    18
Energy=    -44.8449665128136    
O          1.155529146        0.9564676608        -1.364046165    
H          1.709403160         1.105912659        -2.129354853    
H         0.3775250730        0.4697780560        -1.686628047    
O        -0.8293176216E-02    -2.583600692        0.5747820401E-01
H         0.5850300246        -1.882054159        0.4328907929    
H         0.4441560245        -3.418601675        0.1655037368    
O         -2.361522611        -1.369415568        0.7697999122    
H         -3.155210206        -1.882644130        0.9195469355    
H         -1.644037301        -2.009130021        0.6181525712    
O        -0.9043386213        0.4283889219         2.397643917    
H         -1.096536299        0.3740081296         3.333540927    
H         -1.562395799       -0.1308395411         1.959293805    
O          1.342503862       -0.5306845036        0.9915295969    
H         0.7108972361       -0.8426354306E-01     1.576012133    
H          1.456639400        0.6839330644E-01    0.2364488267    
O         -1.010194822       -0.7163602273        -1.883856115    
H        -0.6330773661        -1.516778368        -1.496205611    
H         -1.734847670       -0.5133024803        -1.284682389    
    18
Energy=    -44.8449079648757    
O          1.156460374        0.9556519208        -1.364615001    
H          1.711408078         1.102643036        -2.129635557    
H         0.3782254564        0.4692369841        -1.687064356    
O        -0.8115309572E-02    -2.582846227        0.5639104199E-01
H         0.5848484084        -1.881359046        0.4325567866    
H         0.4456239681        -3.417475002        0.1617454061    
O         -2.361369230        -1.370602663        0.7713455736    
H         -3.154761917        -1.884243438        0.9212335204    
H         -1.643771195        -2.009958687        0.6187912130    
O        -0.9051863065        0.4287069638         2.397781527    
H         -1.097270231        0.3754647827         3.333760389    
H         -1.562999081       -0.1314178999         1.960185391    
O          1.341694493       -0.5303665171        0.9920498606    
H         0.7098458297       -0.8394033279E-01     1.576272828    
H          1.456113388        0.6858826761E-01    0.2369091068    
O         -1.010249578       -0.7157752621        -1.884004683    
H        -0.6340965835        -1.515960402        -1.494875725    
H         -1.735170510       -0.5110726520        -1.285759142    
    18
Energy=    -44.8438960257191    
O          1.163487333        0.9557365824        -1.365181736    
H          1.718018610         1.097096767        -2.131598365    
H         0.3814927352        0.4734716427        -1.684598690    
O        -0.8086113382E-02    -2.582038851        0.5502643432E-01
H         0.5855837276        -1.881042606        0.4310868439    
H         0.4433609487        -3.417608475        0.1627574943    
O         -2.364505652        -1.380896350        0.7754842046    
H         -3.155171569        -1.898723843        0.9252669580    
H         -1.644014063        -2.016264963        0.6193182089    
O        -0.9081214587        0.4290841876         2.387783337    
H         -1.098099685        0.3859484939         3.324792437    
H         -1.566083268       -0.1364289901         1.957391754    
O          1.343434243       -0.5307922890        0.9916834447    
H         0.7080270973       -0.8365967869E-01     1.571703307    
H          1.461412646        0.6732712709E-01    0.2364332589    
O         -1.013321335       -0.7059673619        -1.876488193    
H        -0.6382793134        -1.507988728        -1.490127407    
H         -1.737904830       -0.5019788389        -1.277665113    
    18
Energy=    -44.8426946576934    
O          1.169296105        0.9570079549        -1.365216205    
H          1.720135121         1.105678618        -2.132901547    
H         0.3862119145        0.4768961575        -1.685274574    
O        -0.9760252533E-02    -2.584687786        0.5768781097E-01
H         0.5839623956        -1.882908609        0.4322497890    
H         0.4454792679        -3.418758371        0.1609464512    
O         -2.366863567        -1.385205905        0.7784933528    
H         -3.157522233        -1.902917775        0.9289148207    
H         -1.646442415        -2.021017261        0.6237132345    
O        -0.9105617993        0.4309072329         2.382070394    
H         -1.098181823        0.3887456498         3.319367323    
H         -1.568753571       -0.1364867658         1.954502415    
O          1.342991571       -0.5331722886        0.9892039861    
H         0.7088287357       -0.8377318778E-01     1.568487095    
H          1.463181298        0.6379444628E-01    0.2335660782    
O         -1.012154883       -0.7031203167        -1.871702686    
H        -0.6403489041        -1.506950102        -1.486090403    
H         -1.738266907       -0.4987578666        -1.274949157    
    18
Energy=    -44.8415144389961    
O          1.171229857        0.9586204136        -1.363025208    
H          1.717502665         1.112562354        -2.132922800    
H         0.3872642084        0.4787132074        -1.680964718    
O        -0.1090563462E-01    -2.587667838        0.5835042297E-01
H         0.5839805715        -1.887072125        0.4329875328    
H         0.4455499443        -3.421962066        0.1545768790    
