860358149       -1.8568285079        0.4180137088
H             0.4488830495       -3.3814919042        0.0930290832
O            -2.3542094932       -1.3432374924        0.8088390155
H            -3.1249225696       -1.8662415709        1.0272882489
H            -1.6352636590       -1.9762289891        0.6429322607
O            -0.8626284306        0.4414326780        2.4118281166
H            -1.0980254702        0.4604798308        3.3383833547
H            -1.5273376833       -0.1146919338        1.9784415652
O             1.3588601503       -0.5311535441        0.9955818091
H             0.7500896775       -0.0894442920        1.6065732609
H             1.4376328528        0.0691458448        0.2363611610
O            -1.0405459429       -0.7500794092       -1.9301009258
H            -0.6740409619       -1.5333932310       -1.4970033458
H            -1.7806173285       -0.5167618021       -1.3622421535
    18
 Energy=    -44.7646852992904
O             1.1287781839        0.8987431138       -1.3700879435
H             1.7181043595        0.9939382111       -2.1172551829
H             0.3569986820        0.4075530201       -1.6998259190
O            -0.0159754874       -2.5478392305        0.0361854563
H             0.5876215521       -1.8559151318        0.4165328135
H             0.4496877581       -3.3809527319        0.0880843656
O            -2.3559545852       -1.3447733784        0.8097109247
H            -3.1255616881       -1.8695383656        1.0303113348
H            -1.6352167369       -1.9770070128        0.6429579198
O            -0.8613789472        0.4423602382        2.4118493719
H            -1.0982228030        0.4650351135        3.3385961599
H            -1.5273414851       -0.1134206561        1.9805232934
O             1.3600093724       -0.5319934987        0.9973833447
H             0.7514855855       -0.0898715625        1.6087168819
H             1.4379053084        0.0685517501        0.2378796676
O            -1.0404790114       -0.7506878606       -1.9327226106
H            -0.6740479256       -1.5307747706       -1.4955889258
H            -1.7851820759       -0.5181334228       -1.3701827741
    18
 Energy=    -44.7599274946429
O             1.1380180906        0.8993562556       -1.3690723426
H             1.7256281070        0.9886840112       -2.1179628787
H             0.3616675264        0.4139736778       -1.6951759813
O            -0.0171861758       -2.5481594589        0.0335460238
H             0.5874897404       -1.8569304409        0.4143386529
H             0.4499096546       -3.3805911779        0.0766923295
O            -2.3590188169       -1.3569284210        0.8183658356
H            -3.1241890526       -1.8857299548        1.0447390651
H            -1.6358575670       -1.9856215912        0.6465374287
O            -0.8646693780        0.4452093669        2.4019765832
H            -1.1034136932        0.4825970846        3.3266863563
H            -1.5306795680       -0.1151950104        1.9781667088
O             1.3609510644       -0.5351153314        0.9988596242
H             0.7502593907       -0.0908003012        1.6066859452
H             1.4429658218        0.0646597220        0.2390833442
O            -1.0410319628       -0.7415308831       -1.9279629462
H            -0.6776873622       -1.5216189756       -1.4887576724
H            -1.7919257655       -0.5109847474       -1.3736778989
    18
 Energy=    -44.7532479444475
O             1.1419212090        0.9008670863       -1.3672536499
H             1.7306609578        0.9808295264       -2.1166813293
H             0.3612903983        0.4162593510       -1.6914224208
O            -0.0164575845       -2.5465554726        0.0292818796
H             0.5862783123       -1.8575139175        0.4146622107
H             0.4498681264       -3.3799708894        0.0649252168
O            -2.3620034086       -1.3660970834        0.8255440695
H            -3.1237074138       -1.8979387923        1.0571244056
H            -1.6364981257       -1.9893877803        0.6481881408
O            -0.8665659275        0.4465804488        2.3952221523
H            -1.1053729211        0.4971371231        3.3202913368
H            -1.5345187775       -0.1162168706        1.9754824997
O             1.3636263692       -0.5365802708        1.0008577825
H             0.7516026425       -0.0932888628        1.6079214448
H             1.4466371930        0.0637929540        0.2419708640
O            -1.0406232668       -0.7369865290       -1.9296200015
H            -0.6785496563       -1.5142334603       -1.4825056980
H            -1.7963580716       -0.5054227356       -1.3809207281
    18
 Energy=    -44.7245945172075
O             1.1585371563        0.9025268701       -1.3639313865
H             1.7477674638        0.9579374533       -2.1160462524
H             0.3681969645        0.4325161041       -1.6817114372
O            -0.0167650667       -2.5407718909        0.0119434731
H             0.5860668961       -1.8635961125        0.4180345202
H             0.4471002319       -3.3763904221        0.0283115377
O            -2.3733276000       -1.4008812427        0.8525105404
H            -3.1175944381       -1.9475992817        1.1055772840
H            -1.6419233289       -2.0113135853        0.6563739444
O            -0.8784578056        0.4538525067        2.3619107799
H            -1.1185277594        0.5496392369        3.2845566379
H            -1.5479595540       -0.1242723438        1.9640639588
O             1.3708871269       -0.5447556480        1.0061394014
H             0.7489459597       -0.1024765356        1.6039761778
H             1.4636100942        0.0576061508        0.2494937236
O            -1.0392194707       -0.7148995967       -1.9206641732
H            -0.6859121192       -1.4894343272       -1.4608588278
H            -1.8001946951       -0.4724135118       -1.3866117256
    18
 Energy=    -44.7179220990630
O             1.1617835919        0.9032386690       -1.3634329984
H             1.7512608657        0.9522295892       -2.1161389064
H             0.3693531172        0.4374369242       -1.6805784143
O            -0.0167446141       -2.5384562191        0.0088638352
H             0.5883377708       -1.8652152060        0.4177173862
H             0.4457229210       -3.3749657245        0.0199720903
O            -2.3765205510       -1.4096361563        0.8581007977
H            -3.1155805756       -1.9593194610        1.1172354289
H            -1.6444862302       -2.0168607190        0.6577752585
O            -0.8811366140        0.4563996772        2.3540377298
H            -1.1223926280        0.5615847258        3.2746807598
H            -1.5502922087       -0.1260083715        1.9630457452
O             1.3726024986       -0.5469886609        1.0083426691
H             0.7474590097       -0.1049236145        1.6023783720
H             1.4676884477        0.0547979730        0.2517026328
O            -1.0381356138       -0.7099584353       -1.9176393783
H            -0.6880502020       -1.4849320819       -1.4562201473
H            -1.7996389305       -0.4631490840       -1.3867746829
    18
 Energy=    -44.7102119206274
O             1.1582631260        0.9047301940       -1.3638112298
H             1.7498973814        0.9474100242       -2.1144904068
H             0.3657803980        0.4397576831       -1.6816779332
O            -0.0148880567       -2.5358675169        0.0080273354
H             0.5926713964       -1.8651622058        0.4178873874
H             0.4445920220       -3.3731514283        0.0170074137
O            -2.3786578903       -1.4095423564        0.8568491080
H            -3.1162194666       -1.9602999301        1.1185707511
H            -1.6465954345       -2.0163413525        0.6556304173
O            -0.8797638068        0.4582554335        2.3566365565
H            -1.1217054415        0.5632418926        3.2762551835
H            -1.5490675044       -0.1242705717        1.9664294566
O             1.3749138897       -0.5475824853        1.0110779739
H             0.7475917500       -0.1069914815        1.6041955767
H             1.4682820103        0.0538421232        0.2544534532
O            -1.0363552914       -0.7130548617       -1.9207286949
H            -0.6876317490       -1.4867568283       -1.4556505284
H            -1.7998772775       -0.4629425092       -1.3935936407
    18
 Energy=    -44.7087470715068
O             1.1589133750        0.9048909566       -1.3638739272
H             1.7502881998        0.9467013925       -2.1143976855
H             0.3658795861        0.4404412962       -1.6815405837
O            -0.0148636313       -2.5356167120        0.0077294329
H             0.5930297569       -1.8653305522        0.4177496602
H             0.4444153066       -3.3729714521        0.0159471604
O            -2.3790790131       -1.4105992883        0.8575130816
H            -3.1160315064       -1.9618233066        1.1200238331
H            -1.6468832140       -2.0171392887        0.6557930884
O            -0.8800837328        0.4586508257        2.3558045696
H            -1.1222172716        0.5647208485        3.2748740657
H            -1.5492887904       -0.1243983756        1.9664551676
O             1.3751383544       -0.5479026551        1.0113599681
H             0.7473568395       -0.1072525697        1.6039811859
H             1.4687916479        0.0533880332        0.2547531255
O            -1.0361863499       -0.7124187312       -1.9203187763
H            -0.6879340171       -1.4862081241       -1.4550636674
H            -1.8000154854       -0.4618584749       -1.3937215204
    18
 Energy=    -44.7024144267709
O             1.1520835483        0.9070219909       -1.3641177365
H             1.7467539472        0.9441609345       -2.1127463956
H             0.3604336906        0.4408538692       -1.6832075090
O            -0.0121723440       -2.5332814321        0.0090950648
H             0.5975903607       -1.8639707621        0.4178608333
H             0.4447364379       -3.3721845175        0.0178647704
O            -2.3801074085       -1.4045515834        0.8507756771
H            -3.1187234489       -1.9542097321        1.1123635034
H            -1.6480407091       -2.0121669233        0.6520913431
O            -0.8757671678        0.4600113052        2.3665093939
H            -1.1181535693        0.5588593784        3.2861927600
H            -1.5446944962       -0.1198463415        1.9731315362
O             1.3766444135       -0.5473972010        1.0139963512
H             0.7489576843       -0.1084214860        1.6077342508
H             1.4666782011        0.0538008974        0.2567372233
O            -1.0352324698       -0.7208892920       -1.9278130447
H            -0.6868958341       -1.4911317947       -1.4574310762
H            -1.8028607807       -0.4713834864       -1.4059687693
    18
 Energy=    -44.6988548304841
O             1.1506070018        0.9079198222       -1.3640468758
H             1.7459156091        0.9432721456       -2.1123018558
H             0.3587400483        0.4412718913       -1.6836223737
O            -0.0112768499       -2.5325906155        0.0095962267
H             0.5990386706       -1.8636123470        0.4176932604
H             0.4449745147       -3.3719551028        0.0182249488
O            -2.3805221466       -1.4027372507        0.8487533912
H            -3.1197692383       -1.9522414837        1.1100921427
H            -1.6482877608       -2.0109741236        0.6509935733
O            -0.8745407143        0.4605957279        2.3701840202
H            -1.1168515104        0.5575675084        3.2896978803
H            -1.5430749303       -0.1182626077        1.9753029545
O             1.3771141138       -0.5474025307        1.0148804066
H             0.7493922251       -0.1087364342        1.6089214684
H             1.4661657152        0.0537314819        0.2573097189
O            -1.0349641571       -0.7233905111       -1.9301153619
H            -0.6869116322       -1.4923123728       -1.4579936045
H            -1.8045189034       -0.4748693737       -1.4105017438
    18
 Energy=    -44.6853456587491
O             1.1656528799        0.9087679030       -1.3633644061
H             1.7571451260        0.9377507169       -2.1145857214
H             0.3650832605        0.4537359923       -1.6786921902
O            -0.0136524047       -2.5337166248        0.0091834983
H             0.6016201181       -1.8644508273        0.4113088616
H             0.4448775545       -3.3722945814        0.0037333799
O            -2.3838951210       -1.4213139655        0.8614295860
H            -3.1176224457       -1.9743891290        1.1289123468
H            -1.6506314496       -2.0245018175        0.6546412597
O            -0.8789893418        0.4657608503        2.3567854014
H            -1.1250311063        0.5823426488        3.2740023314
H            -1.5471164579       -0.1206769292        1.9718613717
O             1.3782872192       -0.5518330863        1.0183537210
H             0.7454351492       -0.1089661186        1.6042670872
H             1.4736617626        0.0448815978        0.2583876707
O            -1.0345935516       -0.7082297428       -1.9195396331
H            -0.6944796142       -1.4814719967       -1.4487753577
H            -1.8145215224       -0.4661210670       -1.4148410294
    18
 Energy=    -44.6767272513062
O             1.1762837905        0.9079892316       -1.3628793336
H             1.7648243703        0.9355665928       -2.1165573887
H             0.3706744697        0.4602762203       -1.6755899096
O            -0.0159008243       -2.5349456178        0.0085592275
H             0.6009165330       -1.8658173994        0.4074489378
H             0.4441931497       -3.3725816613       -0.0054203938
O            -2.3853741094       -1.4340176554        0.8720718815
H            -3.1151526317       -1.9905402701        1.1435737772
H            -1.6512929675       -2.0345470050        0.6579098738
O            -0.8840287494        0.4675650813        2.3439152543
H            -1.1313989004        0.5987692998        3.2592303192
H            -1.5517410993       -0.1243223995        1.9663326698
O             1.3785088759       -0.5544085332        1.0194065695
H             0.7424111469       -0.1087270319        1.5999660621
H             1.4788275990        0.0398285150        0.2581830087
O            -1.0339917170       -0.6958098949       -1.9101849536
H            -0.6988499168       -1.4736497220       -1.4425874425
H            -1.8176789648       -0.4553539260       -1.4103099809
    18
 Energy=    -44.6517291817914
O             1.1962761008        0.9041141360       -1.3626652935
H             1.7797728782        0.9332896264       -2.1211404215
H             0.3846394047        0.4693622722       -1.6697352427
O            -0.0212517635       -2.5376822609        0.0052014895
H             0.5963915900       -1.8694055029        0.4020525650
H             0.4406193611       -3.3727601930       -0.0228009530
O            -2.3879542455       -1.4616968043        0.8957716637
H            -3.1073782938       -2.0252198923        1.1781156359
H            -1.6520609261       -2.0553324297        0.6666356938
O            -0.8976140672        0.4689658126        2.3093674804
H            -1.1471138386        0.6299264634        3.2180313404
H            -1.5639676962       -0.1353760928        1.9522739221
O             1.3779189574       -0.5591326565        1.0189917940
H             0.7356075294       -0.1086104703        1.5884812723
H             1.4892503879        0.0313928757        0.2572407787
O            -1.0323699104       -0.6684963779       -1.8876854075
H            -0.7056679178       -1.4569891760       -1.4306758575
H            -1.8138674941       -0.4210755061       -1.3843922808
    18
 Energy=    -44.6445220511079
O             1.2003585129        0.9062434054       -1.3609114518
H             1.7808881352        0.9321432148       -2.1212895989
H             0.3843844834        0.4730155861       -1.6687072493
O            -0.0217015729       -2.5380691906        0.0051880313
H             0.5975971987       -1.8700553925        0.4015318140
H             0.4438557510       -3.3729911702       -0.0233320819
O            -2.3876238570       -1.4605426145        0.8940672879
H            -3.1097716885       -2.0246978285        1.1738764731
H            -1.6523984779       -2.0554680091        0.6666748498
O            -0.8943950293        0.4716912390        2.3170042790
H            -1.1446788833        0.6332256053        3.2277165980
H            -1.5625242725       -0.1335118131        1.9531170324
O             1.3774043486       -0.5599435973        1.0202467284
H             0.7366388814       -0.1083919265        1.5902352228
H             1.4900614125        0.0309770049        0.2563627502
O            -1.0342449458       -0.6695194005       -1.8902712601
H            -0.7086027967       -1.4551112614       -1.4294086899
H            -1.8240171460       -0.4337200265       -1.3990325560
    18
 Energy=    -44.5715175623163
O             1.2428315863        0.9081307347       -1.3567762893
H             1.8059641577        0.9268805887       -2.1293193720
H             0.4127681810        0.4968506468       -1.6522220627
O            -0.0263411808       -2.5438301388       -0.0050805592
H             0.5910969916       -1.8795584574        0.3983166135
H             0.4486894203       -3.3716244287       -0.0480454144
O            -2.3954276494       -1.5005800251        0.9159968724
H            -3.1032543922       -2.0732622125        1.2108102361
H            -1.6545066992       -2.0852961618        0.6867465299
O            -0.9097944311        0.4821010614        2.2891670244
H            -1.1616191532        0.6867831963        3.1907132700
H            -1.5662224163       -0.1392895461        1.9453615637
O             1.3722624281       -0.5699227466        1.0146965683
H             0.7298480340       -0.1093483517        1.5774697642
H             1.5078256782        0.0172495555        0.2548893761
O            -1.0431035106       -0.6352519716       -1.8718232035
H            -0.7280499506       -1.4214877389       -1.4065730797
H            -1.8517370396       -0.4232701799       -1.4012596602
    18
 Energy=    -44.5501134201932
O             1.2652974309        0.9075332541       -1.3554475488
H             1.8212498261        0.9249174556       -2.1342293742
H             0.4281774830        0.5085375824       -1.6428216282
O            -0.0285240877       -2.5471069172       -0.0109810267
H             0.5854700972       -1.8832602310        0.3972736765
H             0.4495526984       -3.3725864291       -0.0627837172
O            -2.3997040951       -1.5241968608        0.9303829502
H            -3.0990567286       -2.1018155688        1.2350045962
H            -1.6543061328       -2.1028474775        0.6979948986
O            -0.9168510679        0.4887575788        2.2696063353
H            -1.1738523085        0.7144592876        3.1617288334
H            -1.5724936373       -0.1447916772        1.9405725092
O             1.3687189014       -0.5760606014        1.0132556886
H             0.7266382081       -0.1102016000        1.5676172819
H             1.5176586744        0.0113452386        0.2534804964
O            -1.0487479033       -0.6155822268       -1.8557962704
H            -0.7336757382       -1.4049816269       -1.3955492115
H            -1.8643215645       -0.4068453568       -1.3962403115
    18
 Energy=    -44.5213402398933
O             1.2908800938        0.9056130427       -1.3548858563
H             1.8384587689        0.9230686530       -2.1395099357
H             0.4444918355        0.5191125495       -1.6337371737
O            -0.0327772777       -2.5505791263       -0.0174873089
H             0.5791290018       -1.8866174544        0.3953733365
H             0.4481304836       -3.3741411210       -0.0807258319
O            -2.4041513148       -1.5540352602        0.9507656405
H            -3.0917808228       -2.1373626686        1.2684197085
H            -1.6545487763       -2.1242007652        0.7106051188
O            -0.9284081249        0.4931645726        2.2371283091
H            -1.1909473987        0.7464128031        3.1204150908
H            -1.5819364798       -0.1530382575        1.9324746019
O             1.3669069729       -0.5826891650        1.0096793108
H             0.7203924869       -0.1102058042        1.5554741485
H             1.5287230198        0.0032989945        0.2532392932
O            -1.0527016848       -0.5904088702       -1.8331707599
H            -0.7391869457       -1.3859152436       -1.3833237843
H            -1.8694437830       -0.3762030567       -1.3776657302
    18
 Energy=    -44.5171426689772
O             1.2951760518        0.9048553723       -1.3550379217
H             1.8414026831        0.9227967721       -2.1402625087
H             0.4471676200        0.5207268267       -1.6324428680
O            -0.0336752818       -2.5512699984       -0.0184213707
H             0.5778493882       -1.8872226472        0.3947286301
H             0.4474581565       -3.3743446969       -0.0840562920
O            -2.4045294899       -1.5591424840        0.9552061081
H            -3.0903373999       -2.1442163211        1.2751198586
H            -1.6545761370       -2.1283341684        0.7125672862
O            -0.9302785868        0.4935912652        2.2298498323
H            -1.1945131043        0.7519094533        3.1122163539
H            -1.5846328112       -0.1549436657        1.9303956857
O             1.3667327464       -0.5837725996        1.0093321720
H             0.7191610144       -0.1100848503        1.5530802061
H             1.5306914290        0.0019577053        0.2531174101
O            -1.0527762877       -0.5847855793       -1.8289114959
H            -0.7400720473       -1.3829151975       -1.3807448338
H            -1.8690178894       -0.3695313632       -1.3726680738
    18
 Energy=    -44.5153558493302
O             1.2996660838        0.9038413592       -1.3550823214
H             1.8445969371        0.9224771292       -2.1413742546
H             0.4503110479        0.5218209307       -1.6314747237
O            -0.0353892821       -2.5516350460       -0.0194674710
H             0.5768438088       -1.8880204340        0.3936924372
H             0.4462033313       -3.3744443521       -0.0879637327
O            -2.4049359333       -1.5658742504        0.9609684598
H            -3.0878684932       -2.1528772261        1.2842789969
H            -1.6551228587       -2.1332660983        0.7149121204
O            -0.9340144858        0.4937300262        2.2201066826
H            -1.1988308854        0.7583959148        3.0999541922
H            -1.5879878721       -0.1580562017        1.9270326897
O             1.3666064582       -0.5848836542        1.0090113734
H             0.7172612779       -0.1101195462        1.5499474811
H             1.5330216882        0.0001084736        0.2529158668
O            -1.0520054424       -0.5779880460       -1.8235296979
H            -0.7420846925       -1.3784535672       -1.3778622590
H            -1.8650406326       -0.3594815885       -1.3629976616
    18
 Energy=    -44.4731444580721
O             1.3143385656        0.9002632745       -1.3554549988
H             1.8540349226        0.9214025006       -2.1441114756
H             0.4593858878        0.5251783100       -1.6292973788
O            -0.0413704078       -2.5540478727       -0.0225653914
H             0.5737822604       -1.8904212489        0.3900509236
H             0.4417773571       -3.3740330504       -0.1003745150
O            -2.4055364245       -1.5875481665        0.9806783260
H            -3.0804213411       -2.1799199207        1.3134837333
H            -1.6563668072       -2.1484436935        0.7213561873
O            -0.9473439820        0.4920026474        2.1884049271
H            -1.2116686044        0.7807699559        3.0634422899
H            -1.5989143818       -0.1686567505        1.9132546374
O             1.3653280553       -0.5878020054        1.0102035227
H             0.7121397943       -0.1107347714        1.5396790438
H             1.5409126845       -0.0049120979        0.2508634702
O            -1.0468553905       -0.5566823831       -1.8056359645
H            -0.7476070726       -1.3651789812       -1.3694214463
H            -1.8543850611       -0.3259619220       -1.3314877157
    18
 Energy=    -44.4050433797694
O             1.3468414883        0.8918393794       -1.3562495096
H             1.8769931722        0.9188690446       -2.1521743600
H             0.4841113585        0.5321424922       -1.6232893657
O            -0.0541762127       -2.5557564909       -0.0292414090
H             0.5658311778       -1.8977109616        0.3805841237
H             0.4305720939       -3.3736549212       -0.1302071053
O            -2.4106095602       -1.6412298969        1.0271540575
H            -3.0609664484       -2.2459807120        1.3862370009
H            -1.6586384020       -2.1860033001        0.7376721156
O            -0.9813215857        0.4915072314        2.1133124204
H            -1.2423936628        0.8351077035        2.9686267563
H            -1.6251464676       -0.1984447881        1.8796566357
O             1.3653156741       -0.5949907640        1.0069340510
H             0.6960473649       -0.1114085555        1.5162957014
H             1.5591139334       -0.0203042273        0.2491387244
O            -1.0423604203       -0.5037860628       -1.7602495983
H            -0.7606329763       -1.3341295309       -1.3495416851
H            -1.8173504733       -0.2407918156       -1.2515903768
    18
 Energy=    -44.3885602994367
O             1.3562513466        0.8900409463       -1.3567696394
H             1.8833242889        0.9181700128       -2.1545819065
H             0.4915285474        0.5334446608       -1.6213237332
O            -0.0574355589       -2.5559835847       -0.0315212684
H             0.5640902384       -1.8997086064        0.3781844157
H             0.4269578965       -3.3731472302       -0.1385063501
O            -2.4131296530       -1.6571621060        1.0393202849
H            -3.0542893628       -2.2650030394        1.4074232737
H            -1.6599962125       -2.1968616158        0.7432502197
O            -0.9915638577        0.4916583993        2.0905877322
H            -1.2519991727        0.8497523845        2.9395710139
H            -1.6312859389       -0.2062501373        1.8722543517
O             1.3646329327       -0.5974082822        1.0062406858
H             0.6915403546       -0.1122136747        1.5088800801
H             1.5641464946       -0.0247883549        0.2486750109
O            -1.0424953342       -0.4892292171       -1.7480021943
H            -0.7654298025       -1.3240099749       -1.3437961751
H            -1.8036171521       -0.2160267564       -1.2268176244
    18
 Energy=    -44.3172168905121
O             1.3665582367        0.8883372738       -1.3575821009
H             1.8900324814        0.9174378362       -2.1570072856
H             0.4996102205        0.5346859749       -1.6190784314
O            -0.0604525554       -2.5565320569       -0.0340011940
H             0.5621592483       -1.9015971645        0.3757451330
H             0.4227457657       -3.3723925553       -0.1474445246
O            -2.4180986933       -1.6761579908        1.0533492417
H            -3.0465873018       -2.2838363527        1.4296434670
H            -1.6601403542       -2.2083549223        0.7487409324
O            -1.0044182218        0.4914638374        2.0673729554
H            -1.2613369462        0.8670137904        2.9086949877
H            -1.6367551987       -0.2154713071        1.8629590478
O             1.3637624442       -0.5998346841        1.0054681612
H             0.6867379577       -0.1134356324        1.5009323428
H             1.5696693414       -0.0297460991        0.2480542555
O            -1.0447056521       -0.4757192689       -1.7311300033
H            -0.7691444590       -1.3130221538       -1.3399598260
H            -1.7884062599       -0.1875647011       -1.2016889823
    18
 Energy=    -44.2622724756092
O             1.3780704886        0.8857743338       -1.3578642899
H             1.8978980033        0.9165242818       -2.1602850711
H             0.5084112421        0.5363831040       -1.6169230959
O            -0.0654879753       -2.5561599302       -0.0371638890
H             0.5605569797       -1.9049193851        0.3725170570
H             0.4188260796       -3.3716349981       -0.1574318719
O            -2.4182796150       -1.6907439978        1.0663883557
H            -3.0364420790       -2.3107043049        1.4563236418
H            -1.6656496518       -2.2239109157        0.7576769289
O            -1.0097535211        0.4933704513        2.0334063020
H            -1.2779209346        0.8783483911        2.8702399886
H            -1.6478978109       -0.2211226317        1.8607933742
O             1.3628723702       -0.6038818964        1.0049871501
H             0.6811542148       -0.1135044124        1.4910469530
H             1.5752970479       -0.0347301682        0.2479446463
O            -1.0384131234       -0.4542037707       -1.7266746316
H            -0.7828768803       -1.2947579979       -1.3261084873
H            -1.7691347787       -0.1648523276       -1.1658048834
    18
 Energy=    -44.2378257843438
O             1.4027594583        0.8814853434       -1.3594115484
H             1.9145525065        0.9147343428       -2.1668078672
H             0.5281950756        0.5393634465       -1.6114292869
O            -0.0738966210       -2.5565415923       -0.0435170735
H             0.5564424043       -1.9099306768        0.3665720737
H             0.4091632771       -3.3702367907       -0.1790706022
O            -2.4252030679       -1.7335493824        1.0975392035
H            -3.0180698923       -2.3605058931        1.5118836766
H            -1.6702221275       -2.2521740923        0.7731993809
O            -1.0384609745        0.4933338932        1.9738503987
H            -1.3034798715        0.9151000211        2.7909573350
H            -1.6617491285       -0.2392953039        1.8438245405
O             1.3605025992       -0.6102849573        1.0031697487
H             0.6695941157       -0.1161303064        1.4708768144
H             1.5882539974       -0.0467211822        0.2470813340
O            -1.0415202812       -0.4152831501       -1.6943098659
H            -0.7962907414       -1.2673809556       -1.3105422063
H            -1.7293406728       -0.1007089395       -1.1007978792
    18
 Energy=    -44.2144233310386
O             1.4373341615        0.8755407681       -1.3616536160
H             1.9378235672        0.9122376917       -2.1758521750
H             0.5559136938        0.5435198299       -1.6037076896
O            -0.0854030597       -2.5572154522       -0.0523216315
H             0.5505384466       -1.9168146345        0.3582780374
H             0.3955107183       -3.3682533672       -0.2093859729
O            -2.4355193779       -1.7943594852        1.1415555787
H            -2.9926600044       -2.4294991056        1.5894788775
H            -1.6758684383       -2.2913433307        0.7944987150
O            -1.0798340522        0.4930346188        1.8916267827
H            -1.3383849382        0.9678053544        2.6805529739
H            -1.6805874507       -0.2655980855        1.8187671299
O             1.3571734781       -0.6190508573        1.0006063109
H             0.6534473585       -0.1199792520        1.4427927550
H             1.6064974290       -0.0635691658        0.2457553575
O            -1.0468532680       -0.3619406065       -1.6468350647
H            -0.8137601354       -1.2297748590       -1.2902725408
H            -1.6741380742       -0.0094662386       -1.0108156493
    18
 Energy=    -44.2128233004806
O             1.4427328745        0.8739889212       -1.3620553793
H             1.9415380973        0.9117159127       -2.1772141487
H             0.5600280758        0.5443767782       -1.6028659900
O            -0.0878553613       -2.5574357537       -0.0536421887
H             0.5491776852       -1.9182349413        0.3568055829
H             0.3928743801       -3.3677943150       -0.2147292248
O            -2.4365702453       -1.8039087778        1.1499022940
H            -2.9873948961       -2.4410120127        1.6026942609
H            -1.6769348817       -2.2975972617        0.7982440054
O            -1.0869843181        0.4920701253        1.8760230056
H            -1.3449916451        0.9751390960        2.6600366738
H            -1.6848797014       -0.2697919056        1.8141324425
O             1.3568821333       -0.6203396450        1.0003721299
H             0.6510480679       -0.1204492899        1.4381296302
H             1.6094343734       -0.0662475906        0.2456153374
O            -1.0472866015       -0.3520214058       -1.6385453122
H            -0.8174315609       -1.2225003599       -1.2865355551
H            -1.6621564212        0.0053162493       -0.9932993851
    18
 Energy=    -44.2145176470734
O             1.4481315874        0.8724370744       -1.3624571437
H             1.9452526275        0.9111941335       -2.1785761234
H             0.5641424577        0.5452337265       -1.6020242904
O            -0.0903076629       -2.5576560563       -0.0549627460
H             0.5478169239       -1.9196552480        0.3553331283
H             0.3902380420       -3.3673352628       -0.2200724766
O            -2.4376211126       -1.8134580693        1.1582490103
H            -2.9821297888       -2.4525249188        1.6159096432
H            -1.6780013261       -2.3038511937        0.8019892960
O            -1.0941345840        0.4911056319        1.8604192295
H            -1.3515983520        0.9824728377        2.6395203736
H            -1.6891719521       -0.2739857256        1.8094977551
O             1.3565907875       -0.6216284327        1.0001379489
H             0.6486487772       -0.1209193278        1.4334665054
H             1.6123713177       -0.0689260155        0.2454753173
O            -1.0477199350       -0.3421022052       -1.6302555607
H            -0.8211029865       -1.2152258617       -1.2827985693
H            -1.6501747672        0.0200987372       -0.9757831211
    18
 Energy=    -44.2158500617368
O             1.4512834961        0.8710556799       -1.3627469751
H             1.9474748466        0.9107933826       -2.1793492389
H             0.5663932005        0.5459095349       -1.6017995092
O            -0.0922409081       -2.5578625117       -0.0557296216
H             0.5467261102       -1.9207935404        0.3543007547
H             0.3883414648       -3.3669228367       -0.2236153101