O         -2.368489550        -1.388755459        0.7815483241    
H         -3.158760005        -1.906236339        0.9343315933    
H         -1.648601881        -2.024266131        0.6243307062    
O        -0.9090633466        0.4318319157         2.376794857    
H         -1.104390141        0.4010796697         3.313092520    
H         -1.567411390       -0.1360870634         1.950134641    
O          1.345050578       -0.5362976968        0.9883719559    
H         0.7101961375       -0.8709970770E-01     1.567286843    
H          1.466141739        0.6162531956E-01    0.2334439928    
O         -1.011924222       -0.7009443224        -1.869204781    
H        -0.6386240114        -1.504687367        -1.484806137    
H         -1.737515465       -0.4980829397        -1.271258445    
    18
Energy=    -44.8394210074623    
O          1.172371409        0.9599529387        -1.361663023    
H          1.712785940         1.119674093        -2.134506538    
H         0.3867000887        0.4811810336        -1.677536169    
O        -0.1213249520E-01    -2.590706876        0.5571347738E-01
H         0.5841155474        -1.891907212        0.4310476630    
H         0.4443094945        -3.425572331        0.1464108017    
O         -2.370304950        -1.392386417        0.7812904996    
H         -3.160128220        -1.907735310        0.9436120310    
H         -1.651775177        -2.030113609        0.6267912680    
O        -0.9099207758        0.4357257872         2.369780648    
H         -1.108344351        0.4112617030         3.305500641    
H         -1.566929428       -0.1348866033         1.944735187    
O          1.345246970       -0.5400516069        0.9896648990    
H         0.7099845785       -0.8844227099E-01     1.566122418    
H          1.471364150        0.5801651727E-01    0.2359444853    
O         -1.007521618       -0.6979236278        -1.863115197    
H        -0.6340728126        -1.502655952        -1.480845043    
H         -1.734518296       -0.4981564312        -1.265879870    
    18
Energy=    -44.8372992570186    
O          1.172985652        0.9604913557        -1.357938002    
H          1.709061639         1.123296718        -2.133070274    
H         0.3860428912        0.4825860315        -1.671742919    
O        -0.1123123053E-01    -2.592150233        0.5139935587E-01
H         0.5840412034        -1.894106215        0.4295502206    
H         0.4452266100        -3.427034837        0.1418243163    
O         -2.368140784        -1.393312994        0.7817633526    
H         -3.158072816        -1.906718372        0.9495663867    
H         -1.651299500        -2.032145352        0.6243530591    
O        -0.9131256467        0.4408803862         2.362172918    
H         -1.107416858        0.4182931368         3.299021769    
H         -1.569465335       -0.1335260678         1.941046386    
O          1.345479084       -0.5440173434        0.9913706034    
H         0.7100769524       -0.9120510209E-01     1.566952772    
H          1.472959125        0.5328290057E-01    0.2372787832    
O         -1.008573522       -0.6983626988        -1.860535847    
H        -0.6326350023        -1.501838951        -1.477909898    
H         -1.734682406       -0.4991385370        -1.262034804    
    18
Energy=    -44.8359538949185    
O          1.170456519        0.9605479268        -1.352321321    
H          1.705631441         1.125450534        -2.127935667    
H         0.3831446271        0.4839236962        -1.666905136    
O        -0.1019106915E-01    -2.593003661        0.4827289816E-01
H         0.5854944126        -1.896329831        0.4280312316    
H         0.4445924680        -3.428703267        0.1382084439    
O         -2.366303631        -1.393815222        0.7814566964    
H         -3.154716687        -1.908368620        0.9514483840    
H         -1.649697710        -2.032147629        0.6223681857    
O        -0.9105307955        0.4407611899         2.357477705    
H         -1.113442180        0.4361189361         3.292827620    
H         -1.568163638       -0.1349647869         1.939972943    
O          1.349121018       -0.5488270406        0.9925300362    
H         0.7144494378       -0.9611213998E-01     1.568424877    
H          1.473591943        0.5031338880E-01    0.2394738406    
O         -1.010776590       -0.6973612970        -1.859886810    
H        -0.6343595063        -1.501509427        -1.479482181    
H         -1.737070005       -0.5006989244        -1.260893568    
    18
Energy=    -44.8333392230796    
O          1.167728902        0.9595053546        -1.345191386    
H          1.701569986         1.128386877        -2.120768925    
H         0.3792199138        0.4851686786        -1.660337053    
O        -0.9340174355E-02    -2.594404112        0.4597467657E-01
H         0.5879190606        -1.898583993        0.4261838687    
H         0.4453131334        -3.430698576        0.1328412560    
O         -2.363868299        -1.394096127        0.7809363297    
H         -3.150672652        -1.909834083        0.9545551934    
H         -1.646553262        -2.031317878        0.6194804206    
O        -0.9082468035        0.4422627795         2.350843415    
H         -1.118862036        0.4558302261         3.284685951    
H         -1.566402293       -0.1360524937         1.937744491    
O          1.352101823       -0.5541665700        0.9939313154    