O            -2.4377906435       -1.8189560434        1.1642439226
H            -2.9778981065       -2.4598366535        1.6243365458
H            -1.6789891585       -2.3077281766        0.8046171897
O            -1.0986444291        0.4898141587        1.8490865268
H            -1.3565169443        0.9856518444        2.6248793831
H            -1.6927011898       -0.2760514100        1.8066338993
O             1.3565719660       -0.6223322565        1.0001370714
H             0.6473848900       -0.1210634394        1.4305025553
H             1.6141173451       -0.0705187215        0.2454963426
O            -1.0475617942       -0.3348427323       -1.6249608679
H            -0.8244199164       -1.2094916594       -1.2798550348
H            -1.6403001737        0.0284492051       -0.9631094568
    18
 Energy=    -44.2293040817160
O             1.4649066130        0.8652270632       -1.3639707207
H             1.9570695382        0.9090819069       -2.1827133976
H             0.5761151920        0.5487502107       -1.6007857281
O            -0.1004905532       -2.5587497460       -0.0589898352
H             0.5420068072       -1.9255091906        0.3499475153
H             0.3801530466       -3.3652921318       -0.2389276167
O            -2.4386337432       -1.8429647758        1.1898805964
H            -2.9604494046       -2.4913243094        1.6609779445
H            -1.6825887643       -2.3240785124        0.8156233032
O            -1.1185191065        0.4844467169        1.8008193404
H            -1.3770941594        1.0008105799        2.5627286584
H            -1.7078317160       -0.2863701346        1.7931620830
O             1.3565628750       -0.6253722124        1.0000947234
H             0.6418159654       -0.1217832617        1.4179044243
H             1.6217603059       -0.0773969987        0.2454125031
O            -1.0471641143       -0.3044108742       -1.6016583210
H            -0.8372632734       -1.1862494313       -1.2681829399
H            -1.5991254550        0.0664589230       -0.9082543544
    18
 Energy=    -44.2707138120811
O             1.4833985822        0.8572997711       -1.3656353032
H             1.9700887408        0.9067555607       -2.1872689385
H             0.5893156812        0.5526221293       -1.5994165236
O            -0.1116966009       -2.5599573061       -0.0634078270
H             0.5355896710       -1.9319239713        0.3440243857
H             0.3690381644       -3.3630706655       -0.2597183761
O            -2.4397807122       -1.8755885584        1.2247162587
H            -2.9367031095       -2.5340323173        1.7106821562
H            -1.6875074845       -2.3462768747        0.8305836474
O            -1.1455498005        0.4771673277        1.7353711192
H            -1.4050082211        1.0212689544        2.4782482694
H            -1.7283639345       -0.3002862074        1.7748930068
O             1.3565439050       -0.6294707798        1.0000338183
H             0.6342757047       -0.1227616393        1.4007863676
H             1.6321279480       -0.0867450464        0.2453208069
O            -1.0465551948       -0.2632067434       -1.5701004993
H            -0.8547011963       -1.1545942651       -1.2523213152
H            -1.5432820883        0.1180744550       -0.8337228774
    18
 Energy=    -44.3353600752426
O             1.5016366939        0.8494251635       -1.3674522710
H             1.9828970039        0.9044496876       -2.1916236099
H             0.6026018196        0.5565467245       -1.5979883097
O            -0.1225704752       -2.5612546473       -0.0676847920
H             0.5291194617       -1.9382492478        0.3381200323
H             0.3579355864       -3.3607487905       -0.2803143100
O            -2.4415179156       -1.9095088947        1.2596093407
H            -2.9125222516       -2.5751317445        1.7592226996
H            -1.6925368176       -2.3677547236        0.8455040796
O            -1.1748946421        0.4696752743        1.6729972621
H            -1.4314339560        1.0406227627        2.3928345473
H            -1.7471653795       -0.3127574022        1.7566009698
O             1.3562852740       -0.6329359515        0.9998163198
H             0.6271517234       -0.1240592449        1.3836292734
H             1.6423177121       -0.0963091690        0.2455469614
O            -1.0480332524       -0.2241900241       -1.5376571708
H            -0.8711693530       -1.1224572474       -1.2376238070
H            -1.4868711756        0.1699112991       -0.7604690383
    18
 Energy=    -44.4053322458209
O             1.5170597265        0.8427258558       -1.3690846100
H             1.9937587663        0.9024929555       -2.1952532180
H             0.6141244836        0.5599500660       -1.5967069958
O            -0.1315457118       -2.5624567840       -0.0711981199
H             0.5234726742       -1.9435860327        0.3330631140
H             0.3483654150       -3.3586642140       -0.2978640067
O            -2.4431183456       -1.9395172570        1.2891595422
H            -2.8918259536       -2.6095225492        1.8003869541
H            -1.6969381258       -2.3854078566        0.8582984375
O            -1.2019990902        0.4625393186        1.6214402854
H            -1.4529193122        1.0572679793        2.3194764748
H            -1.7618306608       -0.3226153442        1.7406981526
O             1.3558436426       -0.6354697333        0.9995922173
H             0.6213253898       -0.1254556834        1.3688868820
H             1.6510044645       -0.1046474830        0.2458600380
O            -1.0523122234       -0.1916909978       -1.5078734015
H            -0.8839394420       -1.0952126291       -1.2261026736
H            -1.4372956424        0.2145442123       -0.6997108953
    18
 Energy=    -44.5342805480967
O             1.5188627817        0.8419050847       -1.3694824751
H             1.9950700101        0.9022613577       -2.1955578658
H             0.6160234050        0.5604918524       -1.5964046051
O            -0.1320944954       -2.5628863848       -0.0714167472
H             0.5225004874       -1.9440922113        0.3324077899
H             0.3468467656       -3.3581630889       -0.3001718938
O            -2.4441208733       -1.9459065020        1.2927980484
H            -2.8888005360       -2.6125326754        1.8053459206
H            -1.6974130709       -2.3864083272        0.8599817118
O            -1.2099498965        0.4603168150        1.6182741194
H            -1.4533423514        1.0601909783        2.3085683100
H            -1.7610473375       -0.3228758941        1.7379172453
O             1.3554000819       -0.6350077488        0.9994656986
H             0.6209465059       -0.1262307876        1.3667629195
H             1.6522072892       -0.1061333644        0.2460820947
O            -1.0594338036       -0.1889356851       -1.4988058661
H            -0.8826731942       -1.0919717488       -1.2269158284
H            -1.4277517132        0.2212521558       -0.6957803983
    18
 Energy=    -44.7587559322417
O             1.5371398668        0.8340100576       -1.3712478399
H             2.0080019101        0.8999643243       -2.1999858007
H             0.6296232785        0.5644990166       -1.5949659666
O            -0.1425768964       -2.5644919436       -0.0755539990
H             0.5158388862       -1.9503068382        0.3264833606
H             0.3353681933       -3.3555888537       -0.3210347764
O            -2.4463609643       -1.9806221431        1.3269204984
H            -2.8645870442       -2.6542496365        1.8551768595
H            -1.7020740516       -2.4073245694        0.8749468187
O            -1.2409710072        0.4510457778        1.5550958973
H            -1.4789534967        1.0828462425        2.2235136127
H            -1.7791775415       -0.3363512691        1.7196567748
O             1.3550604271       -0.6385581752        0.9994539756
H             0.6135506872       -0.1277022800        1.3494295507
H             1.6627934587       -0.1157938569        0.2459713088
O            -1.0685232306       -0.1476227716       -1.4600844126
H            -0.8963421242       -1.0610012880       -1.2131961713
H            -1.3665802957        0.2725220295       -0.6275115146
    18
 Energy=    -44.9558051096200
O             1.5480357200        0.8293955425       -1.3720250481
H             2.0160714093        0.8986698502       -2.2031121243
H             0.6371142945        0.5666514783       -1.5943631389
O            -0.1493723708       -2.5655455850       -0.0783868448
H             0.5125638556       -1.9533188280        0.3237476390
H             0.3283049817       -3.3545522709       -0.3340046564
O            -2.4490300393       -2.0003025353        1.3460827703
H            -2.8506336088       -2.6812072650        1.8877227738
H            -1.7031554943       -2.4198202726        0.8834210273
O            -1.2575902444        0.4481880120        1.5168888597
H            -1.4936066901        1.1010040422        2.1729699005
H            -1.7924698537       -0.3503753462        1.7080311636
O             1.3552096995       -0.6421681725        0.9999571367
H             0.6078309103       -0.1284733480        1.3397174660
H             1.6700870912       -0.1210619398        0.2444727334
O            -1.0775342656       -0.1184075029       -1.4297589525
H            -0.9028319758       -1.0409158535       -1.2046589686
H            -1.3277633648        0.2975138196       -0.5936335592
    18
 Energy=    -45.0151500635220
O             1.5468830781        0.8296276346       -1.3725052363
H             2.0154886218        0.8987600353       -2.2027601469
H             0.6364575773        0.5664297626       -1.5944069179
O            -0.1482158495       -2.5654526161       -0.0783323606
H             0.5126600033       -1.9533466780        0.3241322367
H             0.3281907403       -3.3542805831       -0.3331036163
O            -2.4490370253       -2.0001675612        1.3453272175
H            -2.8509119195       -2.6785622981        1.8853289608
H            -1.7032879374       -2.4187436239        0.8833021780
O            -1.2569735655        0.4446618759        1.5198942903
H            -1.4936935904        1.1013642826        2.1775383834
H            -1.7900911998       -0.3469120123        1.7061849167
O             1.3547797246       -0.6415619090        0.9994632616
H             0.6086018363       -0.1290120679        1.3405417245
H             1.6695245052       -0.1210354014        0.2448304236
O            -1.0741185576       -0.1179349904       -1.4328742004
H            -0.9033335027       -1.0412191847       -1.2037685780
H            -1.3316928833        0.2926591599       -0.5957243600
    18
 Energy=    -45.0510668237976
O             1.5492815453        0.8283989651       -1.3731296803
H             2.0175044480        0.8984299981       -2.2035217974
H             0.6380435967        0.5668482490       -1.5942606004
O            -0.1496467527       -2.5652310463       -0.0791125346
H             0.5118075017       -1.9544377389        0.3236249133
H             0.3260659037       -3.3540222566       -0.3363943679
O            -2.4491821424       -2.0057222531        1.3505990894
H            -2.8469375631       -2.6848258736        1.8933126906
H            -1.7041040020       -2.4219064580        0.8860994399
O            -1.2606672182        0.4447715446        1.5127516952
H            -1.4983100291        1.1036451358        2.1634127989
H            -1.7933022549       -0.3487537888        1.7007692776
O             1.3544963937       -0.6422728788        0.9991046681
H             0.6076343261       -0.1297059584        1.3383256078
H             1.6711086655       -0.1225936547        0.2447609039
O            -1.0708513410       -0.1095722471       -1.4272305321
H            -0.9070528602       -1.0340740339       -1.2003949566
H            -1.3246581625        0.2962981197       -0.5856484377
    18
 Energy=    -45.1006624610230
O             1.5539520128        0.8259337897       -1.3744880501
H             2.0215121953        0.8977754595       -2.2051134315
H             0.6410588031        0.5676528203       -1.5939797302
O            -0.1526007655       -2.5649756848       -0.0808336109
H             0.5104099989       -1.9565225451        0.3228456919
H             0.3215154686       -3.3533082172       -0.3429729213
O            -2.4498789137       -2.0167483221        1.3612007492
H            -2.8385725652       -2.6971982037        1.9094563486
H            -1.7054703801       -2.4284051363        0.8918024129
O            -1.2674021110        0.4422803811        1.4974988414
H            -1.5086571602        1.1099273407        2.1367687035
H            -1.7993002398       -0.3512164948        1.6890852531
O             1.3538941541       -0.6439891928        0.9983854273
H             0.6057130600       -0.1311929939        1.3340692704
H             1.6742466110       -0.1256529133        0.2444777754
O            -1.0635519129       -0.0920297754       -1.4149430086
H            -0.9145059388       -1.0190727751       -1.1937072417
H            -1.3111322617        0.3020162862       -0.5664843022
    18
 Energy=    -45.1443289675879
O             1.5584244200        0.8234924033       -1.3763081817
H             2.0248814473        0.8970449600       -2.2069858231
H             0.6440733078        0.5686274862       -1.5931631762
O            -0.1561795511       -2.5641651348       -0.0819521371
H             0.5096382550       -1.9592149735        0.3219018840
H             0.3159804358       -3.3518496316       -0.3493100983
O            -2.4497107922       -2.0267926167        1.3711818106
H            -2.8280246374       -2.7078621559        1.9249459102
H            -1.7076059091       -2.4356849352        0.8991062867
O            -1.2686314183        0.4392299687        1.4839763857
H            -1.5237808263        1.1118169164        2.1104746334
H            -1.8066149660       -0.3486825727        1.6768677802
O             1.3534426221       -0.6465329060        0.9974718376
H             0.6052683066       -0.1331203021        1.3302648468
H             1.6757066175       -0.1287076618        0.2446201136
O            -1.0514994095       -0.0724840446       -1.4000259273
H            -0.9209901008       -1.0078675186       -1.1912250832
H            -1.3031477465        0.3080265419       -0.5487728846
    18
 Energy=    -45.1543339215378
O             1.5617696705        0.8221933582       -1.3769277636
H             2.0269047129        0.8966029027       -2.2087967763
H             0.6454366500        0.5692313059       -1.5923189259
O            -0.1588077401       -2.5639004796       -0.0825081853
H             0.5094143864       -1.9606513283        0.3212822529
H             0.3121241984       -3.3507424991       -0.3531696551
O            -2.4504726265       -2.0309933610        1.3774531216
H            -2.8212445868       -2.7142606417        1.9349674611
H            -1.7073657912       -2.4410572782        0.9029776138
O            -1.2675845909        0.4358730611        1.4759803898
H            -1.5351928155        1.1135251072        2.0957361650
H            -1.8112938696       -0.3463056722        1.6690531449
O             1.3537647008       -0.6491016849        0.9973039272
H             0.6050207079       -0.1341875389        1.3285812701
H             1.6762758769       -0.1302466043        0.2440723686
O            -1.0432459672       -0.0644653332       -1.3892406446
H            -0.9250694666       -0.9976448208       -1.1923000868
H            -1.2992033934        0.3114053313       -0.5390775004
    18
 Energy=    -45.1856066991072
O             1.5608057776        0.8237213816       -1.3765687541
H             2.0240569762        0.8967529240       -2.2092550359
H             0.6451028402        0.5698052224       -1.5896910101
O            -0.1584205155       -2.5641392961       -0.0803830781
H             0.5094475588       -1.9589228649        0.3209040415
H             0.3125103513       -3.3512843065       -0.3504666778
O            -2.4488087708       -2.0255273770        1.3708430212
H            -2.8234909850       -2.7049886409        1.9291920232
H            -1.7054199436       -2.4365319468        0.9007241684
O            -1.2622013470        0.4365790639        1.4900749756
H            -1.5358264280        1.1121696514        2.1097565161
H            -1.8084111134       -0.3465633380        1.6723693709
O             1.3554290760       -0.6485048991        0.9976271280
H             0.6080107638       -0.1353057091        1.3331757094
H             1.6734354951       -0.1296497207        0.2433281919
O            -1.0472085386       -0.0707360841       -1.3985301006
H            -0.9192744514       -1.0080095814       -1.2001309099
H            -1.3085066899        0.3064093444       -0.5499014012
    18
 Energy=    -45.2246730417386
O             1.5699347924        0.8230373827       -1.3768091149
H             2.0236794582        0.8954549874       -2.2160784726
H             0.6511293276        0.5746878214       -1.5798118024
O            -0.1648512258       -2.5646447012       -0.0781996596
H             0.5065623136       -1.9588504861        0.3177093529
H             0.3018017161       -3.3497711529       -0.3563763274
O            -2.4465826162       -2.0300063495        1.3738430314
H            -2.8091844663       -2.7017395655        1.9489945647
H            -1.6999005464       -2.4387306746        0.9064582084
O            -1.2581262881        0.4333027305        1.5003493126
H            -1.5672961287        1.1185051545        2.0942187920
H            -1.8131742960       -0.3507868964        1.6581727702
O             1.3594551776       -0.6534545977        0.9969526397
H             0.6149529937       -0.1422960415        1.3401558607
H             1.6712845295       -0.1338051638        0.2393813402
O            -1.0425554262       -0.0596165615       -1.3969351305
H            -0.9168981305       -1.0009730868       -1.2160490435
H            -1.3090011302        0.3049610244       -0.5429081444
    18
 Energy=    -45.2366390553630
O             1.5784981301        0.8221498334       -1.3780846351
H             2.0238127050        0.8942386532       -2.2193682224
H             0.6549890093        0.5782196378       -1.5741097720
O            -0.1702740172       -2.5626054234       -0.0773231439
H             0.5040399018       -1.9601187628        0.3155724661
H             0.2950542712       -3.3501176045       -0.3621771840
O            -2.4460684925       -2.0349879838        1.3782820500
H            -2.7978306782       -2.7030626749        1.9660665783
H            -1.6964833372       -2.4422030546        0.9114281305
O            -1.2595178873        0.4310790334        1.5017603494
H            -1.5892790189        1.1227192423        2.0770451987
H            -1.8167752069       -0.3536847640        1.6474773056
O             1.3622649912       -0.6575783055        0.9945324930
H             0.6184624686       -0.1462752613        1.3440199892
H             1.6710185764       -0.1374925061        0.2379684378
O            -1.0386187116       -0.0491179210       -1.3925515233
H            -0.9172034611       -0.9916426279       -1.2234919191
H            -1.3048591864        0.3057543135       -0.5339784222
    18
 Energy=    -45.2511430305833
O             1.5784550275        0.8213729324       -1.3777664318
H             2.0250558267        0.8941406733       -2.2195679719
H             0.6557426133        0.5784817405       -1.5749589202
O            -0.1703397034       -2.5631316589       -0.0787289527
H             0.5040341979       -1.9607430236        0.3158047107
H             0.2946075504       -3.3493758424       -0.3629642068
O            -2.4467059493       -2.0373704674        1.3805424915
H            -2.7966231969       -2.7060368047        1.9683829642
H            -1.6973927217       -2.4436524261        0.9124237402
O            -1.2628032184        0.4312736732        1.4962278851
H            -1.5889478398        1.1227866551        2.0714847129
H            -1.8174354735       -0.3539907164        1.6471880188
O             1.3610774665       -0.6579147217        0.9944450166
H             0.6180126131       -0.1460150393        1.3423762299
H             1.6724104673       -0.1375816023        0.2382441811
O            -1.0386053248       -0.0467034916       -1.3895370130
H            -0.9187498480       -0.9885150996       -1.2204620407
H            -1.3005624309        0.3082490432       -0.5300662374
    18
 Energy=    -45.2969172058699
O             1.5941244204        0.8170827733       -1.3776992670
H             2.0283109258        0.8908300790       -2.2265231336
H             0.6656570985        0.5905508198       -1.5654735758
O            -0.1806351600       -2.5609532693       -0.0854865869
H             0.4983655324       -1.9655342181        0.3127967384
H             0.2792251061       -3.3468842029       -0.3738663644
O            -2.4476090405       -2.0498906347        1.3902162933
H            -2.7664656936       -2.7072952474        2.0071175383
H            -1.6946870104       -2.4520524746        0.9250991639
O            -1.2762071324        0.4292375795        1.4834611452
H            -1.6370525643        1.1249897700        2.0301179511
H            -1.8229144615       -0.3614535544        1.6376201464
O             1.3602950828       -0.6707629871        0.9879774868
H             0.6306709306       -0.1525628310        1.3498588615
H             1.6772129053       -0.1432760473        0.2375138663
O            -1.0350915970       -0.0237014668       -1.3807258120
H            -0.9190113602       -0.9667207964       -1.2283430420
H            -1.2829579286        0.3136705312       -0.5105932323
    18
 Energy=    -45.3191345375800
O             1.6009658855        0.8157677933       -1.3769696237
H             2.0287006589        0.8888604573       -2.2295089124
H             0.6695262164        0.5990783798       -1.5592327149
O            -0.1856457273       -2.5589468710       -0.0896469860
H             0.4943643223       -1.9670085641        0.3106013942
H             0.2718538453       -3.3473082310       -0.3773125896
O            -2.4475016051       -2.0502949414        1.3898271059
H            -2.7505395258       -2.6982786021        2.0243267121
H            -1.6922190244       -2.4524705031        0.9283389534
O            -1.2825440547        0.4289433492        1.4861810894
H            -1.6643542836        1.1232017003        2.0203454186
H            -1.8216051417       -0.3668881948        1.6399546435
O             1.3614054735       -0.6785684496        0.9835703710
H             0.6410041845       -0.1551766192        1.3590727629
H             1.6787623797       -0.1460757898        0.2380543108
O            -1.0364330145       -0.0185671692       -1.3855619483
H            -0.9142130275       -0.9624382894       -1.2374356296
H            -1.2802975059        0.3114443690       -0.5115361805
    18
 Energy=    -45.3305808778832
O             1.6045853659        0.8147333202       -1.3765970488
H             2.0308399833        0.8875577627       -2.2304307893
H             0.6712809544        0.6038127944       -1.5568161011
O            -0.1895466659       -2.5584629056       -0.0927346683
H             0.4914249435       -1.9675347181        0.3078392644
H             0.2673623135       -3.3484448136       -0.3808842485
O            -2.4468757905       -2.0522052305        1.3932687102
H            -2.7396041010       -2.6959110204        2.0381786190
H            -1.6923950273       -2.4534983885        0.9288457034
O            -1.2880361749        0.4271108005        1.4838386685
H            -1.6813464809        1.1242818189        2.0090913530
H            -1.8221586560       -0.3714965595        1.6403569994
O             1.3622594664       -0.6813775226        0.9832452988
H             0.6467411018       -0.1564538041        1.3621632503
H             1.6804973183       -0.1492657408        0.2385504966
O            -1.0350871258       -0.0126936252       -1.3850081844
H            -0.9131352666       -0.9585571782       -1.2415230145
H            -1.2755761051        0.3136788334       -0.5083161307
    18
 Energy=    -45.3457838063712
O             1.6012594568        0.8156854617       -1.3759473084
H             2.0315745355        0.8869943094       -2.2267317828
H             0.6678611605        0.6060759561       -1.5587732793
O            -0.1891565189       -2.5589188476       -0.0961237106
H             0.4896553637       -1.9662023659        0.3054827654
H             0.2687990933       -3.3510201728       -0.3787602618
O            -2.4455423327       -2.0461363639        1.3910250510
H            -2.7378513818       -2.6868706312        2.0369400649
H            -1.6949179311       -2.4489996375        0.9220805487
O            -1.2907649207        0.4273580287        1.4886722300
H            -1.6820135823        1.1206484586        2.0185604316
H            -1.8178223375       -0.3747399809        1.6511517799
O             1.3634090423       -0.6808642478        0.9852819872
H             0.6507039138       -0.1537604388        1.3654690236
H             1.6813895574       -0.1501160145        0.2402406032
O            -1.0354044816       -0.0195624799       -1.3928540828
H            -0.9099497656       -0.9650806108       -1.2433498444
H            -1.2799988156        0.3107833996       -0.5192960394
    18
 Energy=    -45.3685103154901
O             1.5997442220        0.8159838560       -1.3750862525
H             2.0353890387        0.8857830802       -2.2232367817
H             0.6664135448        0.6075957729       -1.5617824373
O            -0.1912644376       -2.5604475230       -0.1003798151
H             0.4863108221       -1.9665042185        0.2999366207
H             0.2665369478       -3.3523066984       -0.3809021237
O            -2.4431852405       -2.0454275968        1.3976970167
H            -2.7281877681       -2.6864631873        2.0480580097
H            -1.7003047655       -2.4486008250        0.9170996533
O            -1.2948197140        0.4247810904        1.4866757906
H            -1.6915720707        1.1211599351        2.0097756622
H            -1.8188810220       -0.3791391786        1.6520106869
O             1.3665789187       -0.6809685627        0.9900268733
H             0.6521872120       -0.1509494768        1.3657454495
H             1.6835659633       -0.1539776204        0.2405376344
O            -1.0268581179       -0.0161336829       -1.3903832982
H            -0.9119565529       -0.9626019567       -1.2447264172
H            -1.2784669261        0.3134906169       -0.5179980927
    18
 Energy=    -45.3737182878845
O             1.6011415408        0.8158175720       -1.3743588619
H             2.0373138542        0.8848082254       -2.2225781719
H             0.6676623380        0.6092917153       -1.5619916603
O            -0.1939484239       -2.5603711951       -0.1031207512
H             0.4843443345       -1.9676063405        0.2972922165
H             0.2637504010       -3.3524274023       -0.3832592540
O            -2.4426448995       -2.0469474742        1.4023331752
H            -2.7194201901       -2.6866389272        2.0574357190
H            -1.7024772509       -2.4497024436        0.9170536278
O            -1.2979122023        0.4238665432        1.4846766221
H            -1.7016656120        1.1213585281        2.0003712063
H            -1.8202820477       -0.3816274773        1.6502154380
O             1.3675013243       -0.6824277577        0.9908859879
H             0.6543855663       -0.1508071776        1.3665939942
H             1.6848896694       -0.1564647265        0.2407310168
O            -1.0229239688       -0.0116041919       -1.3878970195
H            -0.9127777932       -0.9584860709       -1.2465908281
H            -1.2757065864        0.3152424255       -0.5147242798
    18
 Energy=    -45.3790784365289
O             1.6039201541        0.8159336791       -1.3733283980
H             2.0393733559        0.8835352051       -2.2219830115
H             0.6699872627        0.6114123686       -1.5612737774
O            -0.1975435305       -2.5601152941       -0.1067867210
H             0.4818400524       -1.9689959767        0.2945140600
H             0.2597280837       -3.3522267144       -0.3861617737
O            -2.4422864583       -2.0487431614        1.4072721413
H            -2.7075176303       -2.6861318535        2.0695353054
H            -1.7046224193       -2.4507971299        0.9178186276
O            -1.3015868493        0.4229786546        1.4835099863
H            -1.7155432368        1.1215130301        1.9892706228
H            -1.8216694996       -0.3845554354        1.6477339758
O             1.3682870343       -0.6848249340        0.9908355877
H             0.6577661585       -0.1511996231        1.3684633728
H             1.6862393687       -0.1594307216        0.2410511466
O            -1.0201521551       -0.0061383827       -1.3861082207
H            -0.9126238616       -0.9537714348       -1.2501016491
H            -1.2723657747        0.3168315472       -0.5111930973
    18
 Energy=    -45.3825563493466
O             1.6089581579        0.8165878282       -1.3710595473
H             2.0441672080        0.8810389859       -2.2202141425
H             0.6750464722        0.6151604479       -1.5595149253
O            -0.2040754451       -2.5584440547       -0.1142137473
H             0.4757876224       -1.9719100204        0.2888412123
H             0.2519676780       -3.3526336863       -0.3921100999
O            -2.4418761720       -2.0523334984        1.4171173126
H            -2.6829920201       -2.6845538074        2.0938343280
H            -1.7091337981       -2.4521156007        0.9186495502
O            -1.3089130244        0.4211777511        1.4818167241
H            -1.7429465376        1.1216533607        1.9682589229
H            -1.8239033935       -0.3901001424        1.6434723530
O             1.3691553515       -0.6909666279        0.9915882949
H             0.6642088177       -0.1515152286        1.3724053013
H             1.6894464272       -0.1642444523        0.2406326060
O            -1.0165097619        0.0040931637       -1.3839817157
H            -0.9114734696       -0.9453938192       -1.2573400634
H            -1.2656840581        0.3197732243       -0.5051141864
    18
 Energy=    -45.3901668249782
O             1.6094228800        0.8175149798       -1.3704417556
H             2.0448219507        0.8809079249       -2.2191193102
H             0.6756828809        0.6139765078       -1.5596077972
O            -0.2045618231       -2.5586505806       -0.1156721255
H             0.4755864946       -1.9719196954        0.2890457184
H             0.2514767356       -3.3521634171       -0.3922013013
O            -2.4422787093       -2.0525878103        1.4180680687
H            -2.6803132326       -2.6846843646        2.0948941538
H            -1.7101348447       -2.4515818919        0.9186311426
O            -1.3085540678        0.4215997509        1.4826183436
H            -1.7435837176        1.1212068026        1.9679387405
H            -1.8240049907       -0.3896390249        1.6426418983
O             1.3686854971       -0.6906797641        0.9906210113
H             0.6641387657       -0.1514902896        1.3722698402
H             1.6891585040       -0.1647557599        0.2413925740
O            -1.0179083455        0.0040481080       -1.3846244947
H            -0.9108063239       -0.9453706831       -1.2580150235
H            -1.2655975984        0.3195430311       -0.5053715055
    18
 Energy=    -45.3944304213983
O             1.6103062606        0.8185714342       -1.3695413463
H             2.0461967046        0.8805209905       -2.2178829531
H             0.6768458287        0.6134529029       -1.5589522925
O            -0.2056802043       -2.5582803958       -0.1178453898
H             0.4743288997       -1.9719637356        0.2885934354
H             0.2500811932       -3.3522949139       -0.3930146999
O            -2.4426038008       -2.0528213676        1.4194113275
H            -2.6748250425       -2.6837603398        2.0990460755
H            -1.7112179361       -2.4506070754        0.9181811439
O            -1.3087454922        0.4217210313        1.4842492379
H            -1.7478902992        1.1208686667        1.9664667761
H            -1.8239535249       -0.3899897375        1.6419235650
O             1.3681425899       -0.6913832034        0.9898972077
H             0.6652708989       -0.1516740325        1.3731163309
H             1.6892277818       -0.1655568545        0.2418353259
O            -1.0195383388        0.0045229631       -1.3862175386
H            -0.9094440404       -0.9449648317       -1.2600844529
H            -1.2652714228        0.3189123213       -0.5061135763
    18
 Energy=    -45.4118606954313
O             1.6082480704        0.8247073925       -1.3627008870
H             2.0589077940        0.8795009168       -2.2042003767
H             0.6798923793        0.6048905733       -1.5613569745
O            -0.2083610621       -2.5559351950       -0.1301164005
H             0.4669025986       -1.9709134103        0.2856483122
H             0.2468166274       -3.3540202025       -0.3968394438
O            -2.4453435905       -2.0553688496        1.4290081714
H            -2.6476907706       -2.6865199626        2.1182924499
H            -1.7219739379       -2.4429690519        0.9085553361
O            -1.3065412513        0.4221685761        1.4864926024
H            -1.7531638804        1.1201047645        1.9628071671
H            -1.8243611388       -0.3880919149        1.6403883826
O             1.3621916203       -0.6922516417        0.9898411719
H             0.6616244388       -0.1480650503        1.3704438279
H             1.6902653946       -0.1668221300        0.2440554966
O            -1.0266572958        0.0024146961       -1.3932304731
H            -0.9068465607       -0.9455832681       -1.2628483451
H            -1.2626793794        0.3180275812       -0.5111718408
    18
 Energy=    -45.4154519686970
O             1.6071509279        0.8242796351       -1.3622974051
H             2.0591921122        0.8797789856       -2.2029946998
H             0.6794184103        0.6043822583       -1.5622307885
O            -0.2078981070       -2.5558703062       -0.1294634615
H             0.4672973194       -1.9705540279        0.2857944335
H             0.2476286641       -3.3537093026       -0.3964424529
O            -2.4456511795       -2.0553476848        1.4283246680
H            -2.6487813827       -2.6877288579        2.1166361398
H            -1.7221240027       -2.4427436806        0.9076629975
O            -1.3054096359        0.4222296593        1.4856742826
H            -1.7489178188        1.1207315987        1.9648352551
H            -1.8242246138       -0.3872784683        1.6410744525
O             1.3613679385       -0.6915094824        0.9899976678
H             0.6595970261       -0.1476852039        1.3692832570
H             1.6898344016       -0.1658837778        0.2441015889
O            -1.0262943843        0.0008355966       -1.3933423180
H            -0.9078455901       -0.9467493976       -1.2615572829
H            -1.2631100316        0.3180962805       -0.5119881568
    18
 Energy=    -45.4257223825725
O             1.6037792141        0.8228698229       -1.3584576592
H             2.0614383447        0.8805917049       -2.1959252238
H             0.6780515937        0.6026686561       -1.5656727399
O            -0.2075951935       -2.5549684028       -0.1282380212
H             0.4678392508       -1.9688328838        0.2854907556
H             0.2494822798       -3.3518337512       -0.3953092905
O            -2.4471424013       -2.0549916353        1.4254896162
H            -2.6468848293       -2.6909525308        2.1130667974
H            -1.7235678500       -2.4406345155        0.9032562006
O            -1.3013024589        0.4229908327        1.4845996763
H            -1.7332502060        1.1234766876        1.9738903532
H            -1.8226093966       -0.3844942595        1.6445029556
O             1.3568482301       -0.6889785578        0.9897081157
H             0.6514296265       -0.1465999174        1.3655964942
H             1.6871308286       -0.1621483722        0.2448747631
O            -1.0258990404       -0.0067078079       -1.3966653043
H            -0.9108716661       -0.9533135256       -1.2588602604
H            -1.2656462707        0.3171322807       -0.5182790486
    18
 Energy=    -45.4345768688896
O             1.6045404135        0.8222499421       -1.3509064939
H             2.0677730960        0.8802751435       -2.1855655305
H             0.6795545773        0.6022022103       -1.5673026009
O            -0.2118314763       -2.5524799885       -0.1313744775
H             0.4644967366       -1.9672279302        0.2823808025
H             0.2455842980       -3.3491893976       -0.3979043372
O            -2.4485188018       -2.0578156567        1.4275324074
H            -2.6265334027       -2.6916740964        2.1229797920
H            -1.7274644473       -2.4376452625        0.8991026037
O            -1.3001454741        0.4241909634        1.4848468872
H            -1.7296868373        1.1265078469        1.9749393474
H            -1.8211705932       -0.3835703625        1.6455901154
O             1.3507161132       -0.6894258035        0.9881420494
H             0.6448628438       -0.1471416404        1.3642560845
H             1.6834826757       -0.1603480531        0.2462639122
O            -1.0256529293       -0.0110716180       -1.4023123929
H            -0.9124644774       -0.9581160615       -1.2624023785
H            -1.2663122591        0.3155535880       -0.5251976130
    18
 Energy=    -45.4408749720459
O             1.6060444448        0.8215977057       -1.3468160888
H             2.0730146155        0.8795606120       -2.1777923986
H             0.6833024516        0.6035583345       -1.5661212443
O            -0.2166912930       -2.5505551039       -0.1349116515
H             0.4607912197       -1.9659332519        0.2792605626
H             0.2399453782       -3.3473713727       -0.4016537246
O            -2.4493528542       -2.0603679429        1.4314925897
H            -2.6062792466       -2.6910652517        2.1360307999
H            -1.7293877328       -2.4365866164        0.8968317962
O            -1.3016412635        0.4251095946        1.4850580050
H            -1.7341949901        1.1277907697        1.9705170606
H            -1.8206802879       -0.3836930437        1.6447554081
O             1.3466580150       -0.6909923456        0.9869329482
H             0.6422856792       -0.1489970663        1.3647861487
H             1.6805689703       -0.1606709098        0.2473367795
O            -1.0242891985       -0.0111578462       -1.4060597693
H            -0.9130097246       -0.9592572504       -1.2676597808
H            -1.2658541292        0.3143048090       -0.5289192618
    18
 Energy=    -45.4459186661427
O             1.6066083041        0.8211042740       -1.3466267699
H             2.0731838263        0.8798297319       -2.1778622769
H             0.6833715515        0.6041402959       -1.5649142796
O            -0.2169628936       -2.5502676016       -0.1337561524
H             0.4607327041       -1.9650245850        0.2793990303
H             0.2389446764       -3.3469724236       -0.4021396021
O            -2.4487136304       -2.0613389499        1.4312192228
H            -2.6055220234       -2.6898541633        2.1351463525
H            -1.7282291452       -2.4367510826        0.8976287176
O            -1.3013306679        0.4255926821        1.4852157826
H            -1.7329278480        1.1277061758        1.9716316461
H            -1.8205791826       -0.3829613351        1.6445805588
O             1.3462252822       -0.6911212938        0.9868267179
H             0.6413493409       -0.1502955122        1.3651210537
H             1.6789454508       -0.1602608334        0.2471608982
O            -1.0236758332       -0.0116293400       -1.4067011087
H            -0.9131495518       -0.9600231469       -1.2687863592
H            -1.2670403047        0.3134009315       -0.5300752539
    18
 Energy=    -45.4583765762455
O             1.6163335239        0.8203048244       -1.3395669282
H             2.0856854964        0.8775984126       -2.1703720681
H             0.6905089560        0.6096818630       -1.5589012849
O            -0.2286235320       -2.5467300020       -0.1424585566
H             0.4505711691       -1.9638465920        0.2716714044
H             0.2226099090       -3.3449994587       -0.4143920631
O            -2.4467718486       -2.0727549040        1.4466145916
H            -2.5597675815       -2.6869131734        2.1720449558
H            -1.7316459738       -2.4384983448        0.8992076989
O            -1.3110854798        0.4255983115        1.4778801746
H            -1.7612761319        1.1285727889        1.9444766203
H            -1.8240587825       -0.3865169681        1.6387712747
O             1.3421319096       -0.6987305327        0.9861779366
H             0.6417256825       -0.1558475434        1.3690382561
H             1.6756550185       -0.1655099177        0.2480221307
O            -1.0175737708       -0.0002325783       -1.4073408283
H            -0.9139112530       -0.9511018933       -1.2811358460
H            -1.2592772558        0.3151995314       -0.5266692921
    18
 Energy=    -45.4735529827834
O             1.6238988487        0.8209780023       -1.3312468979
H             2.0982581657        0.8768975544       -2.1594246801
H             0.6989611165        0.6127961072       -1.5537101080
O            -0.2413774914       -2.5427682973       -0.1485450063
H             0.4402127629       -1.9616249251        0.2634191145
H             0.2071134510       -3.3401294873       -0.4271326449
O            -2.4391066927       -2.0813008567        1.4624493842
H            -2.5144925230       -2.6831259670        2.2023040367
H            -1.7305778318       -2.4422908873        0.9023036763
O            -1.3202651933        0.4236428992        1.4632043956
H            -1.7698950584        1.1295314895        1.9257550728
H            -1.8313851067       -0.3875025027        1.6356420922
O             1.3351647828       -0.7033306488        0.9903202503
H             0.6305853289       -0.1639676464        1.3708693060
H             1.6660890303       -0.1709866571        0.2495053639
O            -1.0101330963        0.0066755565       -1.4117414128
H            -0.9151660337       -0.9448615076       -1.2907808451
H            -1.2566544059        0.3166415982       -0.5301229198
    18
 Energy=    -45.4794752340096
O             1.6263565718        0.8227472122       -1.3258217960
H             2.1043823896        0.8766891136       -2.1519614297
H             0.7031909968        0.6124058209       -1.5528299571
O            -0.2474776138       -2.5405589023       -0.1530233462
H             0.4351821653       -1.9608199049        0.2601098277
H             0.2012695925       -3.3377327402       -0.4325190223
O            -2.4347568335       -2.0834933775        1.4693957019
H            -2.4924823420       -2.6809763586        2.2155242269
H            -1.7307146569       -2.4422741919        0.9027506300
O            -1.3239995035        0.4223392971        1.4569684259
H            -1.7687997521        1.1302334511        1.9214215512
H            -1.8347914023       -0.3879734272        1.6355052509
O             1.3301886911       -0.7053073579        0.9924473878
H             0.6233082376       -0.1668839924        1.3709064633
H             1.6610402896       -0.1730114522        0.2514773162
O            -1.0095335510        0.0070816889       -1.4168765534
H            -0.9145083292       -0.9439929727       -1.2948951121
H            -1.2566248946        0.3168019177       -0.5355113885
    18
 Energy=    -45.4887316723180
O             1.6270301498        0.8269070039       -1.3198254163
H             2.1095318617        0.8770423135       -2.1436092386
H             0.7068635415        0.6092438175       -1.5538088265
O            -0.2514879334       -2.5383922916       -0.1588719202
H             0.4298237462       -1.9612022334        0.2586182546
H             0.1978700727       -3.3352367323       -0.4371554351
O            -2.4271852687       -2.0819028143        1.4773177457
H            -2.4748259718       -2.6782174656        2.2247088608
H            -1.7290712526       -2.4407312492        0.9034003721
O            -1.3270741847        0.4195100318        1.4506109866
H            -1.7583263031        1.1305711897        1.9238275671
H            -1.8397311348       -0.3881096704        1.6355153554
O             1.3229847618       -0.7068101874        0.9958492741
H             0.6129136353       -0.1694018960        1.3692431703
H             1.6549689188       -0.1748992525        0.2561532195
O            -1.0113336950        0.0053748307       -1.4254163140
H            -0.9121337326       -0.9452323573       -1.2981820491
H            -1.2595871553        0.3167607869       -0.5453074273
    18
 Energy=    -45.4996569959881
O             1.6281384641        0.8271334314       -1.3198684993
H             2.1091484333        0.8769301200       -2.1444342981
H             0.7071213538        0.6111753825       -1.5525729845
O            -0.2514829986       -2.5379946273       -0.1626080224
H             0.4285788544       -1.9631814529        0.2613216880
H             0.1967400131       -3.3359652992       -0.4398728644
O            -2.4229996632       -2.0806959148        1.4817898480
H            -2.4732613522       -2.6762822131        2.2301230485
H            -1.7251378399       -2.4393856756        0.9074042603
O            -1.3290316322        0.4189248688        1.4508251352
H            -1.7604373718        1.1297673223        1.9230726344
H            -1.8418915638       -0.3897897721        1.6313629220
O             1.3192440257       -0.7112256688        0.9946565834
H             0.6127078330       -0.1710335197        1.3702356275
H             1.6558946841       -0.1751787641        0.2601269026
O            -1.0105741906        0.0080963337       -1.4277865587
H            -0.9102786735       -0.9436119011       -1.3031605600
H            -1.2612483191        0.3175911732       -0.5475466864
    18
 Energy=    -45.5050144885720
O             1.6293965744        0.8275532264       -1.3162025530
H             2.1130568902        0.8774021057       -2.1395394690
H             0.7084891129        0.6130425188       -1.5511236994
O            -0.2560549637       -2.5370305396       -0.1678434044
H             0.4254060046       -1.9635803065        0.2616396757
H             0.1929050145       -3.3349478185       -0.4463617765
O            -2.4149870497       -2.0806403548        1.4907885242
H            -2.4597550167       -2.6737939117        2.2410642772
H            -1.7195560798       -2.4384904593        0.9127107861
O            -1.3319235876        0.4175264545        1.4446835147
H            -1.7552294535        1.1292923853        1.9230594018
H            -1.8462843345       -0.3894605015        1.6273400284
O             1.3113045691       -0.7152620840        0.9964553535
H             0.6027020556       -0.1755240376        1.3706373990
H             1.6529775276       -0.1765460278        0.2651636207
O            -1.0068263282        0.0094931553       -1.4338864491
H            -0.9092488884       -0.9425677187       -1.3100480439
H            -1.2651419913        0.3188077380       -0.5554690076
    18
 Energy=    -45.5132732921071
O             1.6313248009        0.8266666592       -1.3130099931
H             2.1169570116        0.8777261815       -2.1349032223
H             0.7101155537        0.6160130370       -1.5494340111
O            -0.2586869500       -2.5360234667       -0.1707362197
H             0.4208691034       -1.9646058111        0.2589000932
H             0.1882483530       -3.3331011327       -0.4523890170
O            -2.4094094838       -2.0827363311        1.4987225936
H            -2.4460340775       -2.6724625684        2.2517835944
H            -1.7152134289       -2.4392310488        0.9182082235
O            -1.3362226883        0.4176151140        1.4356218808
H            -1.7522653163        1.1292230372        1.9203721973
H            -1.8492333665       -0.3896029129        1.6253650566
O             1.3050511709       -0.7175855374        0.9982264409
H             0.5940472357       -0.1801546026        1.3705038668
H             1.6502429511       -0.1787711176        0.2692930832
O            -1.0037519673        0.0113272479       -1.4378048881
H            -0.9089794170       -0.9402233413       -1.3148525555
H            -1.2658294285        0.3212004178       -0.5607989485
    18
 Energy=    -45.5162318535943
O             1.6322730277        0.8263553701       -1.3105882429
H             2.1195810673        0.8778011156       -2.1314654991
H             0.7111826288        0.6173840034       -1.5487724387
O            -0.2611460751       -2.5358736465       -0.1729123013
H             0.4185318028       -1.9648745041        0.2562515206
H             0.1857499237       -3.3323994681       -0.4558834191
O            -2.4069709066       -2.0841801839        1.5036412999
H            -2.4367195820       -2.6717858085        2.2585580310
H            -1.7137668457       -2.4394852898        0.9211430310
O            -1.3384857409        0.4181175348        1.4308512320
H            -1.7518792653        1.1290714244        1.9189325884
H            -1.8499896803       -0.3892542211        1.6243048357
O             1.3019864487       -0.7188021171        0.9999155615
H             0.5890415695       -0.1823541935        1.3701545194
H             1.6488088547       -0.1803561205        0.2714752151
O            -1.0022631613        0.0124056617       -1.4406458205
H            -0.9085075076       -0.9388673844       -1.3176230631
H            -1.2661965026        0.3223716505       -0.5642688729
    18
 Energy=    -45.5342181066740
O             1.6365260596        0.8240068195       -1.2968600536
H             2.1298149308        0.8788952208       -2.1139904986
H             0.7160090593        0.6232025207       -1.5446484244
O            -0.2706539661       -2.5386876321       -0.1880765409
H             0.4113253442       -1.9699925238        0.2401742894
H             0.1759639391       -3.3345501488       -0.4741767745
O            -2.3943885364       -2.0904820594        1.5324206411
H            -2.3974916219       -2.6677955768        2.2956154370
H            -1.7094947594       -2.4438375596        0.9396913456
O            -1.3489683921        0.4272418825        1.4148443573
H            -1.7614951914        1.1288562304        1.9171225601
H            -1.8456575903       -0.3868715828        1.6148473983
O             1.2867462628       -0.7275898266        1.0085869329
H             0.5682614029       -0.1888766679        1.3645283439
H             1.6472309614       -0.1901459423        0.2863651513
O            -0.9990784516        0.0209673028       -1.4608742146
H            -0.9018992344       -0.9301244810       -1.3350384730
H            -1.2715201597        0.3310578489       -0.5874632998
    18
 Energy=    -45.5361950136893
O             1.6382187124        0.8233659676       -1.2937850545
H             2.1323232189        0.8795482741       -2.1101930692
H             0.7181617809        0.6226539828       -1.5433327220
O            -0.2721709289       -2.5388857349       -0.1915182066
H             0.4107871598       -1.9714476003        0.2380481725
H             0.1734704596       -3.3353805214       -0.4780903034
O            -2.3918032431       -2.0930262314        1.5385580202
H            -2.3896740309       -2.6681628158        2.3041785597
H            -1.7108722140       -2.4475798243        0.9417859919
O            -1.3513483587        0.4294260062        1.4115235900
H            -1.7649892738        1.1302933187        1.9140636504
H            -1.8448719973       -0.3866002169        1.6132008202
O             1.2839144906       -0.7292591960        1.0089933067
H             0.5653278597       -0.1883802020        1.3620074362
H             1.6473121336       -0.1917678985        0.2883574357
O            -0.9993095950        0.0237286962       -1.4635550670
H            -0.9019805197       -0.9276195363       -1.3370222249
H            -1.2712655989        0.3343673556       -0.5901521578
    18
 Energy=    -45.5372148419134
O             1.6378105991        0.8226061084       -1.2947269822
H             2.1299661612        0.8804294122       -2.1121385814
H             0.7175054210        0.6213402946       -1.5428687402
O            -0.2696209427       -2.5395982169       -0.1899688345
H             0.4135919555       -1.9722559615        0.2397305259
H             0.1753465631       -3.3365142473       -0.4764274934
O            -2.3921481831       -2.0919604136        1.5356235957
H            -2.3981073956       -2.6685097589        2.2992345997
H            -1.7115328137       -2.4503737796        0.9414814368
O            -1.3495749245        0.4307554177        1.4145091197
H            -1.7647557626        1.1307127670        1.9170770332
H            -1.8429872887       -0.3855587558        1.6138573049
O             1.2852029951       -0.7283676483        1.0078166338
H             0.5676381186       -0.1863375323        1.3608161335
H             1.6485284771       -0.1908203774        0.2873081505
O            -0.9998667164        0.0231327901       -1.4629765361
H            -0.9027260638       -0.9281066606       -1.3350919071
H            -1.2730401444        0.3347003849       -0.5901872817
    18
 Energy=    -45.5384607801692
O             1.6390662630        0.8224214189       -1.2933127214
H             2.1319414370        0.8811903395       -2.1103831665
H             0.7189373704        0.6206928001       -1.5416641611
O            -0.2707855890       -2.5391141209       -0.1907648615
H             0.4120027122       -1.9724786794        0.2399433795
H             0.1733563969       -3.3358572511       -0.4785818053
O            -2.3897679176       -2.0928399436        1.5375793170
H            -2.3931166158       -2.6680570571        2.3028295662
H            -1.7112408056       -2.4525840675        0.9413124096
O            -1.3510489793        0.4303886978        1.4120724359
H            -1.7640694726        1.1314570042        1.9148349691
H            -1.8443968113       -0.3854960956        1.6143640452
O             1.2838113841       -0.7283440699        1.0079002085
H             0.5655738885       -0.1867616286        1.3603002371
H             1.6471681112       -0.1912782533        0.2869043376
O            -0.9984986706        0.0235396667       -1.4633420747
H            -0.9041390956       -0.9275782832       -1.3354587773
H            -1.2735635512        0.3359733483       -0.5914651596
    18
 Energy=    -45.5407963481318
O             1.6434179206        0.8197049740       -1.2902660281
H             2.1357455905        0.8876690345       -2.1068750743
H             0.7236589331        0.6180606839       -1.5397947176
O            -0.2744590271       -2.5431805279       -0.1918423108
H             0.4065857646       -1.9749150446        0.2391026076
H             0.1741036433       -3.3349937511       -0.4865373997
O            -2.3852288932       -2.0941846857        1.5429520110
H            -2.3882312452       -2.6690433847        2.3083833782
H            -1.7072073455       -2.4544722781        0.9465318964
O            -1.3548122088        0.4332695656        1.4097650297
H            -1.7701926810        1.1332766052        1.9120784407
H            -1.8442060556       -0.3842880622        1.6145096551
O             1.2804752023       -0.7301407937        1.0065034949
H             0.5645805842       -0.1841620266        1.3567689662
H             1.6484732445       -0.1957158821        0.2859102146
O            -0.9970064855        0.0243022036       -1.4649248031
H            -0.9075840930       -0.9268030802       -1.3330296864
H            -1.2768827936        0.3408902748       -0.5961674977
    18
 Energy=    -45.5414777297534
O             1.6439226976        0.8170066279       -1.2896264365
H             2.1341227978        0.9075042279       -2.1052469729
H             0.7247297260        0.6156973580       -1.5413755137
O            -0.2763672396       -2.5443643920       -0.1920585775
H             0.4058626909       -1.9776558968        0.2389148786
H             0.1707206849       -3.3361151394       -0.4890610881
O            -2.3849909417       -2.0927215333        1.5455769669
H            -2.3863884035       -2.6664364601        2.3118095189
H            -1.7086634394       -2.4542719736        0.9480958361
O            -1.3548098814        0.4346061153        1.4083375961
H            -1.7705150840        1.1356032576        1.9090226352
H            -1.8444352674       -0.3824935550        1.6143147604
O             1.2798558549       -0.7334285123        1.0071527636
H             0.5638058373       -0.1866257446        1.3558847392
H             1.6499599917       -0.1995645793        0.2873709171
O            -0.9953788797        0.0207699628       -1.4658189066
H            -0.9054092321       -0.9301798917       -1.3331069383
H            -1.2747918570        0.3379439531       -0.5971180015
    18
 Energy=    -45.5414777298028
O             1.6439226619        0.8170066147       -1.2896264647
H             2.1341227950        0.9075042974       -2.1052469722
H             0.7247297019        0.6156973572       -1.5413755953
O            -0.2763672175       -2.5443644031       -0.1920585627
H             0.4058626611       -1.9776558639        0.2389149243
H             0.1707207828       -3.3361151204       -0.4890610389
O            -2.3849910065       -2.0927215082        1.5455769300
H            -2.3863883857       -2.6664364410        2.3118094792
H            -1.7086635428       -2.4542719407        0.9480957530
O            -1.3548098279        0.4346060983        1.4083376284
H            -1.7705150368        1.1356032646        1.9090226285
H            -1.8444352518       -0.3824935522        1.6143147794
O             1.2798558602       -0.7334285359        1.0071527576
H             0.5638058747       -0.1866257838        1.3558848228
H             1.6499599058       -0.1995645873        0.2873708727
O            -0.9953788970        0.0207699297       -1.4658188871
H            -0.9054091967       -0.9301799190       -1.3331069127
H            -1.2747918253        0.3379439181       -0.5971179653
    18
 Energy=    -45.5409240869125
O             1.6433082021        0.8190938431       -1.2868004210
H             2.1344438978        0.9189662348       -2.1008005441
H             0.7252656175        0.6160445075       -1.5414278367
O            -0.2787286487       -2.5466242386       -0.1929749462
H             0.4033458027       -1.9794321486        0.2376819654
H             0.1674680572       -3.3416118422       -0.4826819840
O            -2.3832497265       -2.0918700330        1.5476791434
H            -2.3824467768       -2.6658771229        2.3137474206
H            -1.7084642088       -2.4533422525        0.9482368010
O            -1.3542856720        0.4355111975        1.4063256692
H            -1.7702433280        1.1372750672        1.9057058528
H            -1.8435111526       -0.3814356118        1.6137620027
O             1.2787631015       -0.7363349608        1.0054021750
H             0.5633920121       -0.1882320053        1.3533468559
H             1.6510730108       -0.2026225996        0.2867221238
O            -0.9950903316        0.0206047974       -1.4668328613
H            -0.9065313371       -0.9308383516       -1.3370261699
H            -1.2732784660        0.3359993442       -0.5969970693
    18
 Energy=    -45.5399131235169
O             1.6406148988        0.8278720833       -1.2826449589
H             2.1327394451        0.9265093501       -2.0959557981
H             0.7234953501        0.6217122684       -1.5386395864
O            -0.2801892391       -2.5505366710       -0.1920264833
H             0.4034502790       -1.9836297542        0.2362778792
H             0.1638880248       -3.3475201545       -0.4797727071
O            -2.3835928900       -2.0902136351        1.5496641235
H            -2.3827910850       -2.6631280757        2.3164952613
H            -1.7089654128       -2.4526169786        0.9506679139
O            -1.3512601117        0.4347499337        1.4039377360
H            -1.7653077470        1.1395739441        1.9005413775
H            -1.8424178469       -0.3804174749        1.6140104079
O             1.2787981399       -0.7391158930        1.0028459870
H             0.5641232372       -0.1926245441        1.3546025939
H             1.6490520589       -0.2023907393        0.2850422241
O            -0.9938030702        0.0183166196       -1.4699878065
H            -0.9053828970       -0.9334058968       -1.3428013809
H            -1.2712210765        0.3321394423       -0.5991886064
    18
 Energy=    -45.5388673803769
O             1.6403351000        0.8259186612       -1.2814725581
H             2.1294434672        0.9496830039       -2.0935461802
H             0.7244155661        0.6200858566       -1.5397235825
O            -0.2818134709       -2.5523155982       -0.1910776858
H             0.4032739360       -1.9869336904        0.2367947193
H             0.1605446930       -3.3488084120       -0.4821826605
O            -2.3849913292       -2.0883508241        1.5518977967
H            -2.3837877265       -2.6583326101        2.3209419211
H            -1.7109683399       -2.4529161764        0.9535952819
O            -1.3491637877        0.4344604910        1.4009077794
H            -1.7622192443        1.1409298745        1.8960844749
H            -1.8420707948       -0.3791843240        1.6123845281
O             1.2803911635       -0.7428823736        1.0041571680
H             0.5649593884       -0.1963435364        1.3542714939
H             1.6508189233       -0.2061735927        0.2868321565
O            -0.9931808436        0.0148548484       -1.4720099368
H            -0.9024900018       -0.9364663635       -1.3428599496
H            -1.2722666406        0.3280485900       -0.6019265901
    18
 Energy=    -45.5364277032378
O             1.6371983706        0.8330227700       -1.2754847974
H             2.1251576905        0.9653288277       -2.0865216789
H             0.7228013533        0.6198842206       -1.5350577057
O            -0.2845965520       -2.5543860360       -0.1890063684
H             0.4023923327       -1.9905394143        0.2381885030
H             0.1569950008       -3.3488232464       -0.4872223909
O            -2.3882138225       -2.0869878174        1.5546475571
H            -2.3842129338       -2.6538015464        2.3260853106
H            -1.7158179368       -2.4538140039        0.9561007123
O            -1.3476252642        0.4348310922        1.3960417783
H            -1.7590600360        1.1419281230        1.8916677397
H            -1.8412135391       -0.3781011534        1.6087228232
O             1.2825600723       -0.7464310106        1.0000993864
H             0.5686433743       -0.1967492883        1.3487959406
H             1.6566131617       -0.2105437740        0.2839438231
O            -0.9896581039        0.0072731514       -1.4736540458
H            -0.8991552601       -0.9432739283       -1.3378198266
H            -1.2715778532        0.3264568583       -0.6064585835
    18
 Energy=    -45.5351425555351
O             1.6391099749        0.8250921442       -1.2760229381
H             2.1230354998        0.9766452657       -2.0863363142
H             0.7242972611        0.6142650825       -1.5355097928
O            -0.2853144012       -2.5549294900       -0.1872427163
H             0.4023012266       -1.9903827388        0.2375594969
H             0.1564508625       -3.3478732047       -0.4890052723
O            -2.3885212920       -2.0869110952        1.5547284184
H            -2.3839501480       -2.6531461495        2.3265535196
H            -1.7165771200       -2.4543681031        0.9560437063
O            -1.3482760825        0.4353619619        1.3954026119
H            -1.7594005068        1.1420735258        1.8918281707
H            -1.8408410379       -0.3779807287        1.6089275281
O             1.2829298901       -0.7457777931        1.0015864195
H             0.5685498687       -0.1954948181        1.3483009211
H             1.6574480283       -0.2118929066        0.2843462832
O            -0.9911457425        0.0067902086       -1.4743750665
H            -0.8986066030       -0.9432922706       -1.3370090982
H            -1.2702596212        0.3270949348       -0.6067077018
    18
 Energy=    -45.5288624612530
O             1.6419454168        0.8077808746       -1.2780372798
H             2.1195919333        0.9939748946       -2.0861921849
H             0.7249067373        0.6088345159       -1.5399291487
O            -0.2860911937       -2.5547788660       -0.1873511286
H             0.4009563714       -1.9908693864        0.2391093477
H             0.1565709203       -3.3465461341       -0.4909818794
O            -2.3881382360       -2.0863913595        1.5550834091
H            -2.3837212945       -2.6527488369        2.3268286124
H            -1.7169607419       -2.4545098962        0.9559560816
O            -1.3483810581        0.4358343841        1.3961376644
H            -1.7605092593        1.1421822634        1.8922597285
H            -1.8409886969       -0.3777881248        1.6084987335
O             1.2836907371       -0.7447909246        1.0040621234
H             0.5675761217       -0.1949077875        1.3476524178
H             1.6595847130       -0.2113366031        0.2872758027
O            -0.9876569558        0.0070909788       -1.4733553286
H            -0.9008399456       -0.9436727410       -1.3368392383
H            -1.2703055130        0.3279165731       -0.6071095580
    18
 Energy=    -45.5262481430172
O             1.6430219268        0.8030781025       -1.2790741496
H             2.1187021657        0.9990493992       -2.0861702352
H             0.7249695023        0.6070636302       -1.5412215509
O            -0.2862401472       -2.5546348181       -0.1874379707
H             0.4006626464       -1.9909636650        0.2395975677
H             0.1566576741       -3.3461252409       -0.4914824196
O            -2.3880449677       -2.0862665893        1.5551720765
H            -2.3836667178       -2.6526563524        2.3268918250
H            -1.7169909677       -2.4544900440        0.9559637488
O            -1.3484434258        0.4359702635        1.3963518267
H            -1.7608469562        1.1421949204        1.8924177447
H            -1.8410511804       -0.3777372469        1.6083966102
O             1.2836696345       -0.7447059254        1.0048516843
H             0.5672686798       -0.1947086111        1.3476514537
H             1.6602632179       -0.2114525359        0.2882789076
O            -0.9869541887        0.0072268002       -1.4731293259
H            -0.9014404469       -0.9437209989       -1.3368486373
H            -1.2703063920        0.3281527353       -0.6071409800
    18
 Energy=    -45.5231820124329
O             1.6465049088        0.7909161373       -1.2837352796
H             2.1157911148        1.0135575231       -2.0858651465
H             0.7263618122        0.6013685627       -1.5446086400
O            -0.2864593788       -2.5541082302       -0.1873347996
H             0.4002434019       -1.9908329378        0.2405764487
H             0.1569545147       -3.3447931349       -0.4927856865
O            -2.3879056736       -2.0860424683        1.5553069188
H            -2.3835189467       -2.6523986494        2.3270456458
H            -1.7168841886       -2.4543356976        0.9560766387
O            -1.3488987288        0.4364164144        1.3967492570
H            -1.7618292804        1.1421989248        1.8930027069
H            -1.8411946906       -0.3776256161        1.6083316780
O             1.2829464688       -0.7450856013        1.0075369590
H             0.5664110667       -0.1938537615        1.3481829599
H             1.6620955633       -0.2131199893        0.2914641453
O            -0.9869584942        0.0076810537       -1.4730580597
H            -0.9025166337       -0.9434704138       -1.3369068633
H            -1.2699127806        0.3288017084       -0.6069107090
    18
 Energy=    -45.5195802909297
O             1.6482608226        0.7879112834       -1.2847814460
H             2.1137875629        1.0173961090       -2.0855465519
H             0.7275538709        0.5997208233       -1.5463399957
O            -0.2864836770       -2.5540022794       -0.1871340652
H             0.4002602403       -1.9905665828        0.2406844074
H             0.1570179853       -3.3444306910       -0.4931698251
O            -2.3879262338       -2.0860285725        1.5553497065
H            -2.3834746354       -2.6522983745        2.3270546372
H            -1.7167961389       -2.4542926379        0.9561126933