H         0.7160889429       -0.1028394537         1.569431627    
H          1.475716280        0.4603265992E-01    0.2413913767    
O         -1.012689377       -0.6950472494        -1.857614638    
H        -0.6368837252        -1.501865994        -1.481835256    
H         -1.740909363       -0.5030062214        -1.259184485    
    18
Energy=    -44.8310962156241    
O          1.167051649        0.9586498040        -1.343162412    
H          1.700371756         1.129457385        -2.118377088    
H         0.3777626038        0.4855748611        -1.658219645    
O        -0.9122983429E-02    -2.594833358        0.4622092777E-01
H         0.5887769361        -1.899284890        0.4253626561    
H         0.4460179262        -3.430973123        0.1308347714    
O         -2.363002667        -1.393957033        0.7810372743    
H         -3.149802772        -1.909763186        0.9560035559    
H         -1.645014434        -2.030684786        0.6178042066    
O        -0.9080925514        0.4429353608         2.348641446    
H         -1.120046539        0.4614526049         3.281924526    
H         -1.565883469       -0.1366072909         1.937033326    
O          1.352616786       -0.5552820815        0.9941366089    
H         0.7150098574       -0.1056195223         1.569900446    
H          1.477211953        0.4449161347E-01    0.2411646339    
O         -1.012454590       -0.6938223377        -1.855806653    
H        -0.6377016244        -1.502557685        -1.482751531    
H         -1.742467784       -0.5039025112        -1.258678871    
    18
Energy=    -44.8298131913803    
O          1.166535735        0.9578310798        -1.340297220    
H          1.699191683         1.130360028        -2.115684654    
H         0.3768907109        0.4854142657        -1.655705133    
O        -0.8762511466E-02    -2.595696642        0.4556929863E-01
H         0.5894338070        -1.900157113        0.4253285854    
H         0.4473381522        -3.431621073        0.1286608784    
O         -2.362133351        -1.394419741        0.7804613372    
H         -3.148189468        -1.910603787        0.9571163517    
H         -1.643516960        -2.030536935        0.6181732718    
O        -0.9083152545        0.4464115176         2.345765717    
H         -1.118839838        0.4634880053         3.278969054    
H         -1.565272108       -0.1341013934         1.934368662    
O          1.351903715       -0.5568687043        0.9949221015    
H         0.7129734517       -0.1069991194         1.569398845    
H          1.478303385        0.4247301379E-01    0.2421419333    
O         -1.013872168       -0.6932213558        -1.854561528    
H        -0.6388785917        -1.502014473        -1.483674842    
H         -1.743560336       -0.5044637481        -1.257884481    
    18
Energy=    -44.8247606428021    
O          1.161961647        0.9574290669        -1.327341058    
H          1.692897060         1.133994676        -2.102799090    
H         0.3728797137        0.4852912581        -1.644273239    
O        -0.5684009091E-02    -2.598743906        0.3956590160E-01
H         0.5919128482        -1.905378994        0.4237197673    
H         0.4490483602        -3.435469218        0.1204058731    
O         -2.359003191        -1.396631224        0.7763353506    
H         -3.140886890        -1.916921456        0.9601110152    
H         -1.637447555        -2.031144778        0.6212136834    
O        -0.9031892967        0.4539133621         2.335050517    
H         -1.122298069        0.4867303775         3.265724471    
H         -1.561737707       -0.1264174400         1.925657092    
O          1.352643320       -0.5663214096        0.9990586427    
H         0.7142880380       -0.1126887522         1.570620673    
H          1.481046285        0.3423700671E-01    0.2473506052    
O         -1.022792917       -0.6914082031        -1.856357962    
H        -0.6430705643        -1.499084646        -1.487306740    
H         -1.749337019       -0.5061118947        -1.253667324    
    18
Energy=    -44.8218030515449    
O          1.157485010        0.9581754430        -1.321963300    
H          1.689904062         1.135305947        -2.096417592    
H         0.3684966494        0.4867598629        -1.640829427    
O        -0.5097992288E-02    -2.599956103        0.3483451345E-01
H         0.5932282317        -1.908810774        0.4215235481    
H         0.4465503916        -3.438078174        0.1179160086    
O         -2.356910640        -1.400432981        0.7780618921    
H         -3.139074550        -1.921172874        0.9590085590    
H         -1.634611028        -2.033305341        0.6204327091    
O        -0.8980011103        0.4537302113         2.332224465    
H         -1.130259139        0.5059448215         3.259465453    
H         -1.559719796       -0.1226183766         1.922828922    
O          1.357460418       -0.5696524576         1.001140700    
H         0.7227651115       -0.1167895394         1.577941304    
H          1.482151661        0.3059326090E-01    0.2490477591    
O         -1.026020445       -0.6900388823        -1.857714911    
H        -0.6452875922        -1.498529411        -1.490541997    
H         -1.751829187       -0.5058508087        -1.253890428    
    18
Energy=    -44.8197036872280    
O          1.155665068        0.9572742674        -1.319221208    
H          1.688549134         1.135767988        -2.093001708    