O            -1.3491490489        0.4365842027        1.3967963650
H            -1.7620935760        1.1422128948        1.8932008182
H            -1.8412087834       -0.3776392918        1.6083846502
O             1.2826320772       -0.7454659944        1.0085033732
H             0.5662558220       -0.1934534143        1.3483551865
H             1.6624523490       -0.2138986962        0.2924347138
O            -0.9875656244        0.0078586541       -1.4732887525
H            -0.9025819911       -0.9433256959       -1.3368951746
H            -1.2697109670        0.3289920882       -0.6066525659
    18
 Energy=    -45.5146549740461
O             1.6426684297        0.8049960814       -1.2763206433
H             2.1192286128        0.9956772896       -2.0863609584
H             0.7234133042        0.6087744498       -1.5412057234
O            -0.2863924973       -2.5548513947       -0.1877552810
H             0.4004769883       -1.9912487545        0.2397344742
H             0.1565664323       -3.3465614885       -0.4912976291
O            -2.3879919715       -2.0862179796        1.5552566297
H            -2.3836948371       -2.6527041599        2.3268632310
H            -1.7171448783       -2.4546008709        0.9558606003
O            -1.3481349695        0.4358296264        1.3964408842
H            -1.7606084187        1.1422246065        1.8921829247
H            -1.8410476144       -0.3777493279        1.6082307085
O             1.2843473483       -0.7442793932        1.0039834166
H             0.5674351624       -0.1950683478        1.3471089668
H             1.6599305479       -0.2099739167        0.2872747897
O            -0.9853622417        0.0071422180       -1.4728454599
H            -0.9016899840       -0.9441816606       -1.3367969617
H            -1.2707693567        0.3280668458       -0.6072857926
    18
 Energy=    -45.5121742161124
O             1.6515199950        0.7687329198       -1.2933770031
H             2.1128124789        1.0399582952       -2.0853995516
H             0.7273058781        0.5910219747       -1.5489982695
O            -0.2868862714       -2.5530635741       -0.1874570992
H             0.3993097054       -1.9909942992        0.2426085025
H             0.1575371115       -3.3423337501       -0.4950492120
O            -2.3875916641       -2.0855936201        1.5556049556
H            -2.3832622143       -2.6519532954        2.3273264664
H            -1.7167378003       -2.4540514146        0.9562621821
O            -1.3495212902        0.4371761834        1.3975694102
H            -1.7636083228        1.1421470633        1.8939946610
H            -1.8415089038       -0.3773482046        1.6081153143
O             1.2817159045       -0.7453457796        1.0120293447
H             0.5646943212       -0.1926007717        1.3492121487
H             1.6657110908       -0.2157350695        0.2970690310
O            -0.9861111216        0.0084128807       -1.4725930226
H            -0.9048120404       -0.9431192749       -1.3370745979
H            -1.2693368009        0.3299635613       -0.6067750824
    18
 Energy=    -45.5056792947479
O             1.6558254891        0.7522337556       -1.3017018154
H             2.1089878350        1.0605857934       -2.0847842736
H             0.7303582712        0.5825505033       -1.5529311977
O            -0.2870247902       -2.5522298253       -0.1870897813
H             0.3989371594       -1.9906308153        0.2437124528
H             0.1579797773       -3.3403159197       -0.4967932955
O            -2.3874676518       -2.0853626382        1.5557236752
H            -2.3830579536       -2.6515877142        2.3275259579
H            -1.7164738923       -2.4537720352        0.9564802751
O            -1.3503235949        0.4378479710        1.3979908329
H            -1.7650143180        1.1421151709        1.8949031728
H            -1.8416951077       -0.3771959955        1.6081702545
O             1.2802589154       -0.7461284924        1.0160251436
H             0.5634862740       -0.1912761715        1.3503324992
H             1.6682672503       -0.2189989831        0.3018142943
O            -0.9873952047        0.0090324406       -1.4727232915
H            -0.9059478834       -0.9424266157       -1.3371949551
H            -1.2684705191        0.3308333964       -0.6063917709
    18
 Energy=    -45.5018559829556
O             1.6542914749        0.7542304826       -1.3004234682
H             2.1106085301        1.0578476625       -2.0853561820
H             0.7294774123        0.5838420405       -1.5517309087
O            -0.2870362722       -2.5523279176       -0.1872676306
H             0.3989074512       -1.9908418781        0.2436671901
H             0.1579297199       -3.3405993189       -0.4965210320
O            -2.3874603884       -2.0853747880        1.5557420922
H            -2.3830900649       -2.6516416945        2.3274939657
H            -1.7165373903       -2.4538204505        0.9564326795
O            -1.3501211000        0.4377365335        1.3979760667
H            -1.7648113174        1.1421001513        1.8947408576
H            -1.8416905928       -0.3771922723        1.6081162778
O             1.2805510465       -0.7458461092        1.0152973944
H             0.5635851538       -0.1915706245        1.3501668806
H             1.6680168118       -0.2182982711        0.3010473171
O            -0.9867788539        0.0089101608       -1.4725792083
H            -0.9059410529       -0.9425940553       -1.3371933112
H            -1.2686705124        0.3307141732       -0.6065408050
    18
 Energy=    -45.5004180309396
O             1.6617809328        0.7345407414       -1.3109409889
H             2.1031714003        1.0831018310       -2.0835230626
H             0.7346100571        0.5730481178       -1.5582420725
O            -0.2871235285       -2.5513396469       -0.1864742422
H             0.3986647955       -1.9899671341        0.2447433515
H             0.1584485850       -3.3380874257       -0.4987571757
O            -2.3873760602       -2.0851457202        1.5558042079
H            -2.3828272806       -2.6511761070        2.3277461898
H            -1.7161344467       -2.4534496768        0.9567468217
O            -1.3513569451        0.4386210430        1.3983791071
H            -1.7665726244        1.1421085000        1.8959617055
H            -1.8418661013       -0.3770704037        1.6083105316
O             1.2785027131       -0.7472823470        1.0207064259
H             0.5622616305       -0.1896335611        1.3515953388
H             1.6709151654       -0.2230129933        0.3072074104
O            -0.9895448515        0.0097707468       -1.4730857801
H            -0.9069413648       -0.9415416670       -1.3373032907
H            -1.2673820212        0.3317895275       -0.6058062988
    18
 Energy=    -45.4981278910663
O             1.6674419298        0.7213358747       -1.3179007734
H             2.0973800221        1.1001870967       -2.0821471667
H             0.7384919838        0.5656549787       -1.5632057435
O            -0.2871578070       -2.5506893083       -0.1858372632
H             0.3985620523       -1.9892439274        0.2453916043
H             0.1587885040       -3.3363770849       -0.5003010761
O            -2.3873422697       -2.0850091398        1.5558324007
H            -2.3826456561       -2.6508506940        2.3279122803
H            -1.7158361359       -2.4531934388        0.9569692163
O            -1.3522684606        0.4392409423        1.3986206601
H            -1.7677732142        1.1421282793        1.8968169239
H            -1.8419694292       -0.3770104020        1.6084780541
O             1.2770435469       -0.7483925985        1.0245187680
H             0.5614197794       -0.1882309146        1.3525675694
H             1.6728024967       -0.2264064028        0.3114759550
O            -0.9917563909        0.0103804455       -1.4735222746
H            -0.9075050070       -0.9407681739       -1.3373662674
H            -1.2664458900        0.3325182929       -0.6052346914
    18
 Energy=    -45.4942487814860
O             1.6686473608        0.7183291454       -1.3179064414
H             2.0965001365        1.1039699978       -2.0828837486
H             0.7389556393        0.5641975926       -1.5645654669
O            -0.2871743385       -2.5505734334       -0.1856881596
H             0.3985692755       -1.9890565367        0.2455011963
H             0.1588548145       -3.3360560244       -0.5006138107
O            -2.3873417796       -2.0849855400        1.5558325502
H            -2.3826096362       -2.6507865162        2.3279452002
H            -1.7157720567       -2.4531430988        0.9570142476
O            -1.3524661402        0.4393634909        1.3986618100
H            -1.7680073690        1.1421391999        1.8969904583
H            -1.8419837371       -0.3770052975        1.6085181949
O             1.2767465744       -0.7486538894        1.0252986639
H             0.5612749065       -0.1879278807        1.3527472368
H             1.6731445105       -0.2270968059        0.3123164048
O            -0.9922640526        0.0105168407       -1.4736443002
H            -0.9075848533       -0.9406215851       -1.3373719587
H            -1.2662591995        0.3326641642       -0.6050839014
    18
 Energy=    -45.4935226167984
O             1.6770014328        0.6876067536       -1.3333243543
H             2.0893982838        1.1325163307       -2.0711462561
H             0.7422699369        0.5524016816       -1.5708980241
O            -0.2872366664       -2.5496622593       -0.1849674974
H             0.3986327888       -1.9884163183        0.2461507773
H             0.1593146094       -3.3335862083       -0.5030703115
O            -2.3870235938       -2.0845153206        1.5560646723
H            -2.3824695356       -2.6502869378        2.3281984410
H            -1.7155148757       -2.4528817935        0.9572745699
O            -1.3534799220        0.4402976547        1.3994936084
H            -1.7699317945        1.1421134885        1.8984055485
H            -1.8420993395       -0.3768483342        1.6086598608
O             1.2760918067       -0.7470371123        1.0278527432
H             0.5599186185       -0.1861905284        1.3534728704
H             1.6735563306       -0.2264984086        0.3148434033
O            -0.9926540763        0.0120743482       -1.4727269497
H            -0.9088006133       -0.9393303114       -1.3375602932
H            -1.2657433329        0.3335170983       -0.6036546335
    18
 Energy=    -45.4993567741650
O             1.6860251271        0.6517856886       -1.3531075835
H             2.0814521593        1.1648412350       -2.0549331413
H             0.7461120797        0.5384483259       -1.5775272306
O            -0.2872804645       -2.5485979298       -0.1842335682
H             0.3987091648       -1.9878149088        0.2468773052
H             0.1598350749       -3.3307511946       -0.5058990935
O            -2.3866024692       -2.0839234376        1.5563746952
H            -2.3823317472       -2.6497093446        2.3284917323
H            -1.7152637097       -2.4526023915        0.9575612301
O            -1.3545510812        0.4413661348        1.4005466537
H            -1.7721673609        1.1420636728        1.9000423137
H            -1.8422381940       -0.3766426955        1.6087952871
O             1.2756424736       -0.7444802848        1.0301660578
H             0.5583026255       -0.1842720453        1.3541992033
H             1.6736577847       -0.2249827971        0.3168326860
O            -0.9924439208        0.0139176835       -1.4713468495
H            -0.9103489148       -0.9378415038       -1.3377821573
H            -1.2652785718        0.3344696172       -0.6019893634
    18
 Energy=    -45.5014856152528
O             1.6876627565        0.6400884874       -1.3595103469
H             2.0804160685        1.1737945995       -2.0477472480
H             0.7462804027        0.5341291125       -1.5787070114
O            -0.2872783136       -2.5483014277       -0.1841882296
H             0.3987773783       -1.9878416326        0.2470290547
H             0.1599672404       -3.3300328115       -0.5066695492
O            -2.3864005572       -2.0836772444        1.5565284323
H            -2.3823361981       -2.6495513974        2.3285752430
H            -1.7152691365       -2.4525665070        0.9576142031
O            -1.3546855890        0.4416376530        1.4009942729
H            -1.7727988667        1.1420238822        1.9004989574
H            -1.8422796833       -0.3765500872        1.6087881850
O             1.2760528921       -0.7426515397        1.0297117535
H             0.5578183813       -0.1838598143        1.3541547309
H             1.6729768071       -0.2230962232        0.3157486060
O            -0.9912832055        0.0145269251       -1.4704678072
H            -0.9110042088       -0.9374819419       -1.3378362320
H            -1.2653861136        0.3346837921       -0.6014488394
    18
 Energy=    -45.5025410867487
O             1.6884887209        0.6348078792       -1.3624126588
H             2.0798916388        1.1778208220       -2.0444604680
H             0.7463368965        0.5321857155       -1.5792765666
O            -0.2872785826       -2.5481687384       -0.1841638821
H             0.3988122623       -1.9878469920        0.2470954383
H             0.1600271793       -3.3297089540       -0.5070200196
O            -2.3863101262       -2.0835662148        1.5565970468
H            -2.3823381055       -2.6494798479        2.3286133084
H            -1.7152706975       -2.4525501956        0.9576384984
O            -1.3547496535        0.4417610525        1.4011959867
H            -1.7730847560        1.1420071457        1.9007068116
H            -1.8422975799       -0.3765094832        1.6087861992
O             1.2762368549       -0.7418356296        1.0295128969
H             0.5576057999       -0.1836669165        1.3541285749
H             1.6726599202       -0.2222414868        0.3152610110
O            -0.9907695243        0.0148051701       -1.4700770164
H            -0.9112970053       -0.9373211461       -1.3378590863
H            -1.2654331852        0.3347816449       -0.6011978964
    18
 Energy=    -45.5065366639999
O             1.6916974957        0.6160628091       -1.3729408118
H             2.0778166968        1.1920465890       -2.0324969127
H             0.7465091100        0.5252630594       -1.5813861046
O            -0.2872827055       -2.5476979498       -0.1840669851
H             0.3989474893       -1.9878490053        0.2473266436
H             0.1602419131       -3.3285537288       -0.5082780963
O            -2.3859890520       -2.0831700299        1.5568398909
H            -2.3823446814       -2.6492238251        2.3287502381
H            -1.7152740347       -2.4524916584        0.9577262717
O            -1.3549868813        0.4422038639        1.4019152336
H            -1.7741075842        1.1419504648        1.9014533666
H            -1.8423592942       -0.3763675901        1.6087823321
O             1.2768899725       -0.7389459695        1.0288199898
H             0.5568617095       -0.1829609705        1.3540201501
H             1.6715043473       -0.2191825196        0.3135210817
O            -0.9889625050        0.0158068702       -1.4686980696
H            -0.9123344051       -0.9367508500       -1.3379366399
H            -1.2655975365        0.3351342651       -0.6002834024
    18
 Energy=    -45.5082916203000
O             1.6926740199        0.6112764709       -1.3757358513
H             2.0771577972        1.1956320862       -2.0292854838
H             0.7465493532        0.5234853796       -1.5819842283
O            -0.2872849913       -2.5475783627       -0.1840338995
H             0.3989900753       -1.9878369314        0.2473811289
H             0.1602976632       -3.3282553991       -0.5086082976
O            -2.3859073849       -2.0830679469        1.5569012234
H            -2.3823462539       -2.6491570186        2.3287862070
H            -1.7152731816       -2.4524763113        0.9577497803
O            -1.3550547125        0.4423201849        1.4021003258
H            -1.7743736016        1.1419380420        1.9016498038
H            -1.8423735629       -0.3763332754        1.6087839622
O             1.2770566289       -0.7382134893        1.0286511384
H             0.5566806328       -0.1827654620        1.3539809938
H             1.6711864501       -0.2183882622        0.3130712244
O            -0.9885161317        0.0160708432       -1.4683511488
H            -0.9125963117       -0.9366041428       -1.3379540442
H            -1.2656364322        0.3352274196       -0.6000346593
    18
 Energy=    -45.5103896600615
O             1.6937426474        0.6063066483       -1.3786586968
H             2.0764162561        1.1993324839       -2.0259045006
H             0.7466077676        0.5216419763       -1.5826362493
O            -0.2872865538       -2.5474550375       -0.1839934910
H             0.3990386020       -1.9878166522        0.2474333345
H             0.1603554484       -3.3279443695       -0.5089547871
O            -2.3858233074       -2.0829622080        1.5569640936
H            -2.3823478182       -2.6490869382        2.3288238408
H            -1.7152711001       -2.4524601331        0.9577748991
O            -1.3551297287        0.4424426087        1.4022920058
H            -1.7746514659        1.1419264105        1.9018565264
H            -1.8423872707       -0.3762990829        1.6087876659
O             1.2772286215       -0.7374589366        1.0284801653
H             0.5564992487       -0.1825536754        1.3539339811
H             1.6708431394       -0.2175622435        0.3126041036
O            -0.9880668219        0.0163476674       -1.4679943189
H            -0.9128641932       -0.9364497339       -1.3379707475
H            -1.2656734157        0.3353250425       -0.5997696486
    18
 Energy=    -45.5148785671515
O             1.6956652483        0.5982035992       -1.3834890382
H             2.0750380642        1.2053093797       -2.0202403091
H             0.7467384007        0.5186168590       -1.5838038145
O            -0.2872872629       -2.5472558618       -0.1839086566
H             0.3991322083       -1.9877593347        0.2475050455
H             0.1604501210       -3.3274315703       -0.5095323362
O            -2.3856882220       -2.0827902040        1.5570642046
H            -2.3823501530       -2.6489701714        2.3288863257
H            -1.7152637151       -2.4524327892        0.9578183005
O            -1.3552665920        0.4426479065        1.4026035980
H            -1.7751111446        1.1419109823        1.9022032548
H            -1.8424062212       -0.3762471877        1.6088002917
O             1.2775050619       -0.7362431369        1.0282145404
H             0.5562211994       -0.1821801928        1.3538401153
H             1.6702435696       -0.2162102220        0.3118378751
O            -0.9873784988        0.0168094274       -1.4674237135
H            -0.9132890557       -0.9361914336       -1.3379933380
H            -1.2657229514        0.3354877751       -0.5993141679
    18
 Energy=    -45.5176405440663
O             1.6966672801        0.5943882545       -1.3857875575
H             2.0742846594        1.2080929447       -2.0174911841
H             0.7468398910        0.5171773733       -1.5844241465
O            -0.2872852432       -2.5471633828       -0.1838549713
H             0.3991861045       -1.9877154407        0.2475286179
H             0.1604947551       -3.3271862027       -0.5098120856
O            -2.3856263203       -2.0827099749        1.5571094587
H            -2.3823510931       -2.6489134779        2.3289163442
H            -1.7152572607       -2.4524191609        0.9578405584
O            -1.3553413419        0.4427484679        1.4027488553
H            -1.7753316841        1.1419060834        1.9023729612
H            -1.8424126988       -0.3762254918        1.6088111802
O             1.2776313749       -0.7356816933        1.0280980086
H             0.5561028447       -0.1819849849        1.3537850010
H             1.6699343981       -0.2155744044        0.3114758155
O            -0.9870885468        0.0170325572       -1.4671628173
H            -0.9134796806       -0.9360639993       -1.3380007692
H            -1.2657373818        0.3355663566       -0.5990850928
    18
 Energy=    -45.5355889937842
O             1.7030016155        0.5784151529       -1.3960066834
H             2.0696265499        1.2194761244       -2.0043463868
H             0.7470890743        0.5104903885       -1.5882554552
O            -0.2872802561       -2.5467798991       -0.1834713459
H             0.3995588071       -1.9873121964        0.2475282775
H             0.1607008568       -3.3260813056       -0.5111247929
O            -2.3853784636       -2.0823663486        1.5572816190
H            -2.3823529081       -2.6486498037        2.3290582235
H            -1.7151919038       -2.4523501079        0.9579587715
O            -1.3557863780        0.4432286248        1.4033677754
H            -1.7763424969        1.1419127153        1.9031887100
H            -1.8424124192       -0.3761592311        1.6089154230
O             1.2781217537       -0.7334073733        1.0277278781
H             0.5557193214       -0.1808970035        1.3534270097
H             1.6682996451       -0.2128004068        0.3098543311
O            -0.9862306210        0.0181061464       -1.4661886626
H            -0.9142025084       -0.9354983420       -1.3379808344
H            -1.2657096119        0.3359466907       -0.5978656790
    18
 Energy=    -45.5414926912876
O             1.7044552927        0.5726380501       -1.3994029953
H             2.0679513564        1.2235630196       -2.0000009743
H             0.7480242058        0.5083243210       -1.5895364479
O            -0.2872368277       -2.5466497163       -0.1832918469
H             0.3996911850       -1.9871383022        0.2474813664
H             0.1607595999       -3.3256934825       -0.5115760079
O            -2.3853020826       -2.0822604884        1.5573348271
H            -2.3823532045       -2.6485539307        2.3291021475
H            -1.7151610931       -2.4523244914        0.9580049869
O            -1.3559679538        0.4434029347        1.4035610013
H            -1.7766863116        1.1419209666        1.9034768087
H            -1.8424050258       -0.3761490732        1.6089684190
O             1.2782715495       -0.7326576424        1.0275948026
H             0.5556457898       -0.1804886016        1.3532751128
H             1.6676624026       -0.2119241249        0.3093563676
O            -0.9860631568        0.0184338818       -1.4658293475
H            -0.9144083117       -0.9352338910       -1.3379764184
H            -1.2656473594        0.3360643945       -0.5974736263
    18
 Energy=    -45.5459057530690
O             1.7056337931        0.5683575582       -1.4020180982
H             2.0666193080        1.2266085879       -1.9966242690
H             0.7487670361        0.5066057856       -1.5905662949
O            -0.2871927130       -2.5465516707       -0.1831358753
H             0.3998019344       -1.9869889337        0.2474268344
H             0.1608033796       -3.3253889042       -0.5119215044
O            -2.3852473295       -2.0821833663        1.5573706392
H            -2.3823532550       -2.6484795398        2.3291361899
H            -1.7151326074       -2.4523027805        0.9580437762
O            -1.3561187081        0.4435399982        1.4037017942
H            -1.7769516150        1.1419277308        1.9037030803
H            -1.8423959558       -0.3761423515        1.6090175270
O             1.2783753055       -0.7320961539        1.0274971404
H             0.5555913879       -0.1801562471        1.3531672090
H             1.6671604446       -0.2112932665        0.3089734371
O            -0.9860026405        0.0186898207       -1.4655714464
H            -0.9145475824       -0.9350262524       -1.3379671073
H            -1.2655801266        0.3361538103       -0.5971648551
    18
 Energy=    -45.5715374363074
O             1.7103746030        0.5525039198       -1.4117154669
H             2.0590678900        1.2378421867       -1.9824534142
H             0.7551692651        0.4990484005       -1.5965743377
O            -0.2867782242       -2.5462019090       -0.1819281215
H             0.4006058384       -1.9857511260        0.2466930084
H             0.1609594228       -3.3240356799       -0.5134071833
O            -2.3851507049       -2.0819875383        1.5573997330
H            -2.3823474883       -2.6481308508        2.3292674041
H            -1.7148626482       -2.4521672778        0.9582914035
O            -1.3571273064        0.4442198102        1.4040678289
H            -1.7780772153        1.1420159572        1.9047987772
H            -1.8422559250       -0.3762135309        1.6094647085
O             1.2784199404       -0.7304041464        1.0273517462
H             0.5558111231       -0.1781604551        1.3526034894
H             1.6643807683       -0.2096542731        0.3075692479
O            -0.9876551860        0.0196815695       -1.4649193318
H            -0.9145768364       -0.9338426241       -1.3377951901
H            -1.2647272609        0.3365113918       -0.5956461238
    18
 Energy=    -45.5787403432548
O             1.7127099276        0.5466076082       -1.4159902554
H             2.0565501126        1.2422421137       -1.9766542921
H             0.7567639905        0.4956969226       -1.5986913999
O            -0.2866349466       -2.5460283173       -0.1814923516
H             0.4009156463       -1.9853224124        0.2464385323
H             0.1610482450       -3.3234821987       -0.5139850214
O            -2.3851053464       -2.0819036324        1.5574192387
H            -2.3823462936       -2.6479947492        2.3293211592
H            -1.7147540158       -2.4521081351        0.9583904692
O            -1.3574939193        0.4444848835        1.4042274566
H            -1.7785384449        1.1420298036        1.9052319393
H            -1.8422100509       -0.3762128688        1.6096339340
O             1.2783752319       -0.7296196935        1.0273094726
H             0.5557901416       -0.1774410963        1.3525001150
H             1.6634495081       -0.2090173278        0.3068568069
O            -0.9882312924        0.0200722846       -1.4647090934
H            -0.9146403297       -0.9334036755       -1.3377246462
H            -1.2644181082        0.3366743144       -0.5950138872
    18
 Energy=    -45.5952159493399
O             1.7241327437        0.5167531395       -1.4395108780
H             2.0458986022        1.2663189005       -1.9460989279
H             0.7637947547        0.4758286601       -1.6088356482
O            -0.2859606359       -2.5451304625       -0.1794250352
H             0.4028466857       -1.9829968204        0.2452681771
H             0.1616341962       -3.3202742653       -0.5169226346
O            -2.3848805734       -2.0814557244        1.5574699193
H            -2.3823490895       -2.6473056534        2.3296509449
H            -1.7140754968       -2.4517120577        0.9589936494
O            -1.3594132480        0.4459424019        1.4050589060
H            -1.7810883925        1.1420041287        1.9075918925
H            -1.8420001750       -0.3761056070        1.6105928014
O             1.2782961187       -0.7250421375        1.0264121749
H             0.5548311740       -0.1733601579        1.3528172317
H             1.6589030879       -0.2067545339        0.3027318310
O            -0.9917664882        0.0225370136       -1.4635107625
H            -0.9151024824       -0.9314756691       -1.3372480695
H            -1.2624707256        0.3375026687       -0.5919673956
    18
 Energy=    -45.6034165202092
O             1.7240849184        0.5194407734       -1.4396235235
H             2.0462733104        1.2656083935       -1.9455795790
H             0.7645711146        0.4737665010       -1.6095491472
O            -0.2855810405       -2.5444099038       -0.1788484934
H             0.4029153122       -1.9828257438        0.2448696510
H             0.1619299665       -3.3203038102       -0.5170414847
O            -2.3849939448       -2.0816074650        1.5575200828
H            -2.3823583509       -2.6472041893        2.3295515102
H            -1.7138402585       -2.4516131749        0.9591031287
O            -1.3596528618        0.4460261740        1.4049635277
H            -1.7812339465        1.1419779684        1.9077887209
H            -1.8419587659       -0.3760596740        1.6107893850
O             1.2761866325       -0.7250899657        1.0278032760
H             0.5557295230       -0.1735769491        1.3528025695
H             1.6593029277       -0.2074994818        0.3013431349
O            -0.9929822618        0.0211569541       -1.4645650754
H            -0.9150502514       -0.9303911189       -1.3372083135
H            -1.2621119681        0.3378785379       -0.5910511934
    18
 Energy=    -45.6151897502628
O             1.7250277805        0.5179019865       -1.4420960542
H             2.0452173219        1.2675600269       -1.9421457287
H             0.7660581072        0.4707225216       -1.6109708552
O            -0.2854044607       -2.5445606039       -0.1786465162
H             0.4034125405       -1.9822673935        0.2446929795
H             0.1619376981       -3.3196560470       -0.5172471022
O            -2.3850084928       -2.0815835833        1.5574003416
H            -2.3823609770       -2.6471633266        2.3296453539
H            -1.7136806976       -2.4515038214        0.9592521533
O            -1.3599998739        0.4462591990        1.4049714672
H            -1.7815554216        1.1419568113        1.9081190648
H            -1.8419156208       -0.3760528232        1.6110037121
O             1.2767090713       -0.7247703913        1.0269761396
H             0.5550900218       -0.1724703933        1.3532803723
H             1.6584792078       -0.2083427634        0.3012236997
O            -0.9943778193        0.0220705007       -1.4642879034
H            -0.9149424617       -0.9306569054       -1.3370075220
H            -1.2614558679        0.3378308311       -0.5910954255
    18
 Energy=    -45.6233310291732
O             1.7295119293        0.5070553441       -1.4542911135
H             2.0413575476        1.2783531493       -1.9258144343
H             0.7700570033        0.4581433218       -1.6165067354
O            -0.2846515925       -2.5436297211       -0.1778634794
H             0.4046194009       -1.9809231806        0.2444358068
H             0.1625620909       -3.3176266947       -0.5185886526
O            -2.3849203346       -2.0814090446        1.5574113924
H            -2.3823986698       -2.6468320416        2.3298255702
H            -1.7130301720       -2.4510701038        0.9597746803
O            -1.3610525525        0.4471053761        1.4054991204
H            -1.7830974426        1.1418674396        1.9095079487
H            -1.8418807489       -0.3758826426        1.6115682430
O             1.2758933649       -0.7224048961        1.0261571438
H             0.5543990623       -0.1697971439        1.3539402623
H             1.6563479928       -0.2091245803        0.2981947959
O            -0.9968863373        0.0229389518       -1.4638423805
H            -0.9158205218       -0.9299508616       -1.3365523817
H            -1.2597799650        0.3384611545       -0.5897876083
    18
 Energy=    -45.6260952487550
O             1.7307071909        0.5034057681       -1.4584660017
H             2.0403815144        1.2818005580       -1.9197336935
H             0.7708542804        0.4540991108       -1.6184195428
O            -0.2843265713       -2.5430011157       -0.1780368879
H             0.4048402873       -1.9807057162        0.2448593620
H             0.1629612116       -3.3169261625       -0.5190208448
O            -2.3848024438       -2.0812845911        1.5575142279
H            -2.3824349623       -2.6467448594        2.3298852749
H            -1.7127633249       -2.4508520568        0.9599865980
O            -1.3612268930        0.4473709840        1.4059258055
H            -1.7837197558        1.1418301468        1.9099767944
H            -1.8419678878       -0.3757673445        1.6116039476
O             1.2754244343       -0.7214911409        1.0258193898
H             0.5542838886       -0.1689407701        1.3539039239
H             1.6557855586       -0.2092642297        0.2966788135
O            -0.9965627645        0.0228756883       -1.4635790749
H            -0.9168797074       -0.9299838683       -1.3363747615
H            -1.2593240001        0.3388534239       -0.5894551524
    18
 Energy=    -45.6326672716375
O             1.7322049152        0.4963830722       -1.4655349743
H             2.0383960089        1.2873553920       -1.9075195865
H             0.7720614722        0.4479808899       -1.6223248444
O            -0.2836125913       -2.5415093377       -0.1791723953
H             0.4048436426       -1.9805790163        0.2465580904
H             0.1640123955       -3.3155608641       -0.5197327051
O            -2.3843910691       -2.0809273509        1.5578913670
H            -2.3825451208       -2.6466263701        2.3299764405
H            -1.7121645127       -2.4503383089        0.9604178602
O            -1.3612350269        0.4478499319        1.4071968910
H            -1.7850605156        1.1418037782        1.9108452705
H            -1.8422909126       -0.3754799244        1.6113761994
O             1.2748390749       -0.7197193502        1.0246784354
H             0.5543406988       -0.1671782435        1.3530047530
H             1.6544680549       -0.2094647725        0.2933894321
O            -0.9938426344        0.0223170041       -1.4625872099
H            -0.9203087589       -0.9307656622       -1.3358774995
H            -1.2584850653        0.3397329553       -0.5895173496
    18
 Energy=    -45.6404548493961
O             1.7331916107        0.4878606609       -1.4714773924
H             2.0357862243        1.2915489923       -1.8919398635
H             0.7724217865        0.4447986140       -1.6266010991
O            -0.2829894532       -2.5400085463       -0.1811538290
H             0.4038409231       -1.9803685285        0.2492991376
H             0.1658731954       -3.3138687868       -0.5202841190
O            -2.3833941778       -2.0802346217        1.5583585003
H            -2.3826980084       -2.6466058722        2.3300714924
H            -1.7112806602       -2.4497211631        0.9609306666
O            -1.3608564401        0.4485728076        1.4093529359
H            -1.7869553390        1.1419378864        1.9118777934
H            -1.8427205866       -0.3749790526        1.6107929489
O             1.2756122316       -0.7178654106        1.0226475046
H             0.5548785727       -0.1646284956        1.3498524892
H             1.6518542567       -0.2097935839        0.2881544334
O            -0.9878409104        0.0209021022       -1.4613082535
H            -0.9264527201       -0.9332595040       -1.3346165093
H            -1.2570404485        0.3409863263       -0.5908886602
    18
 Energy=    -45.6415509671988
O             1.7335880704        0.4870762233       -1.4712112804
H             2.0351399393        1.2916337241       -1.8908237015
H             0.7728766801        0.4451678668       -1.6267808968
O            -0.2831291778       -2.5403982327       -0.1806224519
H             0.4036780742       -1.9799241794        0.2488065030
H             0.1660123644       -3.3137416475       -0.5203037414
O            -2.3832716712       -2.0801984159        1.5582372119
H            -2.3826716953       -2.6465773536        2.3300517268
H            -1.7111941930       -2.4498073414        0.9609299257
O            -1.3610354382        0.4487616364        1.4093153151
H            -1.7870846318        1.1420150551        1.9119996656
H            -1.8425660658       -0.3749453782        1.6109396758
O             1.2760525642       -0.7178896846        1.0226604906
H             0.5550379182       -0.1643206644        1.3492963870
H             1.6512244685       -0.2100229996        0.2875272380
O            -0.9884605910        0.0208365544       -1.4616755752
H            -0.9263620470       -0.9334516312       -1.3343432833
H            -1.2566045130        0.3410602940       -0.5909350320
    18
 Energy=    -45.6454843285047
O             1.7349050141        0.4805407827       -1.4741926631
H             2.0336273547        1.2953048515       -1.8756580969
H             0.7738381756        0.4421366624       -1.6291383772
O            -0.2834786882       -2.5412593218       -0.1788099103
H             0.4024526881       -1.9776470246        0.2478509666
H             0.1680174198       -3.3119949444       -0.5206221804
O            -2.3821733981       -2.0797188435        1.5580601822
H            -2.3826111088       -2.6462464529        2.3298286981
H            -1.7100512395       -2.4500035296        0.9612625233
O            -1.3617730664        0.4503069813        1.4100600217
H            -1.7888701935        1.1424091582        1.9132591787
H            -1.8418738215       -0.3743197870        1.6115240667
O             1.2772565504       -0.7159330180        1.0210116247
H             0.5559717380       -0.1618152047        1.3457191926
H             1.6477907409       -0.2125230318        0.2800742330
O            -0.9892566382        0.0188736616       -1.4626803104
H            -0.9290639452       -0.9352678430       -1.3324896141
H            -1.2534775260        0.3424307265       -0.5919913580
    18
 Energy=    -45.6475303531553
O             1.7343836500        0.4784869263       -1.4749219889
H             2.0345044700        1.2966443293       -1.8674684704
H             0.7732636764        0.4406764448       -1.6296954588
O            -0.2838621858       -2.5414653893       -0.1779305816
H             0.4016661540       -1.9765649930        0.2477804008
H             0.1694608531       -3.3113181943       -0.5206898783
O            -2.3814778305       -2.0794472967        1.5580588352
H            -2.3825940489       -2.6460148824        2.3296527058
H            -1.7093420436       -2.4502072099        0.9614606088
O            -1.3619586717        0.4511741438        1.4103072737
H            -1.7898757663        1.1427627143        1.9139410414
H            -1.8413912575       -0.3738627391        1.6117787920
O             1.2775759298       -0.7148793243        1.0191547537
H             0.5564866128       -0.1605061895        1.3438190713
H             1.6464333074       -0.2142999889        0.2753540501
O            -0.9892858116        0.0173167120       -1.4632362298
H            -0.9307900601       -0.9364980424       -1.3314513889
H            -1.2519669228        0.3432768047       -0.5928453605
    18
 Energy=    -45.6487788647287
O             1.7313971553        0.4802557231       -1.4708992569
H             2.0383098339        1.2951985501       -1.8633336522
H             0.7706169186        0.4427535218       -1.6279191483
O            -0.2839814902       -2.5424403814       -0.1771930330
H             0.4007387036       -1.9761537435        0.2484328111
H             0.1704430851       -3.3112149354       -0.5199654690
O            -2.3807290498       -2.0792809253        1.5581768053
H            -2.3826468043       -2.6456370212        2.3295363164
H            -1.7088259584       -2.4509710544        0.9615212808
O            -1.3619739008        0.4523667956        1.4096288458
H            -1.7899080638        1.1432373321        1.9138524147
H            -1.8402360247       -0.3732558541        1.6117865536
O             1.2764933676       -0.7156033774        1.0149140452
H             0.5578500891       -0.1599418094        1.3420443745
H             1.6466329069       -0.2154737341        0.2711155128
O            -0.9898087358        0.0158948720       -1.4639049476
H            -0.9309166496       -0.9377631422       -1.3305702129
H            -1.2522253289        0.3433030086       -0.5941550661
    18
 Energy=    -45.6499577596903
O             1.7318478909        0.4787352129       -1.4717391445
H             2.0377771088        1.2963857645       -1.8619196175
H             0.7709794100        0.4420696124       -1.6284162620
O            -0.2840096470       -2.5423251035       -0.1771624653
H             0.4009911089       -1.9761511438        0.2486502241
H             0.1704562662       -3.3113095958       -0.5201141738
O            -2.3806880782       -2.0792494017        1.5581655373
H            -2.3826784178       -2.6455945447        2.3296533713
H            -1.7088630903       -2.4510081613        0.9615735635
O            -1.3619643239        0.4524454732        1.4094298105
H            -1.7899298052        1.1433553339        1.9139149479
H            -1.8401260260       -0.3732520235        1.6117532695
O             1.2762023383       -0.7157606452        1.0143662836
H             0.5579761950       -0.1597466761        1.3421022012
H             1.6465439509       -0.2150693788        0.2711551452
O            -0.9900482888        0.0161211037       -1.4637824389
H            -0.9306164379       -0.9375061522       -1.3306190557
H            -1.2526200971        0.3431341505       -0.5939430196
    18
 Energy=    -45.6511776605876
O             1.7314102968        0.4793115536       -1.4689144479
H             2.0380499808        1.2960282535       -1.8601539904
H             0.7708679565        0.4440106646       -1.6282000103
O            -0.2838093674       -2.5428849497       -0.1769559946
H             0.4007716734       -1.9764995088        0.2490201020
H             0.1706093049       -3.3119219127       -0.5196544457
O            -2.3801929899       -2.0790015550        1.5583485960
H            -2.3828326052       -2.6453487675        2.3300249160
H            -1.7087817917       -2.4514043098        0.9618118635
O            -1.3617303889        0.4532323390        1.4085648291
H            -1.7894569415        1.1437857747        1.9134334850
H            -1.8391269400       -0.3727346183        1.6111836880
O             1.2756420490       -0.7171520647        1.0122910845
H             0.5589990907       -0.1596124931        1.3411862215
H             1.6460638192       -0.2154268045        0.2698125689
O            -0.9912812028        0.0160049051       -1.4640294097
H            -0.9290753144       -0.9374074162       -1.3305962650
H            -1.2548965749        0.3422947341       -0.5941046156
    18
 Energy=    -45.6523244724643
O             1.7316901557        0.4792090315       -1.4689067211
H             2.0376041340        1.2996498079       -1.8529452853
H             0.7712183961        0.4444312649       -1.6285291259
O            -0.2836037239       -2.5437735958       -0.1779052910
H             0.4006122946       -1.9779609685        0.2494797787
H             0.1709386409       -3.3135117866       -0.5188935727
O            -2.3788902212       -2.0777579559        1.5594553171
H            -2.3830932314       -2.6444168597        2.3309248686
H            -1.7083427807       -2.4515645865        0.9628571545
O            -1.3606275704        0.4546026333        1.4071170080
H            -1.7888002487        1.1449716132        1.9122672979
H            -1.8375287058       -0.3714200079        1.6096887686
O             1.2761689230       -0.7179021141        1.0117237126
H             0.5593446194       -0.1603173610        1.3400562931
H             1.6443606104       -0.2179362188        0.2666957687
O            -0.9923229140        0.0158757100       -1.4639888747
H            -0.9271744711       -0.9374294433       -1.3311325212
H            -1.2603238517        0.3405246608       -0.5948964009
    18
 Energy=    -45.6533855587668
O             1.7308316603        0.4808626894       -1.4695105239
H             2.0369136173        1.3041703695       -1.8472191950
H             0.7698615223        0.4486418575       -1.6264678272
O            -0.2835961504       -2.5455819471       -0.1782109259
H             0.4009141313       -1.9802152268        0.2488160178
H             0.1703101951       -3.3164642987       -0.5177469981
O            -2.3771550530       -2.0761109254        1.5604668746
H            -2.3829539458       -2.6423244756        2.3322134039
H            -1.7076140935       -2.4514254698        0.9638429575
O            -1.3601832287        0.4558017942        1.4045376259
H            -1.7868754391        1.1467203361        1.9098617947
H            -1.8362711131       -0.3702596838        1.6099880579
O             1.2760976791       -0.7202971560        1.0116355391
H             0.5593439580       -0.1625090641        1.3393211597
H             1.6443016914       -0.2205441524        0.2667380903
O            -0.9929693450        0.0144421863       -1.4656051959
H            -0.9262763703       -0.9388740815       -1.3323301289
H            -1.2634496609        0.3392410728       -0.5972625507
    18
 Energy=    -45.6557342678513
O             1.7274153652        0.4907308001       -1.4640710494
H             2.0273440078        1.3223542066       -1.8282758565
H             0.7675886954        0.4518227437       -1.6264558825
O            -0.2858675581       -2.5527002106       -0.1780986011
H             0.4009682685       -1.9882328635        0.2461408543
H             0.1645372712       -3.3266450733       -0.5151769097
O            -2.3745045662       -2.0719281196        1.5637267185
H            -2.3788420434       -2.6365978489        2.3367428414
H            -1.7049295576       -2.4481944860        0.9673327750
O            -1.3562519529        0.4579047402        1.3997874614
H            -1.7801168702        1.1529531260        1.9019139232
H            -1.8361529632       -0.3652023747        1.6077385269
O             1.2760901960       -0.7271679014        1.0097451643
H             0.5580754431       -0.1702692475        1.3364101121
H             1.6463119074       -0.2246238147        0.2677276176
O            -0.9933361328        0.0100790654       -1.4713008827
H            -0.9253999700       -0.9431324012       -1.3388389120
H            -1.2616994838        0.3341234833       -0.6019797232
    18
 Energy=    -45.6575053824151
O             1.7297635728        0.5021827580       -1.4598199762
H             2.0211428844        1.3403660880       -1.8159333157
H             0.7704596325        0.4552885733       -1.6234269627
O            -0.2918954491       -2.5555273141       -0.1796604359
H             0.3965044208       -1.9917813529        0.2434247230
H             0.1556829168       -3.3336688536       -0.5106389435
O            -2.3746919872       -2.0706739277        1.5696851111
H            -2.3695656370       -2.6304126437        2.3461740580
H            -1.7095752167       -2.4484726272        0.9694632494
O            -1.3545316176        0.4572414629        1.3939255069
H            -1.7793449067        1.1545633949        1.8921221275
H            -1.8340295576       -0.3651392476        1.6054696358
O             1.2753369604       -0.7329346926        1.0049243075
H             0.5599040230       -0.1749811886        1.3356348698
H             1.6454388550       -0.2279991819        0.2642900010
O            -0.9887378564        0.0061384942       -1.4742194823
H            -0.9238090997       -0.9474854137       -1.3441288291
H            -1.2568218807        0.3285694961       -0.6042174679
    18
 Energy=    -45.6575053823509
O             1.7297636024        0.5021827398       -1.4598200421
H             2.0211429131        1.3403660771       -1.8159333639
H             0.7704596607        0.4552885640       -1.6234270131
O            -0.2918954272       -2.5555273255       -0.1796604351
H             0.3965044264       -1.9917813429        0.2434247213
H             0.1556829811       -3.3336688025       -0.5106390256
O            -2.3746919658       -2.0706739084        1.5696850968
H            -2.3695657028       -2.6304126324        2.3461740422
H            -1.7095751823       -2.4484726383        0.9694632679
O            -1.3545316272        0.4572414731        1.3939255391
H            -1.7793448844        1.1545634187        1.8921221658
H            -1.8340295677       -0.3651392330        1.6054696819
O             1.2753369047       -0.7329346791        1.0049243169
H             0.5599039102       -0.1749812340        1.3356348516
H             1.6454387857       -0.2279991509        0.2642900181
O            -0.9887378298        0.0061384744       -1.4742194311
H            -0.9238091016       -0.9474854390       -1.3441288059
H            -1.2568218384        0.3285694625       -0.6042174080
    18
 Energy=    -45.6568570451123
O             1.7320972450        0.5057791693       -1.4624901935
H             2.0232714682        1.3427660546       -1.8216831028
H             0.7728924137        0.4574015551       -1.6260602625
O            -0.2935544168       -2.5551718872       -0.1775312181
H             0.3955929187       -1.9907830937        0.2433103878
H             0.1527405264       -3.3354282527       -0.5053034416
O            -2.3779130321       -2.0721162159        1.5702537502
H            -2.3765397119       -2.6338216473        2.3453679709
H            -1.7118288253       -2.4495401656        0.9708716010
O            -1.3548048520        0.4540118304        1.3962185283
H            -1.7797561218        1.1523407373        1.8928651325
H            -1.8346616562       -0.3678821652        1.6087451906
O             1.2773961266       -0.7307125448        1.0025544720
H             0.5624512442       -0.1734034679        1.3352361057
H             1.6467551708       -0.2246462261        0.2623757119
O            -0.9863029926        0.0062880507       -1.4738027053
H            -0.9216266493       -0.9473969339       -1.3442690434
H            -1.2549788027        0.3275890277       -0.6035907046
    18
 Energy=    -45.6555731887647
O             1.7301282807        0.5096530779       -1.4622714975
H             2.0239174037        1.3420926004       -1.8295529269
H             0.7705823073        0.4626456149       -1.6242878819
O            -0.2930087673       -2.5530121770       -0.1735726638
H             0.3970052916       -1.9883380365        0.2459090037
H             0.1529459164       -3.3347035806       -0.4982144837
O            -2.3831150368       -2.0731354094        1.5695919430
H            -2.3854278783       -2.6382936253        2.3421464889
H            -1.7140744332       -2.4481747001        0.9719273468
O            -1.3513555628        0.4507048399        1.3966079580
H            -1.7761209167        1.1498549989        1.8923072325
H            -1.8338393095       -0.3699541752        1.6082945130
O             1.2797746136       -0.7302059641        1.0012019830
H             0.5638558650       -0.1735175599        1.3330684987
H             1.6489682614       -0.2244654083        0.2606877477
O            -0.9860749681        0.0066418983       -1.4728463829
H            -0.9196876802       -0.9473523780       -1.3469576089
H            -1.2532433333        0.3248338080       -0.6009710920
    18
 Energy=    -45.6543973567517
O             1.7276304516        0.5116077913       -1.4639534866
H             2.0209701900        1.3428288228       -1.8343870283
H             0.7680708917        0.4639081915       -1.6257274920
O            -0.2906810419       -2.5545263783       -0.1681074161
H             0.3987610446       -1.9882478134        0.2499140130
H             0.1563318028       -3.3351306080       -0.4941057353
O            -2.3854407957       -2.0732846804        1.5640852097
H            -2.3972527313       -2.6402699762        2.3355264978
H            -1.7136141639       -2.4497689875        0.9706032443
O            -1.3489551671        0.4505256409        1.3972962126
H            -1.7706075981        1.1503366640        1.8947094728
H            -1.8326426134       -0.3692704878        1.6088844140
O             1.2830227842       -0.7291626750        1.0023772255
H             0.5662374120       -0.1724517065        1.3320447988
H             1.6514111494       -0.2251732117        0.2604869776
O            -0.9874960103        0.0066907733       -1.4713282576
H            -0.9205540819       -0.9473367194       -1.3462927981
H            -1.2539614677        0.3239991842       -0.5989576728
    18
 Energy=    -45.6526619019719
O             1.7268386379        0.5138432348       -1.4639955785
H             2.0204773307        1.3435045772       -1.8377323129
H             0.7676538933        0.4651894627       -1.6273425475
O            -0.2901088039       -2.5562320453       -0.1657308970
H             0.3982390760       -1.9896407531        0.2534914838
H             0.1581007423       -3.3360930254       -0.4918285641
O            -2.3857910947       -2.0734054003        1.5632974463
H            -2.4002991993       -2.6400157838        2.3350252143
H            -1.7151584646       -2.4525653491        0.9701831397
O            -1.3489626940        0.4491051565        1.3950500074
H            -1.7677702104        1.1489296763        1.8946555118
H            -1.8329328374       -0.3701755186        1.6073120577
O             1.2850289308       -0.7292296584        1.0038302084
H             0.5679166549       -0.1718270791        1.3319082678
H             1.6544081477       -0.2260443338        0.2618790214
O            -0.9894673787        0.0091862448       -1.4714781581
H            -0.9221334272       -0.9449412522       -1.3470844799
H            -1.2548092502        0.3256856713       -0.5983716422
    18
 Energy=    -45.6512830222689
O             1.7271211541        0.5149585757       -1.4632040235
H             2.0215863962        1.3435206200       -1.8385989829
H             0.7682292629        0.4663369646       -1.6276158276
O            -0.2919905498       -2.5558132617       -0.1664281763
H             0.3962129548       -1.9903702994        0.2544187941
H             0.1562764249       -3.3360114725       -0.4915833647
O            -2.3849129108       -2.0732964929        1.5652567433
H            -2.3950196498       -2.6369420762        2.3387279327
H            -1.7152398019       -2.4537545129        0.9714292515
O            -1.3503514560        0.4472691186        1.3924516186
H            -1.7690969771        1.1459429567        1.8937518870
H            -1.8342928356       -0.3728262836        1.6032495781
O             1.2850904422       -0.7304745894        1.0049843890
H             0.5682359638       -0.1719883648        1.3324600495
H             1.6554940432       -0.2272672235        0.2632626243
O            -0.9898597950        0.0114660937       -1.4723278909
H            -0.9219746967       -0.9426599997       -1.3486208732
H            -1.2542779153        0.3271840730       -0.5985455514
    18
 Energy=    -45.6498608127229
O             1.7263397954        0.5156876765       -1.4644490985
H             2.0197408979        1.3441069747       -1.8411290999
H             0.7669267466        0.4665310566       -1.6269942448
O            -0.2897713609       -2.5566088206       -0.1655361622
H             0.3984648309       -1.9916605847        0.2563576995
H             0.1586063695       -3.3374653988       -0.4889577427
O            -2.3869630015       -2.0726533722        1.5620474033
H            -2.4012468283       -2.6358929557        2.3363084802
H            -1.7149321504       -2.4542369972        0.9708652417
O            -1.3487604740        0.4463045023        1.3929451805
H            -1.7665370017        1.1448587297        1.8955068439
H            -1.8342520796       -0.3734994734        1.6019778248
O             1.2864391890       -0.7295487853        1.0045905528
H             0.5707876392       -0.1715377906        1.3335709577
H             1.6567211894       -0.2264857046        0.2636730745
O            -0.9911754926        0.0111438251       -1.4720345645
H            -0.9244131749       -0.9426570592       -1.3468198983
H            -1.2547450401        0.3288880019       -0.5988542680
    18
 Energy=    -45.6454009626021
O             1.7212210139        0.5164497362       -1.4706302289
H             2.0095972737        1.3458792403       -1.8487053406
H             0.7611662467        0.4643913937       -1.6264615814
O            -0.2794360470       -2.5595747159       -0.1596350837
H             0.4079165269       -1.9931083694        0.2615017707
H             0.1694492303       -3.3415318132       -0.4798261191
O            -2.3933885436       -2.0682480435        1.5464322372
H            -2.4346313127       -2.6369899003        2.3153610203
H            -1.7125669841       -2.4527846280        0.9679570932
O            -1.3415565275        0.4465743935        1.3988872612
H            -1.7546351197        1.1448214558        1.9053009034
H            -1.8310741346       -0.3712808896        1.6046418862
O             1.2926809031       -0.7259182088        1.0030200000
H             0.5784488003       -0.1683064898        1.3366697566
H             1.6594847690       -0.2216649048        0.2607447390
O            -0.9957770593        0.0052005790       -1.4680978430
H            -0.9291608216       -0.9476530547       -1.3372909275
H            -1.2565081590        0.3290180426       -0.5968013647
    18
 Energy=    -45.6436469978613
O             1.7201521346        0.5165259288       -1.4719460665
H             2.0072206629        1.3463115746       -1.8504155182
H             0.7598351804        0.4638146669       -1.6263896676
O            -0.2768177174       -2.5604381149       -0.1581580045
H             0.4102057814       -1.9933561865        0.2626326988
H             0.1721598399       -3.3425850459       -0.4777771044
O            -2.3950648316       -2.0672325496        1.5428931676
H            -2.4422749687       -2.6374160003        2.3105554301
H            -1.7125630156       -2.4523591622        0.9668338202
O            -1.3397658019        0.4467220801        1.4004327070
H            -1.7518790646        1.1449611779        1.9075595028
H            -1.8302190366       -0.3705944656        1.6054482116
O             1.2942652312       -0.7249040679        1.0026202161
H             0.5801584961       -0.1676803900        1.3372440815
H             1.6600867815       -0.2204060312        0.2600376240
O            -0.9968738705        0.0038260080       -1.4672166169
H            -0.9303592024       -0.9489201752       -1.3350042942
H            -1.2570365439        0.3290045781       -0.5962820091
    18
 Energy=    -45.6337521357323
O             1.7183896489        0.5191889570       -1.4708743335
H             2.0033485888        1.3463211444       -1.8554479852
H             0.7593947051        0.4627083559       -1.6251997515
O            -0.2726057163       -2.5657438666       -0.1538153967
H             0.4146966994       -1.9938611858        0.2571898897
H             0.1773387696       -3.3475431833       -0.4726361426
O            -2.4000771924       -2.0639399073        1.5403637325
H            -2.4501376735       -2.6341325475        2.3078213561
H            -1.7166265684       -2.4511386910        0.9677629535
O            -1.3354479391        0.4451021970        1.4001427230
H            -1.7510407411        1.1389510403        1.9116756923
H            -1.8280312501       -0.3740646823        1.5972134152
O             1.3016955657       -0.7221496222        1.0059405269
H             0.5838664716       -0.1694432561        1.3395769897
H             1.6604579219       -0.2183768028        0.2598191454
O            -0.9984602900        0.0053000249       -1.4675606683
H            -0.9361295262       -0.9475421393       -1.3308419982
H            -1.2594014192        0.3356379889       -0.5980619682
    18
 Energy=    -45.6300632570480
O             1.7145126603        0.5199342716       -1.4704461624
H             1.9966023405        1.3463537588       -1.8599120004
H             0.7548215304        0.4587554538       -1.6272720600
O            -0.2680395695       -2.5660392195       -0.1486766063
H             0.4220130389       -1.9926553847        0.2583424866
H             0.1812853874       -3.3490379638       -0.4658756111
O            -2.4050414392       -2.0598721664        1.5299208997
H            -2.4646807137       -2.6289534924        2.2970797295
H            -1.7173432614       -2.4502164774        0.9641567637
O            -1.3316088594        0.4452428893        1.4042097812
H            -1.7478166444        1.1350466094        1.9201060134
H            -1.8241533265       -0.3749355446        1.5936393399
O             1.3077219685       -0.7206828052        1.0042268475
H             0.5879435908       -0.1717420220        1.3405645928
H             1.6621236916       -0.2130154727        0.2579144154
O            -1.0004753754        0.0019555967       -1.4641511216
H            -0.9367144960       -0.9500211825       -1.3250882486
H            -1.2599204683        0.3351569770       -0.5956708812
    18
 Energy=    -45.6255533784475
O             1.7111548921        0.5204480577       -1.4706491659
H             1.9917901195        1.3461514160       -1.8626210394
H             0.7519509310        0.4558354095       -1.6289066827
O            -0.2641550876       -2.5655839937       -0.1451669688
H             0.4268679538       -1.9920239968        0.2600417326
H             0.1839057811       -3.3496415578       -0.4612525410
O            -2.4080677407       -2.0572973645        1.5221182420
H            -2.4762171153       -2.6260213453        2.2885836687
H            -1.7171766140       -2.4497926284        0.9615436482
O            -1.3288116306        0.4460073837        1.4069124002
H            -1.7451811104        1.1332737391        1.9262095806
H            -1.8214408823       -0.3750918336        1.5927973836
O             1.3111518041       -0.7196782257        1.0019783567
H             0.5908420075       -0.1733003839        1.3410290752
H             1.6634732747       -0.2090674894        0.2567083658
O            -1.0020449543       -0.0008588184       -1.4615027149
H            -0.9367038526       -0.9521121187       -1.3210632216
H            -1.2601077222        0.3340275725       -0.5936919410
    18
 Energy=    -45.6151424842523
O             1.7034116849        0.5199750069       -1.4751158486
H             1.9795220195        1.3466278075       -1.8682128891
H             0.7444504801        0.4498147663       -1.6325236510
O            -0.2537829427       -2.5640035836       -0.1376997777
H             0.4367218544       -1.9900622344        0.2678732881
H             0.1916002539       -3.3502135470       -0.4517691422
O            -2.4138997250       -2.0514158830        1.5019080952
H            -2.5093024241       -2.6236260253        2.2622482919
H            -1.7144765742       -2.4475596559        0.9543277415
O            -1.3221326595        0.4488498159        1.4147934604
H            -1.7349814574        1.1326987330        1.9403287505
H            -1.8159296482       -0.3714166088        1.5983475005
O             1.3170972285       -0.7166555406        0.9960501711
H             0.5976384060       -0.1733055586        1.3419866782
H             1.6664551408       -0.2012889151        0.2526556219
O            -1.0066645422       -0.0097074021       -1.4550906727
H            -0.9344577569       -0.9606062160       -1.3105892610
H            -1.2600392822        0.3271688643       -0.5864501796
    18
 Energy=    -45.6135938362647
O             1.7028778328        0.5199272428       -1.4754962237
H             1.9786528646        1.3466761750       -1.8686086394
H             0.7439579233        0.4494086496       -1.6327484150
O            -0.2530397811       -2.5639008927       -0.1371834811
H             0.4371820183       -1.9898305152        0.2684426822
H             0.1920827697       -3.3502752150       -0.4511614137
O            -2.4145320467       -2.0510083662        1.5003501759
H            -2.5112232270       -2.6232175029        2.2606455814
H            -1.7143101243       -2.4471302624        0.9536247606
O            -1.3217161084        0.4489763697        1.4151841511
H            -1.7343459535        1.1322694657        1.9413284128
H            -1.8155404067       -0.3711359063        1.5987510600
O             1.3175283866       -0.7164463003        0.9956741075
H             0.5981283068       -0.1732569081        1.3421621633
H             1.6666864345       -0.2008467845        0.2523892430
O            -1.0071028408       -0.0102448673       -1.4547279840
H            -0.9341147705       -0.9613151053       -1.3097999995
H            -1.2599412243        0.3266245465       -0.5857580018
    18
 Energy=    -45.6100210698725
O             1.6999018628        0.5192815306       -1.4786543221
H             1.9733306983        1.3471429375       -1.8707044699
H             0.7406725167        0.4475110546       -1.6337759094
O            -0.2489773979       -2.5633858662       -0.1340238489
H             0.4421566530       -1.9897769299        0.2721323045
H             0.1964785178       -3.3499034522       -0.4473165358
O            -2.4157880319       -2.0480022050        1.4922296272
H            -2.5265542084       -2.6249194871        2.2472193260
H            -1.7143472622       -2.4472498528        0.9503736413
O            -1.3178628420        0.4500517143        1.4212357938
H            -1.7283814553        1.1360908417        1.9467812372
H            -1.8146900268       -0.3693165544        1.6020080676
O             1.3200973063       -0.7143014512        0.9942402498
H             0.6007327084       -0.1719111423        1.3415897075
H             1.6670882905       -0.1982663626        0.2499407163
O            -1.0080707468       -0.0150669519       -1.4517350540
H            -0.9338945875       -0.9656651905       -1.3055316656
H            -1.2606619406        0.3229611913       -0.5829406889
    18
 Energy=    -45.6064244879515
O             1.6990941394        0.5190191477       -1.4794606001
H             1.9717900029        1.3472683822       -1.8713597621
H             0.7395714696        0.4470179363       -1.6339708200
O            -0.2480431809       -2.5629545270       -0.1331058718
H             0.4440151772       -1.9899258826        0.2733895759
H             0.1975343415       -3.3495489994       -0.4460015900
O            -2.4164010793       -2.0470075662        1.4893043196
H            -2.5299611741       -2.6249054600        2.2440730242
H            -1.7149280910       -2.4475432291        0.9489345916
O            -1.3166089449        0.4500687341        1.4235603483
H            -1.7267939415        1.1375512185        1.9484642876
H            -1.8147370524       -0.3694297284        1.6022704370
O             1.3208933929       -0.7137332287        0.9938722588
H             0.6015433569       -0.1716749773        1.3412664155
H             1.6671734183       -0.1973810723        0.2492217337
O            -1.0081143160       -0.0167634150       -1.4505358148
H            -0.9340046427       -0.9666420177       -1.3044341465
H            -1.2607928217        0.3218585103       -0.5824202086
    18
 Energy=    -45.5948350612821
O             1.6931543490        0.5168831537       -1.4890913585
H             1.9590691667        1.3491672877       -1.8768013623
H             0.7323125100        0.4439809980       -1.6340871523
O            -0.2407090298       -2.5619312134       -0.1261424631
H             0.4510488259       -1.9880386252        0.2804708699
H             0.2061433860       -3.3482254665       -0.4379000800
O            -2.4201821832       -2.0392493362        1.4701505359
H            -2.5601073864       -2.6249032054        2.2141689557
H            -1.7128240312       -2.4436586539        0.9408043974
O            -1.3082636217        0.4504401838        1.4361887439
H            -1.7142806870        1.1406934762        1.9613920730
H            -1.8145117722       -0.3657212358        1.6077405791
O             1.3284064310       -0.7074997242        0.9944056899
H             0.6075613663       -0.1671311034        1.3415578890
H             1.6664698656       -0.1955763104        0.2426534653
O            -1.0127708572       -0.0283692148       -1.4440676910
H            -0.9294805455       -0.9776800115       -1.2942169565
H            -1.2598057325        0.3120928264       -0.5741579568
    18
 Energy=    -45.5863280526954
O             1.6895933868        0.5154265426       -1.4954084878
H             1.9511689669        1.3505781627       -1.8803474194
H             0.7278229319        0.4423102176       -1.6338330970
O            -0.2363531015       -2.5614144925       -0.1218613408
H             0.4539192380       -1.9861532385        0.2843678097
H             0.2108446093       -3.3475081752       -0.4332149806
O            -2.4230975123       -2.0344383484        1.4580057300
H            -2.5772688577       -2.6236020036        2.1964599411
H            -1.7106037086       -2.4398412033        0.9356496538
O            -1.3032571507        0.4502362220        1.4430127444
H            -1.7070901222        1.1402193624        1.9694512210
H            -1.8146410290       -0.3632479165        1.6107781887
O             1.3332618783       -0.7033309960        0.9954120770