H         0.3661999277        0.4876469524        -1.639440153    
O        -0.4365053226E-02    -2.600718281        0.3177472386E-01
H         0.5928442445        -1.910968395        0.4218354240    
H         0.4461185555        -3.439676144        0.1163740307    
O         -2.355277601        -1.402881803        0.7804917388    
H         -3.137944810        -1.924015275        0.9580233957    
H         -1.633298704        -2.035676043        0.6207180888    
O        -0.8981399236        0.4599886082         2.329479201    
H         -1.130118250        0.5081942125         3.256613129    
H         -1.558649869       -0.1165004513         1.918447850    
O          1.359125257       -0.5715446983         1.003181450    
H         0.7252255273       -0.1183187740         1.580265433    
H          1.482391289        0.2921255735E-01    0.2510166048    
O         -1.026951016       -0.6886841262        -1.857446867    
H        -0.6471853895        -1.498517849        -1.492216577    
H         -1.752958330       -0.5053089198        -1.253826377    
    18
Energy=    -44.8180324836315    
O          1.156165002        0.9560534808        -1.318452464    
H          1.688525902         1.135801285        -2.092246218    
H         0.3661634068        0.4873818939        -1.639018542    
O        -0.4005992500E-02    -2.601563359        0.3180961309E-01
H         0.5923693466        -1.911314579        0.4222214879    
H         0.4473155159        -3.440041177        0.1154699903    
O         -2.354349453        -1.403472968        0.7817735697    
H         -3.137268239        -1.924561725        0.9580595766    
H         -1.632961383        -2.036855477        0.6213475172    
O        -0.8998674064        0.4655453339         2.327221238    
H         -1.125336899        0.5010587416         3.256439345    
H         -1.559480646       -0.1113433105         1.914757910    
O          1.357450626       -0.5717116098         1.004644765    
H         0.7224213274       -0.1165719391         1.578879190    
H          1.482149482        0.2834991613E-01    0.2522814164    
O         -1.026921838       -0.6877971123        -1.856585221    
H        -0.6479803526        -1.498597962        -1.492230917    
H         -1.753158347       -0.5050856075        -1.253304079    
    18
Energy=    -44.8167755240044    
O          1.154404481        0.9569918668        -1.317609296    
H          1.687794833         1.135908652        -2.091056522    
H         0.3651881867        0.4877633136        -1.638642241    
O        -0.4691329613E-02    -2.601600198        0.3254362730E-01
H         0.5941624376        -1.911415584        0.4196381023    
H         0.4459863630        -3.440490156        0.1150997072    
O         -2.354045426        -1.404777472        0.7826608211    
H         -3.137220892        -1.926227904        0.9571788273    
H         -1.632713142        -2.037623107        0.6205938256    
O        -0.8993484941        0.4666473890         2.327509612    
H         -1.129073252        0.5071856183         3.254866887    
H         -1.557601445       -0.1114442813         1.915007732    
O          1.359211973       -0.5737163914         1.004907244    
H         0.7265392975       -0.1188695174         1.581724350    
H          1.482201954        0.2750089886E-01    0.2529732711    
O         -1.027568676       -0.6877392512        -1.857526425    
H        -0.6483393257        -1.497944288        -1.493238977    
H         -1.753657491       -0.5048757643        -1.253562368    
    18
Energy=    -44.8130792014648    
O          1.151419739        0.9592076433        -1.316525966    
H          1.686445356         1.136087454        -2.089409699    
H         0.3631780122        0.4889127169        -1.638305335    
O        -0.4990995512E-02    -2.600716997        0.3096724789E-01
H         0.5958959270        -1.912271508        0.4177958362    
H         0.4426471347        -3.440966633        0.1153296924    
O         -2.354485239        -1.406389917        0.7828089778    
H         -3.137553727        -1.929021162        0.9555435994    
H         -1.632546383        -2.038161226        0.6198926260    
O        -0.8983339382        0.4665027489         2.329199660    
H         -1.138301799        0.5223540377         3.253142132    
H         -1.553078714       -0.1159698288         1.917315092    
O          1.364444845       -0.5768185537         1.003729916    
H         0.7356854010       -0.1252129443         1.586986872    
H          1.482533518        0.2781330991E-01    0.2535633128    
O         -1.029345884       -0.6881418035        -1.859814806    
H        -0.6484274114        -1.497328647        -1.494674749    
H         -1.753955787       -0.5046048662        -1.254476230    
    18
Energy=    -44.8075598631417    
O          1.148664471        0.9614603628        -1.315942118    
H          1.685082301         1.136312489        -2.088114290    
H         0.3608784712        0.4905760915        -1.638370413    
O        -0.4557785873E-02    -2.599379431        0.2728705460E-01
H         0.5962961583        -1.913276144        0.4180298889    
H         0.4387278557        -3.441486660        0.1162274545    
O         -2.355718941        -1.407068876        0.7819951381    
H         -3.137663040        -1.930648637        0.9541456016    
H         -1.632640996        -2.037898370        0.6189519055    