H             0.6114048934       -0.1640465319        1.3424148051
H             1.6657772250       -0.1956066236        0.2386139665
O            -1.0162724655       -0.0358906282       -1.4394005446
H            -0.9256201786       -0.9840003059       -1.2879023796
H            -1.2583589482        0.3055837804       -0.5691297100
    18
 Energy=    -45.5837777814086
O             1.6887273459        0.5150828840       -1.4970131722
H             1.9492404843        1.3509531141       -1.8811958256
H             0.7267912884        0.4418835018       -1.6337999920
O            -0.2351624350       -2.5614611205       -0.1208102990
H             0.4544511501       -1.9856137766        0.2852300268
H             0.2121308066       -3.3474524732       -0.4321764910
O            -2.4236777183       -2.0333803416        1.4553001440
H            -2.5821338434       -2.6236389960        2.1917448663
H            -1.7097010005       -2.4388101453        0.9346345257
O            -1.3020749514        0.4503761967        1.4444501638
H            -1.7052169578        1.1400381297        1.9713418332
H            -1.8145377708       -0.3622704939        1.6119487729
O             1.3344279253       -0.7022533356        0.9956638457
H             0.6122990245       -0.1632132975        1.3426664349
H             1.6656050530       -0.1956829968        0.2375931079
O            -1.0172776914       -0.0376362450       -1.4383937237
H            -0.9246186610       -0.9856504959       -1.2862981384
H            -1.2580419931        0.3040037158       -0.5678178995
    18
 Energy=    -45.5812797173857
O             1.6881469012        0.5148149834       -1.4981363751
H             1.9479032109        1.3512513349       -1.8818840748
H             0.7261038085        0.4416320427       -1.6336402567
O            -0.2344311893       -2.5613500071       -0.1201108957
H             0.4541132913       -1.9848873252        0.2857616249
H             0.2125119178       -3.3474601782       -0.4315372888
O            -2.4247220502       -2.0326786851        1.4529702177
H            -2.5839417622       -2.6223685094        2.1896154475
H            -1.7089185835       -2.4372806910        0.9334145595
O            -1.3014306804        0.4501351568        1.4448592232
H            -1.7044824121        1.1382943311        1.9727742379
H            -1.8145156636       -0.3618276072        1.6122282601
O             1.3353589048       -0.7015536391        0.9959544484
H             0.6129940451       -0.1627171122        1.3432474475
H             1.6655282012       -0.1960796567        0.2370190183
O            -1.0183312994       -0.0387639988       -1.4375570107
H            -0.9233351562       -0.9866330934       -1.2851408355
H            -1.2573214290        0.3027464795       -0.5667695684
    18
 Energy=    -45.5787312684669
O             1.6877507523        0.5147059653       -1.4988178210
H             1.9471087284        1.3513888514       -1.8822475389
H             0.7256134747        0.4414586453       -1.6337016150
O            -0.2339805178       -2.5612884763       -0.1196861352
H             0.4538631556       -1.9844210717        0.2860837969
H             0.2128122800       -3.3475555610       -0.4312287529
O            -2.4254426442       -2.0322445473        1.4516804263
H            -2.5849115295       -2.6216003082        2.1883530202
H            -1.7085136765       -2.4361986070        0.9325873425
O            -1.3010517870        0.4499166608        1.4450999799
H            -1.7040045617        1.1371037273        1.9735789994
H            -1.8144974174       -0.3614827744        1.6123521187
O             1.3359320584       -0.7012144307        0.9959906435
H             0.6133624293       -0.1622081424        1.3437186721
H             1.6655123174       -0.1963898743        0.2367985036
O            -1.0187198949       -0.0392478162       -1.4369907087
H            -0.9225832295       -0.9873825317       -1.2844177905
H            -1.2570198846        0.3019341147       -0.5660849599
    18
 Energy=    -45.5753810251264
O             1.6846500352        0.5139899617       -1.5020023115
H             1.9433491154        1.3521566468       -1.8835539008
H             0.7226592757        0.4401927177       -1.6361228029
O            -0.2314221663       -2.5621972218       -0.1177464536
H             0.4550575067       -1.9836019260        0.2885017374
H             0.2167612218       -3.3473569866       -0.4293824154
O            -2.4293472394       -2.0287958883        1.4462860603
H            -2.5894667078       -2.6207486272        2.1803946288
H            -1.7114635098       -2.4310591348        0.9269585597
O            -1.2978196547        0.4486452138        1.4486687404
H            -1.6997937858        1.1358491539        1.9773664530
H            -1.8149970922       -0.3611268316        1.6128499561
O             1.3362734741       -0.6996239786        0.9967035450
H             0.6167781756       -0.1587024200        1.3448345205
H             1.6664045763       -0.1963068528        0.2355603478
O            -1.0166828508       -0.0428538197       -1.4328891132
H            -0.9211561921       -0.9908306561       -1.2811529440
H            -1.2585541278        0.2976444743       -0.5622064296
    18
 Energy=    -45.5721807280662
O             1.6827956553        0.5137275605       -1.5040942880
H             1.9408802269        1.3524537289       -1.8842542576
H             0.7205298050        0.4393278959       -1.6378857449
O            -0.2297252987       -2.5626288325       -0.1163798654
H             0.4559835354       -1.9833034487        0.2900681826
H             0.2196166363       -3.3473318782       -0.4282240356
O            -2.4318059775       -2.0264650963        1.4429138002
H            -2.5925686129       -2.6205689191        2.1750146134
H            -1.7137136912       -2.4278676325        0.9233111182
O            -1.2956158703        0.4476959441        1.4511638566
H            -1.6969293260        1.1356666745        1.9798426525
H            -1.8153247299       -0.3609223926        1.6131898658
O             1.3370334870       -0.6986911982        0.9964350561
H             0.6185650327       -0.1559569738        1.3456819276
H             1.6668230308       -0.1964177296        0.2352161065
O            -1.0151283611       -0.0448890019       -1.4298323555
H            -0.9204544441       -0.9932991574       -1.2790517998
H            -1.2597310432        0.2947442812       -0.5600466541
    18
 Energy=    -45.5696583736249
O             1.6817068633        0.5135867510       -1.5051795716
H             1.9395849895        1.3525981866       -1.8845587023
H             0.7193387933        0.4388519272       -1.6389901673
O            -0.2288541152       -2.5629764814       -0.1156808364
H             0.4569971143       -1.9833746522        0.2909380474
H             0.2214262808       -3.3472158597       -0.4275399795
O            -2.4327954467       -2.0251741483        1.4413860441
H            -2.5950235910       -2.6212301362        2.1715208122
H            -1.7150107231       -2.4266327156        0.9216801423
O            -1.2943361829        0.4473504856        1.4529668751
H            -1.6950219938        1.1366308222        1.9810659046
H            -1.8155301077       -0.3608283677        1.6135182524
O             1.3371267716       -0.6982063854        0.9963841248
H             0.6196258606       -0.1544326645        1.3458507283
H             1.6670643548       -0.1962257720        0.2348939909
O            -1.0137973954       -0.0460991789       -1.4282555784
H            -0.9204990724       -0.9946569674       -1.2780021626
H            -1.2607723465        0.2933089807       -0.5589297448
    18
 Energy=    -45.5682518146015
O             1.6813454142        0.5136059666       -1.5057009916
H             1.9389777659        1.3526003494       -1.8846341297
H             0.7187961854        0.4386061571       -1.6395234074
O            -0.2284093488       -2.5632859565       -0.1153465387
H             0.4575739529       -1.9834995426        0.2912897473
H             0.2224738049       -3.3471646682       -0.4272366102
O            -2.4331638114       -2.0246358053        1.4407373148
H            -2.5967235235       -2.6220444008        2.1695892086
H            -1.7155241047       -2.4262317547        0.9212143543
O            -1.2937530474        0.4473396080        1.4537259201
H            -1.6939991861        1.1376200544        1.9816209057
H            -1.8154741910       -0.3606678200        1.6140706186
O             1.3371908613       -0.6979599689        0.9962735416
H             0.6200450641       -0.1536937406        1.3458369662
H             1.6671410346       -0.1960751601        0.2347460311
O            -1.0133260968       -0.0466978632       -1.4275773738
H            -0.9206198311       -0.9952496142       -1.2775253600
H            -1.2613208877        0.2927079823       -0.5584920187
    18
 Energy=    -45.5647555273551
O             1.6802933075        0.5131205875       -1.5079191045
H             1.9365432364        1.3534987253       -1.8851027520
H             0.7179366836        0.4372684181       -1.6416207001
O            -0.2256058039       -2.5664493256       -0.1137719734
H             0.4587687105       -1.9842274488        0.2917171236
H             0.2290172169       -3.3475583169       -0.4264966083
O            -2.4342151042       -2.0234084902        1.4389813995
H            -2.6106441048       -2.6298780748        2.1578211277
H            -1.7147437858       -2.4242041387        0.9226281949
O            -1.2932981031        0.4503920941        1.4544396945
H            -1.6880492444        1.1430994533        1.9832239053
H            -1.8123044231       -0.3578576850        1.6217319979
O             1.3374454079       -0.6965317356        0.9954690042
H             0.6215291739       -0.1506960011        1.3455267484
H             1.6674042725       -0.1951609511        0.2338990289
O            -1.0154185246       -0.0493672571       -1.4258468205
H            -0.9203487430       -0.9973548278       -1.2750594475
H            -1.2630801205        0.2905887998       -0.5565526401
    18
 Energy=    -45.5610160522875
O             1.6801072654        0.5128807988       -1.5092133581
H             1.9352303213        1.3540621028       -1.8853507006
H             0.7178546832        0.4364132009       -1.6425674747
O            -0.2234584242       -2.5684954867       -0.1127046951
H             0.4587073070       -1.9845447092        0.2919126689
H             0.2330311946       -3.3481849520       -0.4263421543
O            -2.4353419945       -2.0231285588        1.4379903736
H            -2.6185779752       -2.6344678830        2.1516330636
H            -1.7143928093       -2.4226019415        0.9229006672
O            -1.2932885266        0.4524215668        1.4540349154
H            -1.6848261570        1.1454062157        1.9839410091
H            -1.8099623362       -0.3553558855        1.6272060767
O             1.3376741390       -0.6954192682        0.9951603909
H             0.6222970636       -0.1494432370        1.3452875859
H             1.6677442001       -0.1945074735        0.2332532375
O            -1.0180583233       -0.0506965135       -1.4250358277
H            -0.9198717390       -0.9984212000       -1.2735190913
H            -1.2636378355        0.2893570467       -0.5555185080
    18
 Energy=    -45.5571792880583
O             1.6801715243        0.5128448631       -1.5098404553
H             1.9346226067        1.3542322764       -1.8854370284
H             0.7178557783        0.4360045679       -1.6429152720
O            -0.2224126325       -2.5692210435       -0.1121476359
H             0.4585224433       -1.9848650898        0.2921249191
H             0.2349210240       -3.3484682464       -0.4262293880
O            -2.4362058834       -2.0229007378        1.4375356911
H            -2.6211467455       -2.6360385295        2.1493425063
H            -1.7150204986       -2.4216660508        0.9222269203
O            -1.2934161088        0.4530436185        1.4540776728
H            -1.6834838638        1.1461021301        1.9842500149
H            -1.8088792595       -0.3543297112        1.6292946399
O             1.3378326956       -0.6948359988        0.9951736122
H             0.6227239747       -0.1490909826        1.3450931335
H             1.6680125666       -0.1940652046        0.2329147180
O            -1.0195165374       -0.0512097138       -1.4245663468
H            -0.9195749241       -0.9989847129       -1.2728092522
H            -1.2637761053        0.2887223906       -0.5550202714
    18
 Energy=    -45.5551942557483
O             1.6802767393        0.5124221668       -1.5108615015
H             1.9336690564        1.3548096454       -1.8857133654
H             0.7180782088        0.4352212218       -1.6433170162
O            -0.2212891893       -2.5710344472       -0.1116503441
H             0.4593403699       -1.9850476961        0.2937697993
H             0.2386238920       -3.3489942212       -0.4258546593
O            -2.4379641380       -2.0222750851        1.4374179500
H            -2.6233937518       -2.6377816551        2.1461048262
H            -1.7191724818       -2.4199940789        0.9183453955
O            -1.2920515036        0.4539521178        1.4542421897
H            -1.6817774442        1.1474265703        1.9852940763
H            -1.8081504139       -0.3534475492        1.6325014306
O             1.3392098514       -0.6936477187        0.9948746363
H             0.6229010421       -0.1485625970        1.3446015214
H             1.6686740685       -0.1928956288        0.2324377913
O            -1.0222073602       -0.0526290068       -1.4239766627
H            -0.9193351672       -0.9998299167       -1.2715729503
H            -1.2642017256        0.2875817024       -0.5535749384
    18
 Energy=    -45.5537628091859
O             1.6805251035        0.5122703906       -1.5111115165
H             1.9334491085        1.3548804248       -1.8858570879
H             0.7183414587        0.4349981730       -1.6431433040
O            -0.2212216102       -2.5709459701       -0.1114970454
H             0.4590092038       -1.9854590598        0.2948117870
H             0.2393346710       -3.3487289584       -0.4254389055
O            -2.4408559652       -2.0212712521        1.4362262501
H            -2.6172617683       -2.6350196643        2.1485812375
H            -1.7241479485       -2.4182864936        0.9138522661
O            -1.2919134200        0.4526961121        1.4547722315
H            -1.6823553341        1.1457115388        1.9858447555
H            -1.8083326318       -0.3549227211        1.6310245481
O             1.3400942037       -0.6933155755        0.9951231827
H             0.6232424408       -0.1489410724        1.3445798204
H             1.6692377920       -0.1923767138        0.2325994389
O            -1.0235142226       -0.0529476047       -1.4234764488
H            -0.9186559693       -1.0000375955       -1.2712467618
H            -1.2637450561        0.2869698666       -0.5525762684
    18
 Energy=    -45.5439898543182
O             1.6811312922        0.5118082429       -1.5120870221
H             1.9327068669        1.3552452207       -1.8859808542
H             0.7189175015        0.4340498984       -1.6428235293
O            -0.2186728054       -2.5719995749       -0.1104747929
H             0.4612868755       -1.9871687429        0.2984209619
H             0.2436640937       -3.3487899605       -0.4243620801
O            -2.4454924607       -2.0193999836        1.4357649677
H            -2.6113605470       -2.6347065639        2.1484171305
H            -1.7370959533       -2.4184760214        0.9032980627
O            -1.2889487442        0.4520111554        1.4590457761
H            -1.6808441446        1.1473860877        1.9862875509
H            -1.8093155586       -0.3540227754        1.6323171344
O             1.3429420053       -0.6910126164        0.9949464074
H             0.6228828017       -0.1496669212        1.3425459916
H             1.6704407756       -0.1896975467        0.2318007511
O            -1.0261690749       -0.0544028935       -1.4224809649
H            -0.9200656293       -1.0015039482       -1.2701835421
H            -1.2647772400        0.2856207683       -0.5513837701
    18
 Energy=    -45.5283501438220
O             1.6809598445        0.5116789337       -1.5132187178
H             1.9318951137        1.3557824981       -1.8854973978
H             0.7187079705        0.4330062772       -1.6434505615
O            -0.2120731158       -2.5752759109       -0.1083994732
H             0.4670389614       -1.9890873861        0.2994868192
H             0.2500990154       -3.3504104418       -0.4244010603
O            -2.4404665719       -2.0219180460        1.4403783896
H            -2.6372945087       -2.6514474949        2.1323986481
H            -1.7341425384       -2.4273992378        0.9070192364
O            -1.2843953761        0.4584506268        1.4650190696
H            -1.6728754456        1.1615380564        1.9840763344
H            -1.8087071474       -0.3425027192        1.6456760942
O             1.3437859712       -0.6875442215        0.9930375389
H             0.6206419680       -0.1486387986        1.3383225845
H             1.6697874040       -0.1869693938        0.2290476706
O            -1.0255760131       -0.0562692879       -1.4230090056
H            -0.9265410178       -1.0036606136       -1.2692524913
H            -1.2696144601        0.2859409850       -0.5541655009
    18
 Energy=    -45.5242655449400
O             1.6809000684        0.5116524726       -1.5133416633
H             1.9318044642        1.3558525324       -1.8854083462
H             0.7186482497        0.4328353819       -1.6435503341
O            -0.2111111202       -2.5756409704       -0.1078750791
H             0.4681081577       -1.9894247757        0.2997176830
H             0.2511867594       -3.3507921177       -0.4244761636
O            -2.4400980337       -2.0226472954        1.4401992800
H            -2.6410857810       -2.6540173391        2.1311965031
H            -1.7337497566       -2.4284333248        0.9068143533
O            -1.2834848969        0.4593667004        1.4662483246
H            -1.6716452471        1.1639110734        1.9836757403
H            -1.8087603256       -0.3408542278        1.6476948246
O             1.3439543675       -0.6869846284        0.9927491897
H             0.6202631617       -0.1484624161        1.3376225295
H             1.6697187398       -0.1865128154        0.2286128766
O            -1.0252197535       -0.0566251535       -1.4230736636
H            -0.9277224554       -1.0039907738       -1.2691489433
H            -1.2704765443        0.2860415030       -0.5545889345
    18
 Energy=    -45.5209501582208
O             1.6806357420        0.5116048201       -1.5135142368
H             1.9316996479        1.3560800214       -1.8853219862
H             0.7185265703        0.4327954402       -1.6438564092
O            -0.2104329762       -2.5759930310       -0.1077599271
H             0.4688625819       -1.9898730076        0.2988703911
H             0.2524448869       -3.3513300860       -0.4247110165
O            -2.4347513991       -2.0239482572        1.4437397549
H            -2.6535094137       -2.6596420684        2.1245691410
H            -1.7283725766       -2.4303247585        0.9116312664
O            -1.2836407034        0.4615923452        1.4664559328
H            -1.6695130528        1.1682293416        1.9832523368
H            -1.8078206877       -0.3382150157        1.6508040049
O             1.3434348138       -0.6866897143        0.9922328731
H             0.6197474056       -0.1480094562        1.3369266782
H             1.6691406204       -0.1863396752        0.2280084229
O            -1.0248719234       -0.0570046102       -1.4235231158
H            -0.9288434171       -1.0042009672       -1.2691934179
H            -1.2715060638        0.2865425044       -0.5555425145
    18
 Energy=    -45.5174730484512
O             1.6805446320        0.5115803656       -1.5135693736
H             1.9316699004        1.3561454450       -1.8852854967
H             0.7184842449        0.4327551294       -1.6439488121
O            -0.2101510255       -2.5760282325       -0.1076065965
H             0.4692271811       -1.9901372810        0.2987339871
H             0.2529832171       -3.3515194662       -0.4247559348
O            -2.4327484705       -2.0243097402        1.4444839148
H            -2.6574354014       -2.6615756629        2.1230637026
H            -1.7273498286       -2.4307031591        0.9125182250
O            -1.2835870873        0.4621945732        1.4668799826
H            -1.6687806020        1.1697109812        1.9830812387
H            -1.8076217758       -0.3374229526        1.6516510657
O             1.3433733002       -0.6865194944        0.9920609942
H             0.6195500975       -0.1479045713        1.3366104581
H             1.6690133840       -0.1861741816        0.2277959623
O            -1.0246723022       -0.0571881163       -1.4236086094
H            -0.9293381756       -1.0043185172       -1.2692172662
H            -1.2719312340        0.2866887062       -0.5558192629
    18
 Energy=    -45.5122532349032
O             1.6801833115        0.5114048919       -1.5136159037
H             1.9316600389        1.3564552989       -1.8852907009
H             0.7184776580        0.4327472688       -1.6441718870
O            -0.2094665611       -2.5769453492       -0.1078679368
H             0.4698576677       -1.9900121867        0.2981902696
H             0.2533428721       -3.3515617935       -0.4248186813
O            -2.4283293135       -2.0244008956        1.4469346989
H            -2.6656881529       -2.6658529724        2.1176664893
H            -1.7243665691       -2.4326856746        0.9169422407
O            -1.2835705970        0.4634696537        1.4665462454
H            -1.6675060382        1.1724539344        1.9828859938
H            -1.8069780892       -0.3350127733        1.6541090746
O             1.3428388504       -0.6863245141        0.9917462484
H             0.6192333789       -0.1475717821        1.3362134233
H             1.6686165105       -0.1861498228        0.2273373199
O            -1.0244871453       -0.0568620894       -1.4237351992
H            -0.9300679004       -1.0047371678       -1.2691477264
H            -1.2725198669        0.2868597975       -0.5568557893
    18
 Energy=    -45.4877932062468
O             1.6801058356        0.5121387976       -1.5141879988
H             1.9312322742        1.3564200229       -1.8848266303
H             0.7176642166        0.4328466895       -1.6451404849
O            -0.2077166791       -2.5794128245       -0.1087147193
H             0.4711235788       -1.9887556741        0.2948981997
H             0.2543621101       -3.3529733972       -0.4259078459
O            -2.4153563224       -2.0248087082        1.4567227500
H            -2.6952656090       -2.6810610919        2.0941611218
H            -1.7086485559       -2.4419658385        0.9386552055
O            -1.2842754960        0.4714886198        1.4635621324
H            -1.6623185114        1.1802959697        1.9811929464
H            -1.8044796308       -0.3263764119        1.6651559973
O             1.3402172127       -0.6862703646        0.9904946042
H             0.6181465694       -0.1457717264        1.3355891124
H             1.6666725093       -0.1870430818        0.2258187674
O            -1.0239588029       -0.0567051661       -1.4255092809
H            -0.9319905054       -1.0047542104       -1.2689211283
H            -1.2742841390        0.2879822184       -0.5599745717
    18
 Energy=    -45.4746580217316
O             1.6801204978        0.5123201412       -1.5142718877
H             1.9311278340        1.3564013520       -1.8847163605
H             0.7175019295        0.4328327069       -1.6453285612
O            -0.2071301408       -2.5802038245       -0.1085760682
H             0.4716194320       -1.9882978050        0.2940584602
H             0.2545463411       -3.3533322670       -0.4262644730
O            -2.4157079446       -2.0249977617        1.4562456233
H            -2.6995955183       -2.6842743691        2.0905771637
H            -1.7048805946       -2.4443373164        0.9434431261
O            -1.2842130500        0.4732431609        1.4629528336
H            -1.6611030443        1.1820920364        1.9806497056
H            -1.8038545567       -0.3242342604        1.6684882979
O             1.3395684730       -0.6862284859        0.9902711866
H             0.6179834063       -0.1451759966        1.3355210481
H             1.6662246372       -0.1873865392        0.2254524585
O            -1.0238012228       -0.0566290830       -1.4259267077
H            -0.9325280272       -1.0047510408       -1.2687696569
H            -1.2746483983        0.2882331758       -0.5607380106
    18
 Energy=    -45.4662719036845
O             1.6796368080        0.5119501681       -1.5142160041
H             1.9311822425        1.3569034534       -1.8848422258
H             0.7176260140        0.4329082588       -1.6455043429
O            -0.2071769825       -2.5795717491       -0.1083249566
H             0.4716220475       -1.9880048146        0.2931676537
H             0.2552438634       -3.3547347869       -0.4269774539
O            -2.4132731450       -2.0252079287        1.4591361231
H            -2.7056702954       -2.6871755929        2.0844686211
H            -1.7011267678       -2.4468246085        0.9487658842
O            -1.2843689262        0.4740344697        1.4616459647
H            -1.6603543157        1.1840943773        1.9807113347
H            -1.8029669949       -0.3216192892        1.6709800497
O             1.3389079485       -0.6863285580        0.9899960600
H             0.6177139333       -0.1447288984        1.3354866719
H             1.6657879720       -0.1876424874        0.2250874403
O            -1.0235954858       -0.0570588063       -1.4266357324
H            -0.9328993015       -1.0043168099       -1.2687584274
H            -1.2750585608        0.2885974268       -0.5611184813
    18
 Energy=    -45.4558065727996
O             1.6794396035        0.5117157943       -1.5140811045
H             1.9312383950        1.3571326995       -1.8849264873
H             0.7177805785        0.4328611095       -1.6454648226
O            -0.2070691503       -2.5793249499       -0.1075977541
H             0.4719429688       -1.9879252006        0.2930030347
H             0.2555946572       -3.3552850619       -0.4273110303
O            -2.4168790145       -2.0253340778        1.4555691291
H            -2.7034247331       -2.6873952637        2.0865300106
H            -1.7009386154       -2.4471832642        0.9487928907
O            -1.2840246918        0.4735868960        1.4617608033
H            -1.6602756600        1.1847155436        1.9806512470
H            -1.8027611944       -0.3210300992        1.6721507175
O             1.3388431586       -0.6862703018        0.9900365870
H             0.6177526062       -0.1444527120        1.3355065875
H             1.6657749707       -0.1877562851        0.2249919320
O            -1.0234084392       -0.0572711901       -1.4267696092
H            -0.9331868850       -1.0041905899       -1.2686642330
H            -1.2751685021        0.2886807776       -0.5611097207
    18
 Energy=    -45.4239686351354
O             1.6793350339        0.5121082250       -1.5145565726
H             1.9308969891        1.3572704095       -1.8847293314
H             0.7173862535        0.4332087770       -1.6461642879
O            -0.2076819149       -2.5805978275       -0.1091758040
H             0.4713070441       -1.9889629051        0.2891188059
H             0.2566592011       -3.3546927833       -0.4274151671
O            -2.4043425381       -2.0304233531        1.4671446715
H            -2.7357172062       -2.6979077414        2.0693253755
H            -1.6785243552       -2.4488346167        0.9648321908
O            -1.2877358188        0.4799464724        1.4591242504
H            -1.6560229623        1.1933253585        1.9801712906
H            -1.7990884757       -0.3188588238        1.6769887624
O             1.3366605139       -0.6869570066        0.9891657810
H             0.6173229973       -0.1433462153        1.3351530071
H             1.6637678401       -0.1886064454        0.2243595165
O            -1.0240545548       -0.0574053110       -1.4280144029
H            -0.9330822585       -1.0042649346       -1.2691253604
H            -1.2758557363        0.2902725455       -0.5631345466
    18
 Energy=    -45.3851222026251
O             1.6791501368        0.5122206416       -1.5148926111
H             1.9307574365        1.3574365070       -1.8846811402
H             0.7171698875        0.4335195236       -1.6466047261
O            -0.2086230761       -2.5807718909       -0.1110090558
H             0.4703225216       -1.9896966057        0.2872419493
H             0.2571191994       -3.3543080064       -0.4272404270
O            -2.3893780488       -2.0323315124        1.4802002076
H            -2.7585983073       -2.7041246925        2.0554936786
H            -1.6668752036       -2.4492919526        0.9742884643
O            -1.2904226273        0.4832759764        1.4571462745
H            -1.6540647453        1.1974177142        1.9803744097
H            -1.7971647970       -0.3179193941        1.6774793188
O             1.3355368698       -0.6874961248        0.9886032280
H             0.6169349370       -0.1432115629        1.3349193881
H             1.6627055213       -0.1888141187        0.2240965659
O            -1.0246139479       -0.0574193620       -1.4286545638
H            -0.9325785852       -1.0042890790       -1.2695892389
H            -1.2761471167        0.2910777645       -0.5641035402
    18
 Energy=    -45.3719908872111
O             1.6790856884        0.5122535561       -1.5150028053
H             1.9307227867        1.3574852577       -1.8846681236
H             0.7170940266        0.4336200442       -1.6467436013
O            -0.2088820937       -2.5807949734       -0.1116735835
H             0.4699830473       -1.9897947819        0.2867919342
H             0.2571711781       -3.3542660811       -0.4271934385
O            -2.3838557057       -2.0325303589        1.4848727808
H            -2.7655247592       -2.7060062623        2.0506197933
H            -1.6641196740       -2.4496474552        0.9773350083
O            -1.2911577579        0.4842213835        1.4564335389
H            -1.6535921988        1.1982905222        1.9804666378
H            -1.7966973458       -0.3174211938        1.6774874610
O             1.3352128227       -0.6876534890        0.9884243038
H             0.6167843717       -0.1432322760        1.3348593641
H             1.6624234605       -0.1888455883        0.2240111617
O            -1.0247767082       -0.0573790227       -1.4288465996
H            -0.9324133725       -1.0042810652       -1.2697188425
H            -1.2762277132        0.2912556084       -0.5643868093
    18
 Energy=    -45.3483158769982
O             1.6789951796        0.5123569824       -1.5152237476
H             1.9306695985        1.3575190479       -1.8846283850
H             0.7169118504        0.4337984094       -1.6469971604
O            -0.2091208847       -2.5809430307       -0.1131037639
H             0.4693480236       -1.9895519157        0.2863472943
H             0.2569290853       -3.3543032758       -0.4271060460
O            -2.3720047470       -2.0317097979        1.4942600119
H            -2.7770243598       -2.7093548184        2.0406365901
H            -1.6617027765       -2.4509323821        0.9831856188
O            -1.2921117345        0.4857602421        1.4549138479
H            -1.6530843180        1.1987226740        1.9806460825
H            -1.7962533711       -0.3159310051        1.6773342261
O             1.3346849980       -0.6878828696        0.9881010194
H             0.6164505629       -0.1434080009        1.3347904887
H             1.6620483255       -0.1888384134        0.2238398766
O            -1.0250416001       -0.0570971307       -1.4291380596
H            -0.9321287306       -1.0042791287       -1.2698760229
H            -1.2763350459        0.2913482376       -0.5649136933
    18
 Energy=    -45.3391341601606
O             1.6791641721        0.5121689119       -1.5148171555
H             1.9307441077        1.3574696887       -1.8846990462
H             0.7172732898        0.4334768121       -1.6465361327
O            -0.2088059335       -2.5806931833       -0.1103222836
H             0.4704654798       -1.9905005986        0.2867451406
H             0.2576201610       -3.3539132065       -0.4271810916
O            -2.3949413184       -2.0342255753        1.4758438815
H            -2.7577153129       -2.7037117812        2.0602532728
H            -1.6633969968       -2.4476690256        0.9723619253
O            -1.2908331123        0.4831903707        1.4579897757
H            -1.6536138006        1.1991265392        1.9802748390
H            -1.7966423787       -0.3193673498        1.6776951852
O             1.3355800240       -0.6875111165        0.9886877667
H             0.6171405304       -0.1429686266        1.3348600935
H             1.6625840226       -0.1889163148        0.2241852405
O            -1.0246274219       -0.0577368929       -1.4286024613
H            -0.9326075346       -1.0043466055       -1.2696729721
H            -1.2761579247        0.2914017774       -0.5639977982
    18
 Energy=    -45.3098096106758
O             1.6787211432        0.5123614216       -1.5155129413
H             1.9306141603        1.3577239672       -1.8846284957
H             0.7167398522        0.4340877536       -1.6473733395
O            -0.2095605648       -2.5804555253       -0.1148866009
H             0.4680536519       -1.9897776812        0.2852265049
H             0.2570442858       -3.3546214929       -0.4271185361
O            -2.3575790822       -2.0328077173        1.5100106993
H            -2.7941775226       -2.7126659483        2.0250679045
H            -1.6549917127       -2.4528706161        0.9911460379
O            -1.2936382139        0.4881892791        1.4524748718
H            -1.6521901753        1.2005734287        1.9811482623
H            -1.7953106712       -0.3142734734        1.6771935322
O             1.3338412642       -0.6882516249        0.9875411722
H             0.6159769960       -0.1436056958        1.3346514454
H             1.6613489145       -0.1888987563        0.2236406266