O        -0.8940498655        0.4607714962         2.331816196    
H         -1.150895627        0.5410048812         3.250370819    
H         -1.549549506       -0.1231115636         1.923692614    
O          1.371049783       -0.5791140204         1.001675545    
H         0.7459964827       -0.1315244460         1.591535652    
H          1.482572153        0.2950765113E-01    0.2536191023    
O         -1.030325386       -0.6889189897        -1.862014167    
H        -0.6484485387        -1.497207879        -1.496054668    
H         -1.754187936       -0.5047241287        -1.255783137    
    18
Energy=    -44.8063649262345    
O          1.147407246        0.9623530089        -1.315810257    
H          1.684651636         1.136465375        -2.087824586    
H         0.3600610000        0.4912166724        -1.638514243    
O        -0.4787664872E-02    -2.598937176        0.2667397887E-01
H         0.5968015802        -1.913404840        0.4172785124    
H         0.4373758561        -3.441571285        0.1166845633    
O         -2.355775093        -1.406667487        0.7814937916    
H         -3.137875433        -1.930885961        0.9539005475    
H         -1.632942157        -2.037199621        0.6178978485    
O        -0.8910873699        0.4536435104         2.334874416    
H         -1.156416228        0.5519312535         3.249245977    
H         -1.549284929       -0.1274339790         1.925773979    
O          1.373423839       -0.5796189992         1.000852855    
H         0.7500843404       -0.1329991722         1.593215168    
H          1.482517936        0.2984587962E-01    0.2530946111    
O         -1.030213320       -0.6889504474        -1.862486343    
H        -0.6483608580        -1.497384460        -1.496684478    
H         -1.754350327       -0.5051284465        -1.256598163    
    18
Energy=    -44.8005630507027    
O          1.147171451        0.9629688790        -1.315938020    
H          1.684230842         1.136477790        -2.087368978    
H         0.3593926458        0.4914371522        -1.638706320    
O        -0.4916785102E-02    -2.598835461        0.2649482128E-01
H         0.5971316099        -1.913501897        0.4166891184    
H         0.4366173551        -3.441560339        0.1168862451    
O         -2.356868055        -1.406805577        0.7817030192    
H         -3.137125174        -1.930364274        0.9535741760    
H         -1.632811071        -2.037161697        0.6171220779    
O        -0.8894606421        0.4497873035         2.336022559    
H         -1.159119444        0.5576717545         3.249393869    
H         -1.549348749       -0.1297310993         1.926391346    
O          1.374500145       -0.5796017845         1.000579732    
H         0.7522427740       -0.1335514234         1.594092333    
H          1.482461006        0.2982197371E-01    0.2528659100    
O         -1.029933205       -0.6889824581        -1.862716139    
H        -0.6483714084        -1.497468342        -1.497054905    
H         -1.754563239       -0.5053266761        -1.256962668    
    18
Energy=    -44.7971012768299    
O          1.144731846        0.9646129889        -1.315776592    
H          1.683556620         1.136818840        -2.087032038    
H         0.3579998928        0.4926093883        -1.638955058    
O        -0.5233876158E-02    -2.598024028        0.2578053727E-01
H         0.5980032301        -1.913303615        0.4150719005    
H         0.4341778960        -3.441866699        0.1177370930    
O         -2.356665715        -1.405771884        0.7801907123    
H         -3.137870896        -1.930529151        0.9534912207    
H         -1.633268679        -2.035463012        0.6149227690    
O        -0.8817973404        0.4339948345         2.341860690    
H         -1.171492957        0.5769630849         3.243414100    
H         -1.549127877       -0.1357032215         1.935022668    
O          1.378749964       -0.5805773360        0.9989486842    
H         0.7597696168       -0.1359043647         1.596953520    
H          1.482250041        0.3049229365E-01    0.2517310100    
O         -1.029553044       -0.6889907409        -1.863448460    
H        -0.6481210807        -1.497857930        -1.498237664    
H         -1.754877587       -0.5062256233        -1.258606916    
    18
Energy=    -44.7834212235565    
O          1.142476903        0.9667416510        -1.315862614    
H          1.682689065         1.137141447        -2.086574919    
H         0.3565384570        0.4935715371        -1.639309312    
O        -0.5897284350E-02    -2.597193741        0.2553978775E-01
H         0.5991987533        -1.913011178        0.4130101384    
H         0.4319442873        -3.441724366        0.1187883691    
O         -2.357726801        -1.404426834        0.7782508289    
H         -3.137915989        -1.930077107        0.9534214098    
H         -1.633590896        -2.033231970        0.6124972292    
O        -0.8732636240        0.4144955192         2.351044627    
H         -1.184647507        0.6013759381         3.237328922    
H         -1.549537304       -0.1448097464         1.942374415    
O          1.382992689       -0.5813569803        0.9967980820    
H         0.7676975016       -0.1385662221         1.599788127    
H          1.482235277        0.3097037136E-01    0.2500637952    
O         -1.028960847       -0.6890466588        -1.864220848    