O            -1.0253749402       -0.0572261622       -1.4298087844
H            -0.9316894739       -1.0039777348       -1.2702367539
H            -1.2765978576        0.2917704021       -0.5654674267
    18
 Energy=    -45.2999155473627
O             1.6786523724        0.5123797549       -1.5156075395
H             1.9305995931        1.3577668331       -1.8846221774
H             0.7166678461        0.4341729912       -1.6474889063
O            -0.2096568858       -2.5803821297       -0.1155194690
H             0.4677074947       -1.9896578065        0.2850322745
H             0.2569711157       -3.3547715506       -0.4271294759
O            -2.3527664406       -2.0327658303        1.5152030746
H            -2.7988770344       -2.7135637282        2.0199069820
H            -1.6538140631       -2.4537758749        0.9935954761
O            -1.2939688790        0.4888800487        1.4516556873
H            -1.6520287296        1.2007326542        1.9812937648
H            -1.7951562347       -0.3135337085        1.6771354826
O             1.3336036882       -0.6883487204        0.9873780670
H             0.6158093315       -0.1437020407        1.3346262547
H             1.6611841370       -0.1888952066        0.2235653432
O            -1.0254663227       -0.0571765117       -1.4299917271
H            -0.9315672271       -1.0039009284       -1.2703127067
H            -1.2766637076        0.2918155791       -0.5656522246
    18
 Energy=    -45.2785453959377
O             1.6785301731        0.5124214602       -1.5157888443
H             1.9305718231        1.3578410564       -1.8846076547
H             0.7165230227        0.4343332710       -1.6477087643
O            -0.2098515809       -2.5802860072       -0.1167535394
H             0.4670903260       -1.9893570286        0.2847158269
H             0.2568029803       -3.3550726128       -0.4271544310
O            -2.3435358538       -2.0325512709        1.5250595878
H            -2.8076597358       -2.7152844783        2.0100250729
H            -1.6517990940       -2.4555636715        0.9983156681
O            -1.2945612675        0.4901790724        1.4500879359
H            -1.6517490104        1.2009158133        1.9815595661
H            -1.7948984309       -0.3120604760        1.6770322052
O             1.3331589227       -0.6885314200        0.9870746927
H             0.6154833017       -0.1438902882        1.3345846693
H             1.6608860913       -0.1888814399        0.2234142656
O            -1.0256393645       -0.0570466487       -1.4303304369
H            -0.9313393295       -1.0037670137       -1.2704441582
H            -1.2767829206        0.2918755079       -0.5660134809
    18
 Energy=    -45.2624334667923
O             1.6784050059        0.5124577919       -1.5159698657
H             1.9305452566        1.3579215614       -1.8845954480
H             0.7163776356        0.4344947809       -1.6479295856
O            -0.2100704587       -2.5801725611       -0.1180014334
H             0.4664787155       -1.9890477961        0.2844041399
H             0.2566566430       -3.3554056705       -0.4271928807
O            -2.3348697294       -2.0326669725        1.5354833672
H            -2.8160932375       -2.7165450480        1.9998328648
H            -1.6495759690       -2.4575267165        1.0028191929
O            -1.2951225206        0.4915098534        1.4484753455
H            -1.6514792094        1.2011245889        1.9818469755
H            -1.7946478658       -0.3105957239        1.6769449350
O             1.3327132257       -0.6887137985        0.9867687391
H             0.6151531056       -0.1440801294        1.3345438733
H             1.6605857848       -0.1888678538        0.2232623736
O            -1.0258077684       -0.0569340859       -1.4306822886
H            -0.9311117137       -1.0036186316       -1.2705774337
H            -1.2769068444        0.2919402351       -0.5663646926
    18
 Energy=    -45.2356752889298
O             1.6781371247        0.5125276424       -1.5163517281
H             1.9304885381        1.3581007633       -1.8845725801
H             0.7160728720        0.4348382020       -1.6483974734
O            -0.2105833220       -2.5799098810       -0.1206452708
H             0.4651878662       -1.9884426339        0.2837105693
H             0.2564023113       -3.3561116655       -0.4272776060
O            -2.3174434300       -2.0336560494        1.5583958074
H            -2.8335003689       -2.7184363983        1.9779544495
H            -1.6444310758       -2.4618152192        1.0118531565
O            -1.2963182584        0.4943916272        1.4450412467
H            -1.6508800754        1.2017246683        1.9824828211
H            -1.7940940476       -0.3075962140        1.6767677924
O             1.3317650314       -0.6891032452        0.9861186291
H             0.6144600909       -0.1444734042        1.3344518669
H             1.6599331310       -0.1888445369        0.2229458038
O            -1.0261655164       -0.0567329176       -1.4314402467
H            -0.9306242485       -1.0032940289       -1.2708723262
H            -1.2771765669        0.2921071149       -0.5670967323
    18
 Energy=    -45.2297228395454
O             1.6780552140        0.5125457787       -1.5164653456
H             1.9304714498        1.3581575651       -1.8845668373
H             0.7159836175        0.4349414502       -1.6485373538
O            -0.2107479423       -2.5798196932       -0.1214324084
H             0.4647975143       -1.9882849054        0.2834873454
H             0.2563451014       -3.3563206907       -0.4273031078
O            -2.3124875916       -2.0341740137        1.5654858988
H            -2.8385954046       -2.7187869038        1.9713477761
H            -1.6427598640       -2.4631249701        1.0143935098
O            -1.2966817288        0.4952732264        1.4440098650
H            -1.6506899331        1.2019624947        1.9826821649
H            -1.7939177797       -0.3067351744        1.6767162927
O             1.3314795025       -0.6892206619        0.9859227352
H             0.6142556392       -0.1445880315        1.3344220522
H             1.6597315263       -0.1888400079        0.2228536707
O            -1.0262727679       -0.0566874428       -1.4316713340
H            -0.9304765269       -1.0031925854       -1.2709656025
H            -1.2772599741        0.2921683896       -0.5673111417
    18
 Energy=    -45.2246772850535
O             1.6779811761        0.5125619950       -1.5165679004
H             1.9304559388        1.3582090813       -1.8845617116
H             0.7159032257        0.4350347292       -1.6486636632
O            -0.2108980926       -2.5797376707       -0.1221427838
H             0.4644447438       -1.9881455180        0.2832836717
H             0.2562954659       -3.3565082337       -0.4273257670
O            -2.3080277941       -2.0346696610        1.5719099196
H            -2.8431906121       -2.7190830103        1.9653774150
H            -1.6412423384       -2.4643043838        1.0166714271
O            -1.2970119689        0.4960715245        1.4430792371
H            -1.6505161331        1.2021846384        1.9828626720
H            -1.7937568226       -0.3059620310        1.6766696157
O             1.3312213615       -0.6893269318        0.9857457632
H             0.6140714957       -0.1446909958        1.3343948128
H             1.6595486225       -0.1888362292        0.2227707423
O            -1.0263699127       -0.0566476235       -1.4318801645
H            -0.9303428103       -1.0031009866       -1.2710504527
H            -1.2773354924        0.2922251302       -0.5675046541
    18
 Energy=    -45.2079870040442
O             1.6777384187        0.5126148054       -1.5169056514
H             1.9304052126        1.3583803011       -1.8845453695
H             0.7156359250        0.4353425590       -1.6490810571
O            -0.2114102196       -2.5794674594       -0.1245007518
H             0.4632979531       -1.9876726615        0.2826203360
H             0.2561351977       -3.3571360352       -0.4274037579
O            -2.2928676883       -2.0347623576        1.5929994751
H            -2.8591904738       -2.7211912364        1.9461678793
H            -1.6358423610       -2.4685995518        1.0238106919
O            -1.2980823055        0.4987086806        1.4399854031
H            -1.6499529467        1.2029116619        1.9834669127
H            -1.7932413931       -0.3034226842        1.6765316827
O             1.3303757808       -0.6896774308        0.9851622000
H             0.6134587966       -0.1450278619        1.3343077450
H             1.6589464516       -0.1888234068        0.2224953482
O            -1.0266887914       -0.0565206126       -1.4325788393
H            -0.9299010700       -1.0027963936       -1.2713285598
H            -1.2775864321        0.2924135077       -0.5681355075
    18
 Energy=    -45.2004704292903
O             1.6774096304        0.5127641842       -1.5171745806
H             1.9303677340        1.3585606593       -1.8845502227
H             0.7153640930        0.4357264341       -1.6497457822
O            -0.2124422799       -2.5785129871       -0.1269242341
H             0.4620812203       -1.9872360023        0.2814104242
H             0.2550040084       -3.3573178557       -0.4270920203
O            -2.2715696684       -2.0413380140        1.6208636676
H            -2.8783709310       -2.7150589642        1.9206785559
H            -1.6289219361       -2.4707242053        1.0327239018
O            -1.3008753461        0.4994631196        1.4367500856
H            -1.6492746635        1.2026033508        1.9838243689
H            -1.7937894168       -0.3033205029        1.6757326754
O             1.3294500215       -0.6899883070        0.9845549555
H             0.6128102965       -0.1452625151        1.3340872049
H             1.6581969728       -0.1888328670        0.2221718598
O            -1.0274713586       -0.0564856035       -1.4335444477
H            -0.9290203706       -1.0024972938       -1.2716985886
H            -1.2777179534        0.2927311948       -0.5689996438
    18
 Energy=    -45.2080795053525
O             1.6770808432        0.5129135632       -1.5174435089
H             1.9303302565        1.3587410186       -1.8845550760
H             0.7150922611        0.4361103092       -1.6504105073
O            -0.2134743400       -2.5775585137       -0.1293477165
H             0.4608644876       -1.9867993431        0.2802005125
H             0.2538728193       -3.3574996762       -0.4267802827
O            -2.2502716484       -2.0479136714        1.6487278612
H            -2.8975513882       -2.7089266931        1.8951892336
H            -1.6220015102       -2.4728488589        1.0416371126
O            -1.3036683856        0.5002175586        1.4335147682
H            -1.6485963802        1.2022950396        1.9841818241
H            -1.7943374414       -0.3032183218        1.6749336682
O             1.3285242621       -0.6902991832        0.9839477101
H             0.6121617966       -0.1454971685        1.3338666637
H             1.6574474940       -0.1888423271        0.2218483713
O            -1.0282539258       -0.0564505945       -1.4345100571
H            -0.9281396712       -1.0021981941       -1.2720686174
H            -1.2778494747        0.2930488819       -0.5698637799
    18
 Energy=    -45.2256549527531
O             1.6768046586        0.5130998795       -1.5175163352
H             1.9303225461        1.3588523222       -1.8845794871
H             0.7149251162        0.4363999029       -1.6510428418
O            -0.2145600880       -2.5763574202       -0.1306280567
H             0.4601501173       -1.9865756067        0.2789158687
H             0.2522356725       -3.3571289873       -0.4262327646
O            -2.2341877335       -2.0576378155        1.6684436435
H            -2.9105097894       -2.6973158572        1.8758197058
H            -1.6159579376       -2.4719538122        1.0492979601
O            -1.3070390023        0.4986942067        1.4315402928
H            -1.6481531368        1.2010712084        1.9840695014
H            -1.7951536812       -0.3058428095        1.6745158329
O             1.3279216784       -0.6904256996        0.9835923673
H             0.6117333477       -0.1455298546        1.3335852190
H             1.6568740816       -0.1888666278        0.2216158543
O            -1.0291231956       -0.0565283912       -1.4353310305
H            -0.9272303485       -1.0020511015       -1.2723793210
H            -1.2778222524        0.2933702883       -0.5706182305
    18
 Energy=    -45.2306489337315
O             1.6767278159        0.5131518565       -1.5175365026
H             1.9303204832        1.3588836401       -1.8845864183
H             0.7148780082        0.4364808050       -1.6512196669
O            -0.2148678298       -2.5760222788       -0.1309888048
H             0.4599553087       -1.9865101773        0.2785586926
H             0.2517790463       -3.3570269170       -0.4260802990
O            -2.2295242377       -2.0599420907        1.6739642390
H            -2.9144018139       -2.6943758860        1.8705003894
H            -1.6141668086       -2.4718092823        1.0513354540
O            -1.3079763230        0.4982684289        1.4309844050
H            -1.6480314607        1.2007281436        1.9840399739
H            -1.7953867145       -0.3065796789        1.6744014297
O             1.3277549219       -0.6904609887        0.9834932695
H             0.6116125141       -0.1455379956        1.3335071497
H             1.6567140544       -0.1888734239        0.2215505529
O            -1.0293656097       -0.0565512652       -1.4355629299
H            -0.9269761693       -1.0020094662       -1.2724656240
H            -1.2778151310        0.2934604000       -0.5708271326
    18
 Energy=    -45.2366323730116
O             1.6766411620        0.5132103479       -1.5175591683
H             1.9303180784        1.3589191231       -1.8845942847
H             0.7148251353        0.4365720438       -1.6514190367
O            -0.2152158740       -2.5756436728       -0.1313950715
H             0.4597348681       -1.9864398136        0.2781537294
H             0.2512657513       -3.3569100977       -0.4259078634
O            -2.2242902092       -2.0625702652        1.6801970207
H            -2.9187838758       -2.6910356036        1.8644951136
H            -1.6121280601       -2.4716448768        1.0536353964
O            -1.3090352459        0.4977896141        1.4303600269
H            -1.6478919984        1.2003482195        1.9840067717
H            -1.7956504007       -0.3074146943        1.6742685138
O             1.3275665718       -0.6905010080        0.9833815962
H             0.6114769471       -0.1455466708        1.3334188178
H             1.6565328214       -0.1888814094        0.2214771952
O            -1.0296394321       -0.0565781308       -1.4358246541
H            -0.9266890147       -1.0019627146       -1.2725634947
H            -1.2778071679        0.2935634355       -0.5710624278
    18
 Energy=    -45.2609434302743
O             1.6763924400        0.5133597785       -1.5176187012
H             1.9303134448        1.3590391149       -1.8846243635
H             0.7146767618        0.4368318026       -1.6519845803
O            -0.2163388300       -2.5745296097       -0.1325862646
H             0.4591630549       -1.9862530632        0.2770040529
H             0.2499153718       -3.3566468491       -0.4254534608
O            -2.2127069117       -2.0718031035        1.6998244935
H            -2.9293632885       -2.6791921078        1.8464349485
H            -1.6049465736       -2.4719006240        1.0593834102
O            -1.3119470715        0.4965462380        1.4285300656
H            -1.6474916301        1.1994691050        1.9839769567
H            -1.7964960588       -0.3099363009        1.6738252580
O             1.3270331216       -0.6906137257        0.9830698294
H             0.6110981360       -0.1455619563        1.3331642412
H             1.6560029260       -0.1889083512        0.2212714387
O            -1.0304090080       -0.0567215999       -1.4366115842
H            -0.9258673490       -1.0017965429       -1.2728505303
H            -1.2777984810        0.2938916184       -0.5716870312
    18
 Energy=    -45.2836511646065
O             1.6756963486        0.5136471051       -1.5177368290
H             1.9302854463        1.3593935910       -1.8847180339
H             0.7144823612        0.4374672754       -1.6533134442
O            -0.2182291175       -2.5711078401       -0.1348064219
H             0.4565629158       -1.9877554015        0.2729876047
H             0.2469691509       -3.3550542275       -0.4240078367
O            -2.1820800177       -2.0952060354        1.7449166132
H            -2.9601562839       -2.6532766715        1.8068254899
H            -1.5846268436       -2.4696868842        1.0724195386
O            -1.3200384577        0.4936097758        1.4253223810
H            -1.6456565220        1.1997576970        1.9838785446
H            -1.7985609796       -0.3172206138        1.6710577403
O             1.3255630407       -0.6909148092        0.9822847729
H             0.6105048614       -0.1455163347        1.3323843091
H             1.6544387992       -0.1891100478        0.2209494127
O            -1.0323323973       -0.0576016719       -1.4386582821
H            -0.9237289598       -1.0013970139       -1.2737966700
H            -1.2778632911        0.2952459324       -0.5729207138
    18
 Energy=    -45.2873516067834
O             1.6757478937        0.5136299810       -1.5177297043
H             1.9302854007        1.3593677885       -1.8847106158
H             0.7144949463        0.4374240576       -1.6532231211
O            -0.2181325004       -2.5713584914       -0.1346682447
H             0.4567526349       -1.9876719038        0.2732509184
H             0.2471842196       -3.3551386868       -0.4240974742
O            -2.1841981586       -2.0936785040        1.7418278879
H            -2.9581338843       -2.6550676129        1.8096211540
H            -1.5858829719       -2.4697876776        1.0714952127
O            -1.3195107762        0.4938294287        1.4255701320
H            -1.6457540665        1.1998082255        1.9838840748
H            -1.7984360140       -0.3167626263        1.6711935352
O             1.3256621371       -0.6908999103        0.9823390235
H             0.6105494210       -0.1455118181        1.3324354326
H             1.6545370840       -0.1890986118        0.2209732005
O            -1.0322108664       -0.0575378101       -1.4385109572
H            -0.9238678470       -1.0014356117       -1.2737370320
H            -1.2778565985        0.2951636077       -0.5728452454
    18
 Energy=    -45.2936883992848
O             1.6756201028        0.5136290525       -1.5177310385
H             1.9303071968        1.3594240841       -1.8847329659
H             0.7144858942        0.4374892106       -1.6533570521
O            -0.2178441782       -2.5707583537       -0.1347093293
H             0.4562632761       -1.9876488649        0.2729311389
H             0.2466826628       -3.3552392666       -0.4240439882
O            -2.1804197931       -2.0949479971        1.7465062382
H            -2.9606105112       -2.6523981569        1.8045249397
H            -1.5853788075       -2.4701543130        1.0732628703
O            -1.3200581457        0.4932757055        1.4248810081
H            -1.6459103360        1.1989761644        1.9838935919
H            -1.7984318150       -0.3170617820        1.6715612837
O             1.3255188579       -0.6908515885        0.9822420621
H             0.6104441268       -0.1456131038        1.3323723318
H             1.6544754832       -0.1890929514        0.2209266760
O            -1.0322837279       -0.0576886718       -1.4388287362
H            -0.9237319773       -1.0012500488       -1.2737790781
H            -1.2778982550        0.2951847049       -0.5728517729
    18
 Energy=    -45.3919746082175
O             1.6755957493        0.5137557564       -1.5177947980
H             1.9304299424        1.3593174893       -1.8847349804
H             0.7140854197        0.4375521621       -1.6535467998
O            -0.2186466925       -2.5711685388       -0.1359086971
H             0.4581499392       -1.9833294177        0.2757630918
H             0.2451190439       -3.3575158294       -0.4246289516
O            -2.1780897556       -2.0879023853        1.7516158809
H            -2.9543537180       -2.6470937075        1.7920173304
H            -1.5946852667       -2.4761216961        1.0774611108
O            -1.3180752367        0.4916660864        1.4213308752
H            -1.6489699047        1.1910815678        1.9840606426
H            -1.7962987299       -0.3155056464        1.6773737923
O             1.3260262614       -0.6905956606        0.9822185060
H             0.6094945368       -0.1463113547        1.3324875923
H             1.6553150126       -0.1884585781        0.2206002017
O            -1.0318056848       -0.0567900418       -1.4388427396
H            -0.9240939618       -1.0009501843       -1.2733187984
H            -1.2779669012        0.2936438013       -0.5730850814
    18
 Energy=    -45.4028068995426
O             1.6755096004        0.5138924262       -1.5178515314
H             1.9304056628        1.3593037463       -1.8847199829
H             0.7140078096        0.4376704285       -1.6538010144
O            -0.2183072026       -2.5707284812       -0.1363395741
H             0.4573183758       -1.9837647881        0.2748949466
H             0.2442217103       -3.3568021361       -0.4241982746
O            -2.1738115806       -2.0922208692        1.7595607235
H            -2.9588171926       -2.6418232796        1.7848217527
H            -1.5908157301       -2.4760378772        1.0801311517
O            -1.3194930685        0.4912316086        1.4207098370
H            -1.6487046960        1.1908717203        1.9840127777
H            -1.7965896652       -0.3168944878        1.6769551164
O             1.3257447820       -0.6905570001        0.9819973047
H             0.6093970206       -0.1463866075        1.3323073855
H             1.6550091162       -0.1885288526        0.2206170114
O            -1.0322051761       -0.0566647719       -1.4390820100
H            -0.9236835466       -1.0010568222       -1.2734669707
H            -1.2779561668        0.2937698665       -0.5734804686
    18
 Energy=    -45.4138355841029
O             1.6752801512        0.5139318772       -1.5178926914
H             1.9304316957        1.3594262067       -1.8847716209
H             0.7139014095        0.4378625051       -1.6541611247
O            -0.2191231542       -2.5697464821       -0.1371047908
H             0.4569776320       -1.9835042249        0.2743433616
H             0.2433611415       -3.3568665071       -0.4239265505
O            -2.1685840555       -2.0969427364        1.7695370597
H            -2.9635953471       -2.6341524296        1.7743977267
H            -1.5863734323       -2.4766180435        1.0848225189
O            -1.3211778667        0.4901882221        1.4194067658
H            -1.6488366617        1.1897760912        1.9841143205
H            -1.7964867988       -0.3186833223        1.6770145291
O             1.3254724007       -0.6906131063        0.9817905707
H             0.6090562667       -0.1465256360        1.3320734388
H             1.6547398760       -0.1884252379        0.2205019375
O            -1.0325729462       -0.0568222244       -1.4395352607
H            -0.9231967111       -1.0008373753       -1.2737096794
H            -1.2780435444        0.2938262469       -0.5738323334
    18
 Energy=    -45.4339934402420
O             1.6750942264        0.5142408900       -1.5180644857
H             1.9304186861        1.3593955461       -1.8847717895
H             0.7135364781        0.4381901060       -1.6547761474
O            -0.2202998881       -2.5689226281       -0.1387221791
H             0.4566619404       -1.9827167136        0.2737225038
H             0.2414521751       -3.3563804332       -0.4231949378
O            -2.1624733127       -2.1028318268        1.7823056637
H            -2.9693249730       -2.6217987048        1.7588797898
H            -1.5790898614       -2.4782033737        1.0940320168
O            -1.3237670841        0.4886841888        1.4173610773
H            -1.6493494851        1.1870367141        1.9841503679
H            -1.7957000944       -0.3219867740        1.6775329575
O             1.3251413968       -0.6906731348        0.9814370944
H             0.6083643770       -0.1468705909        1.3316105703
H             1.6543586481       -0.1881414003        0.2203470082
O            -1.0331922603       -0.0564155762       -1.4400399833
H            -0.9223816508       -1.0009397345       -1.2740746600
H            -1.2782192654        0.2936072708       -0.5746666877
    18
 Energy=    -45.4707149759721
O             1.6743450260        0.5142613926       -1.5182027938
H             1.9305389299        1.3597874608       -1.8849855749
H             0.7131715713        0.4387858199       -1.6557126573
O            -0.2226477454       -2.5663233043       -0.1405434077
H             0.4560279908       -1.9815482414        0.2726001475
H             0.2389303470       -3.3565909650       -0.4223131939
O            -2.1556645753       -2.1100976683        1.7976419902
H            -2.9761709033       -2.6026190490        1.7366663342
H            -1.5671780115       -2.4811850448        1.1106235358
O            -1.3276120624        0.4852527074        1.4139013510
H            -1.6508192111        1.1826102456        1.9847041618
H            -1.7934669136       -0.3274346587        1.6784869797
O             1.3246263808       -0.6907451047        0.9808745050
H             0.6071576142       -0.1475338591        1.3307369600
H             1.6537959134       -0.1875781912        0.2201266747
O            -1.0338145762       -0.0566212725       -1.4410477897
H            -0.9212103051       -1.0004144190       -1.2748977807
H            -1.2787794152        0.2932679761       -0.5755912627
    18
 Energy=    -45.5104145232790
O             1.6742754922        0.5157189566       -1.5189296274
H             1.9303352940        1.3590627785       -1.8847931007
H             0.7117695186        0.4397355967       -1.6572536108
O            -0.2252020530       -2.5637496674       -0.1426154552
H             0.4550846184       -1.9792855201        0.2706238686
H             0.2338778674       -3.3555647272       -0.4204363906
O            -2.1483540706       -2.1168984198        1.8146865355
H            -2.9833659102       -2.5733741295        1.7045833825
H            -1.5496458193       -2.4869042347        1.1389781755
O            -1.3335044641        0.4813209445        1.4099688891
H            -1.6532970327        1.1725470601        1.9843424059
H            -1.7886833566       -0.3372286078        1.6809242107
O             1.3237593723       -0.6908912457        0.9803679562
H             0.6050790539       -0.1487344523        1.3290907474
H             1.6531380694       -0.1863814794        0.2195322804
O            -1.0342353411       -0.0568186640       -1.4435291591
H            -0.9195639691       -0.9999301482       -1.2762540768
H            -1.2802372160        0.2926497847       -0.5762188521
    18
 Energy=    -45.5360547568928
O             1.6727327457        0.5149425146       -1.5187889493
H             1.9307043489        1.3601989358       -1.8853887005
H             0.7118013923        0.4404176254       -1.6580334973
O            -0.2262316068       -2.5618484287       -0.1427423678
H             0.4541900983       -1.9780143721        0.2690493884
H             0.2307428885       -3.3550503290       -0.4193459259
O            -2.1459800224       -2.1186627609        1.8212184908
H            -2.9854179068       -2.5560275835        1.6867300940
H            -1.5398600432       -2.4908047279        1.1571923599
O            -1.3362518771        0.4757869648        1.4064945965
H            -1.6561783329        1.1675487986        1.9857427241
H            -1.7845031054       -0.3427607294        1.6825114904
O             1.3234917658       -0.6906049202        0.9795271040
H             0.6036470059       -0.1494625616        1.3280018154
H             1.6526159256       -0.1859256625        0.2196545439
O            -1.0347324304       -0.0556661087       -1.4436007612
H            -0.9186245787       -1.0003274950       -1.2771099142
H            -1.2809162130        0.2915346659       -0.5780443133
    18
 Energy=    -45.5420199989329
O             1.6728311944        0.5154274312       -1.5189728348
H             1.9306009962        1.3598861288       -1.8853124379
H             0.7114335286        0.4406459551       -1.6582786604
O            -0.2265111204       -2.5607485347       -0.1411180877
H             0.4537997584       -1.9777307610        0.2679542113
H             0.2301168356       -3.3553874222       -0.4193096704
O            -2.1444613761       -2.1186227902        1.8234848553
H            -2.9858600604       -2.5505600625        1.6806263500
H            -1.5380684978       -2.4917152284        1.1622187689
O            -1.3369178404        0.4748935725        1.4063787240
H            -1.6569074555        1.1650657331        1.9855454375
H            -1.7832113498       -0.3453216943        1.6831384941
O             1.3231211865       -0.6904057633        0.9794882344
H             0.6033137782       -0.1496418542        1.3274926928
H             1.6524981756       -0.1858007921        0.2195464682
O            -1.0343253946       -0.0569985121       -1.4444747626
H            -0.9186538612       -0.9992891320       -1.2776631460
H            -1.2815684435        0.2915775502       -0.5776764577
    18
 Energy=    -45.5450595602583
O             1.6726820099        0.5153734099       -1.5189589772
H             1.9306280095        1.3599980431       -1.8853773356
H             0.7114339297        0.4407283879       -1.6583569049
O            -0.2267984199       -2.5610272011       -0.1409822407
H             0.4539547309       -1.9774873103        0.2677176796
H             0.2297334037       -3.3550625813       -0.4191378915
O            -2.1435458073       -2.1192960114        1.8251008466
H            -2.9867013454       -2.5484524812        1.6782418581
H            -1.5369192893       -2.4917891204        1.1637269610
O            -1.3372589524        0.4742673194        1.4062138149
H            -1.6571336479        1.1646923807        1.9856609131
H            -1.7828436508       -0.3461344192        1.6831211555
O             1.3230827350       -0.6903999051        0.9794136684
H             0.6031374881       -0.1496014678        1.3273641359
H             1.6524165816       -0.1857768585        0.2195271813
O            -1.0344608592       -0.0566108695       -1.4444236049
H            -0.9185467167       -0.9996017247       -1.2777446669
H            -1.2816301456        0.2914542338       -0.5780384145
    18
 Energy=    -45.5483835141980
O             1.6725982742        0.5153412215       -1.5189307259
H             1.9306338709        1.3600757555       -1.8854425820
H             0.7114535155        0.4407901767       -1.6583245976
O            -0.2270462728       -2.5616918440       -0.1399092529
H             0.4543377945       -1.9772886051        0.2673411251
H             0.2296917017       -3.3547317075       -0.4191136448
O            -2.1433228393       -2.1191220210        1.8251480763
H            -2.9867646199       -2.5478934966        1.6779103287
H            -1.5370114754       -2.4912990765        1.1634091020
O            -1.3370920281        0.4737606892        1.4066967890
H            -1.6573265462        1.1646791040        1.9857361441
H            -1.7825053699       -0.3468819978        1.6829065293
O             1.3230434232       -0.6903487470        0.9794028367
H             0.6030342343       -0.1493843072        1.3272324211
H             1.6523747677       -0.1858324630        0.2195051746
O            -1.0344501296       -0.0563557706       -1.4443339094
H            -0.9186526522       -0.9999211378       -1.2778461894
H            -1.2817655945        0.2913780529       -0.5783194457
    18
 Energy=    -45.5561962393578
O             1.6723836626        0.5154208128       -1.5189099524
H             1.9306145478        1.3602159285       -1.8856352658
H             0.7113700557        0.4410841608       -1.6582843599
O            -0.2279455705       -2.5634323141       -0.1355425056
H             0.4554464188       -1.9765360907        0.2657351448
H             0.2294277991       -3.3538984270       -0.4190912894
O            -2.1423567447       -2.1185103821        1.8259393313
H            -2.9870116249       -2.5441300667        1.6749428842
H            -1.5366505535       -2.4898615899        1.1637726397
O            -1.3365869994        0.4717811716        1.4082934106
H            -1.6582864206        1.1636286330        1.9859278700
H            -1.7809287754       -0.3502357781        1.6824573121
O             1.3227565113       -0.6900849580        0.9793363194
H             0.6025698927       -0.1487025829        1.3265996470
H             1.6522257714       -0.1859572336        0.2193720984
O            -1.0342187575       -0.0561368560       -1.4444135013
H            -0.9190900769       -1.0005217507       -1.2783914767
H            -1.2824890812        0.2911511468       -0.5790401264
    18
 Energy=    -45.5636275924034
O             1.6722120356        0.5156217485       -1.5189555821
H             1.9305855689        1.3603132505       -1.8858502952
H             0.7111853921        0.4414728749       -1.6582249422
O            -0.2287500972       -2.5651605285       -0.1301439024
H             0.4565292662       -1.9755637112        0.2641503846
H             0.2290966732       -3.3533175855       -0.4191829741
O            -2.1415569069       -2.1177085947        1.8268086102
H            -2.9872623310       -2.5390372324        1.6711757676
H            -1.5359676441       -2.4880781482        1.1641964001
O            -1.3355773900        0.4693986971        1.4099338558
H            -1.6597400136        1.1613541194        1.9861625036
H            -1.7789155353       -0.3540191159        1.6823928322
O             1.3223274082       -0.6896623467        0.9791390061
H             0.6019683348       -0.1479580800        1.3257798043
H             1.6521728683       -0.1859798603        0.2191479968
O            -1.0338414497       -0.0563230462       -1.4447104945