H        -0.6476558956        -1.498232785        -1.499519869    
H         -1.755346732       -0.5073450492        -1.260349992    
    18
Energy=    -44.7797611607862    
O          1.142119481        0.9670250557        -1.315854951    
H          1.682577766         1.137192158        -2.086522063    
H         0.3563294839        0.4937241668        -1.639361995    
O        -0.6025830918E-02    -2.597083425        0.2552001491E-01
H         0.5993998853        -1.912974232        0.4126737942    
H         0.4316168172        -3.441718975        0.1189347308    
O         -2.357766670        -1.404234537        0.7780099254    
H         -3.137978697        -1.930040617        0.9534151799    
H         -1.633666093        -2.032913410        0.6121166416    
O        -0.8719290027        0.4117921770         2.352282869    
H         -1.186506033        0.6048936737         3.236646277    
H         -1.549726026       -0.1462248164         1.943266533    
O          1.383592026       -0.5814414807        0.9965325519    
H         0.7688354281       -0.1388935623         1.600231918    
H          1.482233170        0.3101434757E-01    0.2498107993    
O         -1.028870352       -0.6890310090        -1.864309516    
H        -0.6475924495        -1.498304651        -1.499709324    
H         -1.755412849       -0.5075070389        -1.260615209    
    18
Energy=    -44.7745983733293    
O          1.142764997        0.9662355966        -1.315782659    
H          1.682839698         1.137089857        -2.086573717    
H         0.3566526230        0.4935173919        -1.639306302    
O        -0.5964525086E-02    -2.597462534        0.2569683299E-01
H         0.5992023950        -1.913122672        0.4129734148    
H         0.4321506697        -3.441933880        0.1185234025    
O         -2.357104803        -1.404860832        0.7791747671    
H         -3.138045310        -1.930094833        0.9533719298    
H         -1.633492618        -2.033944682        0.6125005311    
O        -0.8736498595        0.4188361197         2.347669533    
H         -1.182494756        0.5963804759         3.239805764    
H         -1.550321054       -0.1432489373         1.940780342    
O          1.382215746       -0.5809453974        0.9976042044    
H         0.7663398294       -0.1375068639         1.599751482    
H          1.482201267        0.3063293004E-01    0.2503137427    
O         -1.028914817       -0.6888938467        -1.863899434    
H        -0.6478211657        -1.498292485        -1.499390878    
H         -1.755328263       -0.5071115820        -1.260144778    
    18
Energy=    -44.7709788541193    
O          1.140915840        0.9683252545        -1.315969740    
H          1.682078684         1.137367271        -2.086313752    
H         0.3556272305        0.4941836688        -1.639520526    
O        -0.6398111161E-02    -2.596553412        0.2529803161E-01
H         0.6000183800        -1.912743996        0.4117814152    
H         0.4305409428        -3.441489413        0.1196045288    
O         -2.358729109        -1.403157896        0.7765278636    
H         -3.137925949        -1.929890120        0.9534135526    
H         -1.633846209        -2.031481652        0.6110237159    
O        -0.8678660649        0.4003473130         2.359466048    
H         -1.193460154        0.6196988110         3.232502083    
H         -1.549754299       -0.1521436698         1.946654123    
O          1.386067118       -0.5821314843        0.9949814842    
H         0.7732225649       -0.1407611883         1.601551709    
H          1.482266327        0.3146874175E-01    0.2488316528    
O         -1.028628789       -0.6891589118        -1.864859863    
H        -0.6472726776        -1.498417613        -1.500368409    
H         -1.755625671       -0.5081878784        -1.261535741    
    18
Energy=    -44.7676797494387    
O          1.140461138        0.9688507706        -1.316017443    
H          1.681892405         1.137436628        -2.086257769    
H         0.3553827259        0.4943423644        -1.639568954    
O        -0.6485305399E-02    -2.596316678        0.2519213387E-01
H         0.6002001459        -1.912647725        0.4115128040    
H         0.4301509899        -3.441368459        0.1198770981    
O         -2.359147493        -1.402730502        0.7758276725    
H         -3.137893247        -1.929844211        0.9534302885    
H         -1.633941435        -2.030842721        0.6106876163    
O        -0.8665378315        0.3956869401         2.362500361    
H         -1.196173918        0.6254830978         3.230535579    
H         -1.549519777       -0.1542849316         1.948199578    
O          1.387020074       -0.5824412311        0.9943056506    
H         0.7749327412       -0.1416117507         1.601963002    
H          1.482283924        0.3169373665E-01    0.2484703624    
O         -1.028569629       -0.6892340901        -1.865111237    
H        -0.6471305136        -1.498441167        -1.500604233    
H         -1.755694940       -0.5084562453        -1.261874333    
    18
Energy=    -44.7552923671571    
O          1.139318434        0.9702573348        -1.316178824    
H          1.681380446         1.137611501        -2.086081775    
H         0.3547347827        0.4947415687        -1.639694856    
O        -0.6693538816E-02    -2.595700613        0.2489134813E-01