H            -0.9197888565       -1.0008929338       -1.2790540362
H            -1.2834472661        0.2908143170       -0.5796967563
    18
 Energy=    -45.5758716612577
O             1.6717278523        0.5161095473       -1.5194013893
H             1.9306681869        1.3606285707       -1.8864079093
H             0.7109425948        0.4424484587       -1.6579560614
O            -0.2290453961       -2.5678169105       -0.1208725613
H             0.4579152089       -1.9735460841        0.2642503561
H             0.2279814828       -3.3531518889       -0.4191846727
O            -2.1399581459       -2.1167510661        1.8289797970
H            -2.9896938123       -2.5262033157        1.6622927348
H            -1.5330788964       -2.4835824546        1.1649004176
O            -1.3322215165        0.4639740207        1.4118612639
H            -1.6638573670        1.1528275006        1.9869620761
H            -1.7740638598       -0.3602456846        1.6840780887
O             1.3212649891       -0.6885020104        0.9778331949
H             0.6005495620       -0.1467118158        1.3238331147
H             1.6527540225       -0.1849797348        0.2183310545
O            -1.0334841651       -0.0568889036       -1.4455828293
H            -0.9218464645       -1.0018471367       -1.2800254587
H            -1.2853242226        0.2895127324       -0.5808230382
    18
 Energy=    -45.5873040571557
O             1.6721587334        0.5170231693       -1.5203272140
H             1.9307544737        1.3610122516       -1.8871834434
H             0.7100947251        0.4436043327       -1.6577823679
O            -0.2284853280       -2.5675842840       -0.1153468746
H             0.4584429391       -1.9737820446        0.2686744140
H             0.2269924468       -3.3532129840       -0.4174501372
O            -2.1394368487       -2.1151437724        1.8314745530
H            -2.9923055456       -2.5099971657        1.6505151448
H            -1.5299823635       -2.4798140376        1.1671946871
O            -1.3291301343        0.4581122501        1.4134902025
H            -1.6684088694        1.1432928998        1.9885857119
H            -1.7671783958       -0.3692462827        1.6862566488
O             1.3204890425       -0.6868989593        0.9751625030
H             0.5992758830       -0.1457094266        1.3210681676
H             1.6536152935       -0.1825451300        0.2173844610
O            -1.0342290644       -0.0591086080       -1.4463694253
H            -0.9243993530       -1.0025596741       -1.2809575007
H            -1.2870375808        0.2878312912       -0.5813213506
    18
 Energy=    -45.5909885365371
O             1.6719923733        0.5172579446       -1.5208191256
H             1.9308263848        1.3614428945       -1.8876818080
H             0.7102083305        0.4440399909       -1.6576929771
O            -0.2282528500       -2.5665364708       -0.1151344577
H             0.4585985734       -1.9747433981        0.2718817777
H             0.2268872366       -3.3532308298       -0.4159235407
O            -2.1397574233       -2.1140519096        1.8322004054
H            -2.9929993572       -2.5036949843        1.6457002527
H            -1.5296153400       -2.4790313587        1.1680491088
O            -1.3285068259        0.4560749074        1.4145099018
H            -1.6698159108        1.1398653399        1.9892944662
H            -1.7638724266       -0.3732229904        1.6868913916
O             1.3203833972       -0.6861975191        0.9741171861
H             0.5990384029       -0.1453981383        1.3197869535
H             1.6540330845       -0.1811204845        0.2167604138
O            -1.0351126661       -0.0599796999       -1.4465644332
H            -0.9253272365       -1.0032860035       -1.2811176518
H            -1.2874776928        0.2870865345       -0.5811896846
    18
 Energy=    -45.5932800166023
O             1.6719033660        0.5176811369       -1.5212834266
H             1.9307744511        1.3616509267       -1.8880509426
H             0.7102412112        0.4443856438       -1.6577941555
O            -0.2283769057       -2.5656685818       -0.1152494763
H             0.4587727976       -1.9753592704        0.2739988168
H             0.2265372006       -3.3530326752       -0.4143627014
O            -2.1392065133       -2.1138254599        1.8340899481
H            -2.9942083489       -2.4970375077        1.6397084614
H            -1.5284917552       -2.4790127950        1.1704315768
O            -1.3285897385        0.4539083012        1.4151015831
H            -1.6709518350        1.1371940500        1.9900394370
H            -1.7609597686       -0.3767644197        1.6872267088
O             1.3205094665       -0.6856476225        0.9734316925
H             0.5987039667       -0.1450660248        1.3187538645
H             1.6541883842       -0.1801074479        0.2161876213
O            -1.0360161976       -0.0604266978       -1.4467955289
H            -0.9257577463       -1.0040654949       -1.2812561210
H            -1.2878419826        0.2864677623       -0.5811091788
    18
 Energy=    -45.5948527414052
O             1.6718183557        0.5177252895       -1.5214363092
H             1.9306975881        1.3620181268       -1.8884132622
H             0.7104400830        0.4444242395       -1.6578624761
O            -0.2282567821       -2.5654039902       -0.1157890578
H             0.4589647688       -1.9758820731        0.2753107225
H             0.2267855369       -3.3529316802       -0.4131908190
O            -2.1394648104       -2.1134135951        1.8335291577
H            -2.9946288442       -2.4958772990        1.6390349503
H            -1.5294043284       -2.4789973455        1.1695051071
O            -1.3282556403        0.4535328385        1.4157660035
H            -1.6710689571        1.1366973342        1.9905278984
H            -1.7599009605       -0.3778259543        1.6871035165
O             1.3209917880       -0.6851295533        0.9733176193
H             0.5987928620       -0.1446804863        1.3183682672
H             1.6541769301       -0.1798619061        0.2158392684
O            -1.0368129016       -0.0606331307       -1.4465045019
H            -0.9258700138       -1.0045716064       -1.2811011903
H            -1.2877746207        0.2860846167       -0.5809367165
    18
 Energy=    -45.5962296560510
O             1.6718951747        0.5179102774       -1.5215930813
H             1.9305082485        1.3622637498       -1.8887384123
H             0.7105848450        0.4443678227       -1.6579710675
O            -0.2279940430       -2.5653880510       -0.1160360963
H             0.4591644169       -1.9762686810        0.2762825594
H             0.2272612887       -3.3529731264       -0.4120714871
O            -2.1397851458       -2.1130802856        1.8321672167
H            -2.9951628557       -2.4961297076        1.6398785279
H            -1.5309780398       -2.4787881855        1.1672529702
O            -1.3275483992        0.4534155703        1.4164782783
H            -1.6709965990        1.1367055971        1.9911124864
H            -1.7593024788       -0.3780563404        1.6868383348
O             1.3215024267       -0.6845502366        0.9736038866
H             0.5990781410       -0.1441946195        1.3181110514
H             1.6541644860       -0.1798246152        0.2153478954
O            -1.0376118153       -0.0607772162       -1.4461701836
H            -0.9259002482       -1.0050969206       -1.2808206205
H            -1.2876493493        0.2857387916       -0.5806040785
    18
 Energy=    -45.5980953936586
O             1.6719704159        0.5181681750       -1.5218207537
H             1.9301708828        1.3627371147       -1.8893175926
H             0.7107952027        0.4442693790       -1.6582147955
O            -0.2274540061       -2.5654267037       -0.1160558048
H             0.4594234352       -1.9766778165        0.2775873402
H             0.2280332576       -3.3532090043       -0.4102790461
O            -2.1401379824       -2.1128181537        1.8299022406
H            -2.9964086732       -2.4964260652        1.6412464687
H            -1.5333944412       -2.4783552990        1.1634616471
O            -1.3262144174        0.4534142649        1.4176147397
H            -1.6708446248        1.1364300307        1.9920456516
H            -1.7584848158       -0.3782885043        1.6864884367
O             1.3224910664       -0.6835277814        0.9740052175
H             0.5994744047       -0.1432471926        1.3177773490
H             1.6540795088       -0.1799663543        0.2146229152
O            -1.0388353808       -0.0612590258       -1.4456820404
H            -0.9259282683       -1.0057126525       -1.2803708788
H            -1.2875055106        0.2851694126       -0.5799429150
    18
 Energy=    -45.6003757171555
O             1.6721711117        0.5187785798       -1.5222851784
H             1.9295683617        1.3631956334       -1.8900647719
H             0.7110214044        0.4440835076       -1.6586236541
O            -0.2264122519       -2.5653586366       -0.1159631236
H             0.4597111284       -1.9771531420        0.2795199346
H             0.2293345311       -3.3539097451       -0.4077313598
O            -2.1410857293       -2.1123164899        1.8258733256
H            -2.9980963262       -2.4976792332        1.6442572747
H            -1.5373455833       -2.4776891899        1.1570866034
O            -1.3240513295        0.4535562088        1.4192746273
H            -1.6705090387        1.1360571679        1.9934543484
H            -1.7574297626       -0.3779805260        1.6860295044
O             1.3238036083       -0.6820234497        0.9747363416
H             0.6002744937       -0.1418556621        1.3173647113
H             1.6540658310       -0.1801699783        0.2135065510
O            -1.0404926528       -0.0621415129       -1.4449783723
H            -0.9259965342       -1.0064572939       -1.2796334819
H            -1.2873012067        0.2843375856       -0.5787551023
    18
 Energy=    -45.6024229259115
O             1.6719800929        0.5192047323       -1.5229061483
H             1.9287965657        1.3643359944       -1.8913551405
H             0.7109286074        0.4440732020       -1.6596458008
O            -0.2250791579       -2.5649453795       -0.1152645035
H             0.4600777019       -1.9769861630        0.2815899863
H             0.2302974767       -3.3549760613       -0.4038135071
O            -2.1416490309       -2.1124808011        1.8229589525
H            -3.0013484169       -2.4941343703        1.6427443238
H            -1.5403250134       -2.4777500199        1.1525349353
O            -1.3216459662        0.4531885267        1.4209008671
H            -1.6704743799        1.1336198924        1.9955476593
H            -1.7550580761       -0.3798172392        1.6860683260
O             1.3253986171       -0.6800934736        0.9752050793
H             0.6010794931       -0.1397795904        1.3166720276
H             1.6540772086       -0.1802630874        0.2121499460
O            -1.0424019020       -0.0636406191       -1.4443186903
H            -0.9259505196       -1.0072538666       -1.2788797165
H            -1.2874732455        0.2829721478       -0.5771204152
    18
 Energy=    -45.6101254864241
O             1.6704841778        0.5211072962       -1.5251649242
H             1.9265316229        1.3651559012       -1.8931021258
H             0.7096817248        0.4442453732       -1.6630509331
O            -0.2231415142       -2.5637705003       -0.1126398108
H             0.4610893193       -1.9737878498        0.2814312537
H             0.2309762551       -3.3576921226       -0.3958437383
O            -2.1437857009       -2.1144370663        1.8215446841
H            -3.0070334793       -2.4805259576        1.6308937975
H            -1.5418367379       -2.4822160243        1.1521582099
O            -1.3199003050        0.4508433981        1.4224066801
H            -1.6698197325        1.1279478601        1.9999195674
H            -1.7495523889       -0.3836921768        1.6865933054
O             1.3270151184       -0.6773168546        0.9760545348
H             0.6033233058       -0.1358277072        1.3161645805
H             1.6543934217       -0.1807004058        0.2103602882
O            -1.0441649481       -0.0658747475       -1.4426335431
H            -0.9245909966       -1.0082364232       -1.2777171365
H            -1.2884390873        0.2800518312       -0.5743065109
    18
 Energy=    -45.6136431346950
O             1.6690016609        0.5219165495       -1.5269045715
H             1.9248613736        1.3662660927       -1.8946306623
H             0.7084339639        0.4444960779       -1.6656842314
O            -0.2221003090       -2.5632647937       -0.1110422980
H             0.4621901655       -1.9717114115        0.2812277923
H             0.2316588397       -3.3589731533       -0.3892517421
O            -2.1452509060       -2.1162072730        1.8212391880
H            -3.0115565576       -2.4698570052        1.6205738252
H            -1.5428686965       -2.4858332713        1.1526313825
O            -1.3187976027        0.4492249001        1.4234321694
H            -1.6690017206        1.1241888344        2.0034090980
H            -1.7455771161       -0.3871852002        1.6869572188
O             1.3278881425       -0.6754815503        0.9763308408
H             0.6052782359       -0.1329174738        1.3159503471
H             1.6549061400       -0.1806485571        0.2091230455
O            -1.0453060064       -0.0672446036       -1.4409973902
H            -0.9234481844       -1.0093446724       -1.2768300174
H            -1.2890813683        0.2778503345       -0.5724658149
    18
 Energy=    -45.6187640982010
O             1.6663882443        0.5224816847       -1.5303060909
H             1.9220803149        1.3680501750       -1.8969817763
H             0.7058585963        0.4450582223       -1.6691126427
O            -0.2202732057       -2.5632043584       -0.1090097213
H             0.4638726125       -1.9698954272        0.2822258411
H             0.2345185190       -3.3604460095       -0.3788591258
O            -2.1490436886       -2.1180482139        1.8177735939
H            -3.0180266044       -2.4594393057        1.6090412183
H            -1.5472934552       -2.4897686068        1.1493897301
O            -1.3163076491        0.4479548763        1.4257666104
H            -1.6664159982        1.1205513565        2.0089334595
H            -1.7409462171       -0.3904924092        1.6873736921
O             1.3293888115       -0.6736391386        0.9749473450
H             0.6086709230       -0.1283924060        1.3165905494
H             1.6566159059       -0.1794639284        0.2078734541
O            -1.0461750781       -0.0689160466       -1.4382346278
H            -0.9220934451       -1.0119598330       -1.2749532330
H            -1.2895885318        0.2748431924       -0.5693900949
    18
 Energy=    -45.6266213675473
O             1.6606607027        0.5221297843       -1.5398296379
H             1.9154161194        1.3703730401       -1.9011783843
H             0.6989982663        0.4470180950       -1.6714789709
O            -0.2151817089       -2.5669250516       -0.1037446454
H             0.4645261449       -1.9682458285        0.2879809734
H             0.2448874811       -3.3639894517       -0.3620045402
O            -2.1598795167       -2.1202513060        1.8054518880
H            -3.0304630255       -2.4566515867        1.5954682417
H            -1.5594331988       -2.4888255345        1.1359118929
O            -1.3098088891        0.4479748324        1.4325269040
H            -1.6575412619        1.1191792682        2.0190694526
H            -1.7383057126       -0.3894546598        1.6889940566
O             1.3314977170       -0.6718632658        0.9685782073
H             0.6175232064       -0.1241115577        1.3190185349
H             1.6623259791       -0.1724752855        0.2062159124
O            -1.0443689052       -0.0734038631       -1.4331457530
H            -0.9213565064       -1.0161252196       -1.2705109986
H            -1.2882668376        0.2709214142       -0.5642549565
    18
 Energy=    -45.6292032421708
O             1.6606331854        0.5223632895       -1.5402706508
H             1.9149739603        1.3703782649       -1.9014782223
H             0.6986720842        0.4471556330       -1.6713354338
O            -0.2150942502       -2.5667598938       -0.1028091412
H             0.4641813398       -1.9679025498        0.2881421589
H             0.2451033739       -3.3646401531       -0.3616022227
O            -2.1600393566       -2.1205385627        1.8062930458
H            -3.0313849107       -2.4540571492        1.5919393376
H            -1.5584513388       -2.4886181947        1.1374594082
O            -1.3097650950        0.4474005022        1.4328331496
H            -1.6575064379        1.1181258767        2.0194695469
H            -1.7378120482       -0.3905091742        1.6894666571
O             1.3320005394       -0.6714611181        0.9684471331
H             0.6175719854       -0.1243577135        1.3186778517
H             1.6622295509       -0.1720984848        0.2058155521
O            -1.0446588392       -0.0735031878       -1.4330863934
H            -0.9212716202       -1.0163508087       -1.2704566314
H            -1.2881520685        0.2706472489       -0.5644369663
    18
 Energy=    -45.6310593042693
O             1.6610097241        0.5223541715       -1.5400747141
H             1.9148197127        1.3701262884       -1.9014459070
H             0.6988100028        0.4470206968       -1.6705144480
O            -0.2152224003       -2.5670292018       -0.1025464599
H             0.4635511628       -1.9677475479        0.2876466792
H             0.2451529373       -3.3650515577       -0.3630707977
O            -2.1604262781       -2.1202664627        1.8066418285
H            -3.0305437910       -2.4558970247        1.5922361682
H            -1.5575902063       -2.4880147964        1.1385315086
O            -1.3101906110        0.4477835795        1.4327777143
H            -1.6572018574        1.1189870189        2.0189045330
H            -1.7390875755       -0.3896725866        1.6897529553
O             1.3326888997       -0.6714447361        0.9688968645
H             0.6172615394       -0.1255254990        1.3185890780
H             1.6616872868       -0.1722148632        0.2055986825
O            -1.0447033387       -0.0732532514       -1.4334047777
H            -0.9211122479       -1.0159924084       -1.2705428583
H            -1.2876729063        0.2711120048       -0.5649078701
    18
 Energy=    -45.6334354299762
O             1.6603657586        0.5226419398       -1.5414915736
H             1.9132895724        1.3705387135       -1.9025930076
H             0.6979263569        0.4472848585       -1.6702476473
O            -0.2147043513       -2.5678895236       -0.1004368634
H             0.4632287037       -1.9668260674        0.2880902363
H             0.2462525046       -3.3660316215       -0.3608703343
O            -2.1623060976       -2.1205239087        1.8067450272
H            -3.0326958805       -2.4515708252        1.5846291603
H            -1.5568978282       -2.4877370108        1.1404130299
O            -1.3096212608        0.4465095414        1.4339955305
H            -1.6562331276        1.1174518985        2.0206031318
H            -1.7382623938       -0.3910644635        1.6908291005
O             1.3344507003       -0.6703897944        0.9685458389
H             0.6179649233       -0.1258217918        1.3181651348
H             1.6616159077       -0.1712148502        0.2044023437
O            -1.0451839904       -0.0741437721       -1.4332124756
H            -0.9206882006       -1.0164739620       -1.2700835124
H            -1.2872712421        0.2705344640       -0.5644149424
    18
 Energy=    -45.6433385869719
O             1.6545597263        0.5244548041       -1.5513379693
H             1.9017157494        1.3745584437       -1.9115167223
H             0.6916130578        0.4478594496       -1.6705830861
O            -0.2101205942       -2.5733080455       -0.0894618726
H             0.4644728133       -1.9645986586        0.2927381876
H             0.2572073262       -3.3704273712       -0.3405265839
O            -2.1792686262       -2.1212215679        1.7973125535
H            -3.0479512174       -2.4345621682        1.5438415307
H            -1.5616347992       -2.4872895933        1.1409738383
O            -1.3031272890        0.4417362485        1.4439303914
H            -1.6451914208        1.1114626620        2.0338970710
H            -1.7357973681       -0.3942518276        1.6972266140
O             1.3462726463       -0.6634514716        0.9647933285
H             0.6259091877       -0.1249551472        1.3176984850
H             1.6622499116       -0.1650833679        0.1963114586
O            -1.0484880447       -0.0804382069       -1.4282194889
H            -0.9173496653       -1.0209082009       -1.2651557649
H            -1.2838413400        0.2656978435       -0.5588537905
    18
 Energy=    -45.6490240675561
O             1.6519874368        0.5252803656       -1.5556926399
H             1.8962227023        1.3767299386       -1.9158855180
H             0.6882487413        0.4478039435       -1.6714024447
O            -0.2075885026       -2.5753231281       -0.0849709565
H             0.4659798391       -1.9645506770        0.2955601420
H             0.2628628733       -3.3721471328       -0.3302079352
O            -2.1879045582       -2.1210410161        1.7906511799
H            -3.0549291813       -2.4292912044        1.5274704402
H            -1.5660271497       -2.4872866406        1.1385445788
O            -1.2990398361        0.4402415073        1.4484638223
H            -1.6394704683        1.1098929841        2.0406733667
H            -1.7354497845       -0.3949875062        1.7001113219
O             1.3508429553       -0.6605370550        0.9631220580
H             0.6305524210       -0.1240464792        1.3177901408
H             1.6630496148       -0.1620534945        0.1922530362
O            -1.0497870502       -0.0828606121       -1.4259866831
H            -0.9158627521       -1.0239695757       -1.2623408221
H            -1.2824572457        0.2634196068       -0.5550849089
    18
 Energy=    -45.6555489845965
O             1.6476570050        0.5276193801       -1.5603507132
H             1.8889697458        1.3798670600       -1.9221074689
H             0.6840620632        0.4469356564       -1.6750353932
O            -0.2033021281       -2.5763434683       -0.0778935122
H             0.4715826454       -1.9651705519        0.3003234591
H             0.2685959613       -3.3735612595       -0.3151189569
O            -2.1989899047       -2.1203924928        1.7813223744
H            -3.0652483756       -2.4173337426        1.5023404513
H            -1.5714001726       -2.4883741208        1.1361393508
O            -1.2931018521        0.4365432382        1.4553825375
H            -1.6320538026        1.1052885090        2.0498346739
H            -1.7335987022       -0.3977461344        1.7037876131
O             1.3547140956       -0.6574199585        0.9590594470
H             0.6369381334       -0.1203496345        1.3179262351
H             1.6643971789       -0.1587464921        0.1871678482
O            -1.0510296666       -0.0864006001       -1.4212423765
H            -0.9149125227       -1.0279797046       -1.2586370367
H            -1.2820496466        0.2588381403       -0.5498303542
    18
 Energy=    -45.6744355537898
O             1.6395842572        0.5362841010       -1.5653174432
H             1.8705725309        1.3858880876       -1.9381679288
H             0.6775944034        0.4412027589       -1.6814551194
O            -0.1882470941       -2.5786797470       -0.0574203036
H             0.4888499779       -1.9657408365        0.3145519470
H             0.2761027772       -3.3813475631       -0.2942720069
O            -2.2271856262       -2.1142446917        1.7574665013
H            -3.0837001257       -2.4070517122        1.4471614552
H            -1.5784202042       -2.4824995148        1.1334889961
O            -1.2802613651        0.4289072977        1.4744003948
H            -1.6107050892        1.1034467832        2.0665938443
H            -1.7418996605       -0.3967958934        1.7117737462
O             1.3658500345       -0.6522514949        0.9507813882
H             0.6491124374       -0.1182168684        1.3165151892
H             1.6633246525       -0.1541456830        0.1735269956
O            -1.0542533518       -0.0945852885       -1.4105856004
H            -0.9154868519       -1.0351206670       -1.2486096461
H            -1.2796016475        0.2502247566       -0.5373642315
    18
 Energy=    -45.6764239632487
O             1.6406358302        0.5358019893       -1.5637644457
H             1.8723663116        1.3852757077       -1.9368303575
H             0.6787898425        0.4413084743       -1.6807977305
O            -0.1893173289       -2.5780315794       -0.0599882591
H             0.4889955869       -1.9671524687        0.3136959509
H             0.2738339695       -3.3805222367       -0.2994896756
O            -2.2239304750       -2.1150496597        1.7591768584
H            -3.0809981184       -2.4148509369        1.4555037376
H            -1.5767700689       -2.4808600106        1.1322731568
O            -1.2820195615        0.4317767144        1.4718504664
H            -1.6112470028        1.1070095872        2.0639727850
H            -1.7447580480       -0.3932479028        1.7097140212
O             1.3648661031       -0.6533204218        0.9521895289
H             0.6472021651       -0.1201632447        1.3165607392
H             1.6634049604       -0.1556522281        0.1757230371
O            -1.0545215224       -0.0940544285       -1.4108590143
H            -0.9160812474       -1.0348094931       -1.2480422818
H            -1.2792213412        0.2518159631       -0.5378203384
    18
 Energy=    -45.6777294181093
O             1.6403227298        0.5362623137       -1.5638225103
H             1.8717697441        1.3855815248       -1.9375382758
H             0.6786070476        0.4411696109       -1.6811700835
O            -0.1886726733       -2.5778094406       -0.0595873321
H             0.4906837181       -1.9681815517        0.3143257301
H             0.2731533759       -3.3806589073       -0.3000598380
O            -2.2246154529       -2.1149791141        1.7577047544
H            -3.0812145669       -2.4178705487        1.4549379027
H            -1.5767588421       -2.4795691865        1.1307335424
O            -1.2818839846        0.4329761361        1.4717204634
H            -1.6096948605        1.1085185614        2.0643379851
H            -1.7464089120       -0.3911837222        1.7090557339
O             1.3655168652       -0.6535004214        0.9526623801
H             0.6470485760       -0.1208878572        1.3164126481
H             1.6638554744       -0.1559006718        0.1759873344
O            -1.0552428399       -0.0948956310       -1.4096742804
H            -0.9164766153       -1.0355425721       -1.2462493564
H            -1.2787587317        0.2517453018       -0.5367086188
    18
 Energy=    -45.6799927615804
O             1.6389797818        0.5374793270       -1.5650475336
H             1.8694805844        1.3867713752       -1.9399625756
H             0.6771447578        0.4410862673       -1.6825335426
O            -0.1866632790       -2.5776156639       -0.0570201365
H             0.4946477127       -1.9697627954        0.3161167422
H             0.2724894501       -3.3815363312       -0.2984715318
O            -2.2278994333       -2.1140328869        1.7529660614
H            -3.0830159204       -2.4199418334        1.4486192916
H            -1.5776071433       -2.4775038487        1.1276962963
O            -1.2808135435        0.4341956342        1.4726121533
H            -1.6059430243        1.1096268608        2.0667140078
H            -1.7478776082       -0.3885592623        1.7083850054
O             1.3676188983       -0.6531794094        0.9532536955
H             0.6476004869       -0.1215302958        1.3158019393
H             1.6652088839       -0.1556282234        0.1759478736
O            -1.0569117626       -0.0974696985       -1.4065677444
H            -0.9171794621       -1.0377066813       -1.2417966740
H            -1.2780293263        0.2505812887       -0.5336451471
    18
 Energy=    -45.6839715657156
O             1.6351362614        0.5395095109       -1.5696736879
H             1.8646571111        1.3889347451       -1.9445349123
H             0.6732443816        0.4422942720       -1.6850781625
O            -0.1835140659       -2.5780096408       -0.0502575281
H             0.5002553435       -1.9707145964        0.3187015774
H             0.2723065500       -3.3837861702       -0.2916298696
O            -2.2350412679       -2.1111300872        1.7442889164
H            -3.0873087223       -2.4124182652        1.4286942683
H            -1.5787993320       -2.4759400835        1.1258582098
O            -1.2782648460        0.4337175611        1.4745593857
H            -1.6008499795        1.1065332341        2.0730291289
H            -1.7450123231       -0.3897507498        1.7084699774
O             1.3718489346       -0.6512444856        0.9536680285
H             0.6492023156       -0.1213608570        1.3140833258
H             1.6685955999       -0.1534979924        0.1760102526
O            -1.0595895647       -0.1029553639       -1.4010422235
H            -0.9178715837       -1.0422863797       -1.2337563458
H            -1.2777647606        0.2473791720       -0.5283221631
    18
 Energy=    -45.6853288816093
O             1.6328218330        0.5401396519       -1.5722799562
H             1.8618101298        1.3897935996       -1.9467981335
H             0.6707872077        0.4432900540       -1.6858338191
O            -0.1823583530       -2.5788755362       -0.0469521962
H             0.5018273767       -1.9706623176        0.3195917480
H             0.2728570432       -3.3853102469       -0.2875341866
O            -2.2383126392       -2.1092654776        1.7404097557
H            -3.0892074519       -2.4048334181        1.4164057697
H            -1.5788121156       -2.4758499686        1.1266018969
O            -1.2765889085        0.4325281806        1.4758468781
H            -1.5989351699        1.1036138762        2.0763699852
H            -1.7425481849       -0.3920919790        1.7082553729
O             1.3738459790       -0.6496795047        0.9535691989
H             0.6501776668       -0.1209269957        1.3132829245
H             1.6705766079       -0.1519956049        0.1762485728
O            -1.0606383011       -0.1058576743       -1.3983991038
H            -0.9175867054       -1.0447715979       -1.2295976185
H            -1.2784859597        0.2460287852       -0.5261189098
    18
 Energy=    -45.6887816970615
O             1.6267009247        0.5420535649       -1.5730693379
H             1.8519367317        1.3900929418       -1.9532820244
H             0.6648350110        0.4418450220       -1.6834407316
O            -0.1782029549       -2.5827559329       -0.0441377657
H             0.5057333862       -1.9743522698        0.3223557829
H             0.2765771176       -3.3897561867       -0.2834097258
O            -2.2423658573       -2.1045117331        1.7307537095
H            -3.0905495871       -2.3914061191        1.3921703098
H            -1.5768263191       -2.4733842493        1.1248116352
O            -1.2711909302        0.4324000836        1.4789543178
H            -1.5925467816        1.1018871532        2.0820057414
H            -1.7437749100       -0.3908487027        1.7036025820
O             1.3765388516       -0.6484209863        0.9537665888
H             0.6527546961       -0.1196765982        1.3135555370
H             1.6735753177       -0.1505918865        0.1767018030
O            -1.0646240946       -0.1130901279       -1.3913438623
H            -0.9145044769       -1.0496891439       -1.2149497194
H            -1.2828360717        0.2454789956       -0.5219766619
    18
 Energy=    -45.6914251968022
O             1.6217934030        0.5418147120       -1.5676292961
H             1.8443674400        1.3870147542       -1.9556574559
H             0.6601147121        0.4372716790       -1.6775914472
O            -0.1732026256       -2.5858688127       -0.0453533146
H             0.5094187279       -1.9772299802        0.3233327909
H             0.2830309288       -3.3909096398       -0.2885505799
O            -2.2390988969       -2.1017464048        1.7260920728
H            -3.0885970027       -2.3833506513        1.3861945989
H            -1.5755950274       -2.4724782518        1.1192633175
O            -1.2724387835        0.4389180584        1.4773288201
H            -1.5925657811        1.1059864663        2.0835202580
H            -1.7394583830       -0.3868806014        1.7041513982
O             1.3752230510       -0.6515452807        0.9553683745
H             0.6527234012       -0.1217607777        1.3160444942
H             1.6713194765       -0.1534003871        0.1781130005
O            -1.0661511476       -0.1159617222       -1.3900757924
H            -0.9136946622       -1.0512161179       -1.2087086171
H            -1.2859587768        0.2466167837       -0.5227744419
    18
 Energy=    -45.6932513756026
O             1.6154524357        0.5345934202       -1.5670952218
H             1.8384240431        1.3803351422       -1.9537004048
H             0.6535896621        0.4310641981       -1.6767058379
O            -0.1675436356       -2.5851987772       -0.0479490077
H             0.5133232772       -1.9762586483        0.3234643428
H             0.2911118110       -3.3877535356       -0.2946912950
O            -2.2380284842       -2.0979582840        1.7186289358
H            -3.0865814314       -2.3731595314        1.3712780487
H            -1.5724663160       -2.4703459423        1.1151524961
O            -1.2676536639        0.4419366223        1.4823763680
H            -1.5915221178        1.1105268668        2.0849372401
H            -1.7374423010       -0.3829142951        1.7064457348
O             1.3767090502       -0.6505174053        0.9604762188
H             0.6541441622       -0.1216284868        1.3224269585
H             1.6699963792       -0.1524112114        0.1820700107
O            -1.0734649175       -0.1207851466       -1.3876704565
H            -0.9183476855       -1.0558061265       -1.2072706487
H            -1.2884702138        0.2415549660       -0.5191053025