H         0.6006587796        -1.912368231        0.4108558960    
H         0.4291351376        -3.441049444        0.1205947849    
O         -2.360415535        -1.401593100        0.7739574408    
H         -3.137746382        -1.929672765        0.9534738916    
H         -1.634101829        -2.029205532        0.6098217301    
O        -0.8630306307        0.3835802503         2.370747385    
H         -1.203323351        0.6404080245         3.224811735    
H         -1.548903156       -0.1597766170         1.952587458    
O          1.389540109       -0.5832898707        0.9924839482    
H         0.7793965369       -0.1438817837         1.603027913    
H          1.482332269        0.3231197125E-01    0.2475285369    
O         -1.028416442       -0.6894623474        -1.865788987    
H        -0.6467527836        -1.498482336        -1.501221637    
H         -1.755882792       -0.5091541852        -1.262747809    
    18
Energy=    -44.7284751948689    
O          1.136875447        0.9729429240        -1.316332123    
H          1.680458624         1.137981559        -2.085865022    
H         0.3534860096        0.4955754217        -1.639962422    
O        -0.7128787081E-02    -2.594392295        0.2446394572E-01
H         0.6015876766        -1.912073768        0.4093085882    
H         0.4271257516        -3.440290698        0.1220220395    
O         -2.362242816        -1.399441631        0.7704525315    
H         -3.137525301        -1.929573562        0.9534871200    
H         -1.635035546        -2.025668670        0.6081316550    
O        -0.8585138066        0.3582241031         2.386436500    
H         -1.216224089        0.6720409198         3.216725246    
H         -1.546493276       -0.1713623083         1.958448099    
O          1.394402027       -0.5847970347        0.9890662035    
H         0.7883974706       -0.1482856808         1.605031500    
H          1.482409504        0.3339332657E-01    0.2456772348    
O         -1.028088875       -0.6897706219        -1.867085950    
H        -0.6460451256        -1.498629600        -1.502425605    
H         -1.756214834       -0.5105985588        -1.264511363    
    18
Energy=    -44.7228099176182    
O          1.136827618        0.9730080988        -1.316338780    
H          1.680425838         1.137986753        -2.085843676    
H         0.3534432152        0.4955949649        -1.639978671    
O        -0.7148767141E-02    -2.594357430        0.2447780197E-01
H         0.6016218921        -1.912103131        0.4092291437    
H         0.4270742710        -3.440253664        0.1220559680    
O         -2.362309766        -1.399384153        0.7704392890    
H         -3.137469702        -1.929564989        0.9534615147    
H         -1.635081305        -2.025606335        0.6080712368    
O        -0.8586959046        0.3572486775         2.386405000    
H         -1.216462250        0.6732147373         3.217282250    
H         -1.546213487       -0.1716926973         1.958201852    
O          1.394515370       -0.5848241034        0.9890114911    
H         0.7886226558       -0.1483525692         1.605091426    
H          1.482408452        0.3340174940E-01    0.2456244742    
O         -1.028056568       -0.6897725688        -1.867109983    
H        -0.6460424217        -1.498630281        -1.502460132    
H         -1.756229087       -0.5106392335        -1.264552029    
    18
Energy=    -44.7190068119357    
O          1.134623532        0.9756533791        -1.316594391    
H          1.679572097         1.138345507        -2.085690331    
H         0.3523639561        0.4963143386        -1.640128514    
O        -0.7294937636E-02    -2.593133651        0.2376912967E-01
H         0.6022365301        -1.911383144        0.4083756152    
H         0.4252210620        -3.439716787        0.1234103382    
O         -2.364478043        -1.397378902        0.7662658095    
H         -3.137517821        -1.929299815        0.9537473633    
H         -1.635355339        -2.022177244        0.6067520383    
O        -0.8512612848        0.3357468835         2.403304017    
H         -1.230666506        0.6986298205         3.201987332    
H         -1.545146253       -0.1806080348         1.969946190    
O          1.399152523       -0.5864979859        0.9853739581    
H         0.7969765546       -0.1530966253         1.606785222    
H          1.482525840        0.3475201537E-01    0.2439549243    
O         -1.027980715       -0.6902806414        -1.868490079    
H        -0.6452153550        -1.498693178        -1.503543882    
H         -1.756525787       -0.5119021118        -1.266156563    
    18
Energy=    -44.7156448911647    
O          1.133799669        0.9766625791        -1.316704348    
H          1.679249609         1.138481887        -2.085633617    
H         0.3519636040        0.4965821476        -1.640175208    
O        -0.7333159795E-02    -2.592680779        0.2346618424E-01
H         0.6024524052        -1.911056975        0.4081115186    
H         0.4245217099        -3.439542301        0.1239214680    
O         -2.365346261        -1.396616689        0.7646048882    
H         -3.137571492        -1.929178627        0.9538863378    
H         -1.635374600        -2.020894186        0.6062672423    
O        -0.8472556629        0.3278033682         2.409226552    
H         -1.236691792        0.7080043734         3.196181484    
H         -1.545282727       -0.1839246806         1.974928699    
O          1.400913040       -0.5871534772        0.9839609977    
H         0.8001081201       -0.1549335366         1.607434182    
H          1.482576284        0.3529323691E-01    0.2433246875    
O         -1.027972480       -0.6904948295        -1.869022304    
H        -0.6448869054        -1.498711253        -1.503951685    
H         -1.756639307       -0.5123664319        -1.266758902    
    18
Energy=    -44.7127541136515    
O          1.133796615        0.9766654097        -1.316703909    
H          1.679248892         1.138482467        -2.085633938    
H         0.3519625569        0.4965831379        -1.640175485    
O        -0.7334625475E-02    -2.592679800        0.2346413933E-01
H         0.6024543019        -1.911055523        0.4081112243    
H         0.4245198758        -3.439542463        0.1239232690    
O         -2.365345785        -1.396612327        0.7645985539    
H         -3.137572240        -1.929177887        0.9538878799    
H         -1.635374446        -2.020891375        0.6062653093    
O        -0.8468682748        0.3275364624         2.408686844    
H         -1.237014247        0.7082961888         3.196721805    
H         -1.545351051       -0.1839600660         1.974940003    
O          1.400911706       -0.5871525386        0.9839610232    
H         0.8001188399       -0.1549382743         1.607436158    
H          1.482576124        0.3529518794E-01    0.2433229660    
O         -1.027972375       -0.6904955370        -1.869023741    
H        -0.6448857789        -1.498711507        -1.503953142    
H         -1.756640033       -0.5123677295        -1.266760782    
    18
Energy=    -44.7102902443439    
O          1.131758417        0.9787189266        -1.316751165    
H          1.678443121         1.138941313        -2.085160310    
H         0.3509057675        0.4970811753        -1.640368224    
O        -0.7422542825E-02    -2.591836954        0.2275029600E-01
H         0.6029173521        -1.910815637        0.4074135423    
H         0.4229227759        -3.439265367        0.1250440205    
O         -2.366258883        -1.394483455        0.7609327770    
H         -3.137044963        -1.927586592        0.9545796222    
H         -1.635578147        -2.018480837        0.6045051304    
O        -0.8412562531        0.2999677359         2.429563925    
H         -1.244193982        0.7350601035         3.179103376    
H         -1.544383907       -0.1920737613         1.981749278    
O          1.403082728       -0.5870220216        0.9825013825    
H         0.8039808051       -0.1560666669         1.608277705    
H          1.482361351        0.3632390299E-01    0.2424024079    
O         -1.027616448       -0.6906045134        -1.869987042    
H        -0.6442370219        -1.498789696        -1.505115252    
H         -1.757150115       -0.5137938302        -1.268373293    
    18
Energy=    -44.7166422588256    
O          1.129717975        0.9807748942        -1.316798888    
H          1.677635949         1.139400770        -2.084685138    
H         0.3498472787        0.4975795520        -1.640561202    
O        -0.7509188861E-02    -2.590992968        0.2203667051E-01
H         0.6033797195        -1.910576511        0.4067143832    
H         0.4213233669        -3.438987407        0.1261658400    
O         -2.367174962        -1.392353449        0.7572637279    
H         -3.136515616        -1.925991854        0.9552715620    
H         -1.635782486        -2.016066801        0.6027423240    
O        -0.8360383363        0.2726845179         2.450971276    
H         -1.251050383        0.7615197770         3.160956564    
H         -1.543343820       -0.2001810494         1.988570554    
O          1.405260644       -0.5868916387        0.9810374318    
H         0.8078417053       -0.1571940592         1.609120494    
H          1.482146405        0.3735326796E-01    0.2414810165    
O         -1.027259674       -0.6907130873        -1.870951394    
H        -0.6435877090        -1.498867832        -1.506278950    
H         -1.757660814       -0.5152222980        -1.269988094    
    18
Energy=    -44.7256270244984    
O          1.128182266        0.9819688252        -1.316642676    
H          1.676995455         1.139842741        -2.084057217    
H         0.3489696956        0.4978728662        -1.640777365    
O        -0.7578034096E-02    -2.590559261        0.2160958573E-01
H         0.6037073051        -1.910832620        0.4061176769    
H         0.4202269259        -3.438873572        0.1268862417    
O         -2.366878484        -1.390598724        0.7551096072    
H         -3.135620301        -1.923861573        0.9559673119    
H         -1.636104177        -2.014845839        0.6009066050    
O        -0.8364964341        0.2484946462         2.469858332    
H         -1.249799256        0.7834841509         3.145995372    
H         -1.540865852       -0.2073083213         1.989714603    
O          1.405183061       -0.5854312371        0.9814510175    
H         0.8077367491       -0.1561356426         1.609705716    
H          1.481740953        0.3798471610E-01    0.2412275325    
O         -1.026725874       -0.6904805110        -1.871410466    
H        -0.6432326870        -1.498962109        -1.507291022    
H         -1.758211258       -0.5164847088        -1.271302676    
    18
Energy=    -44.7300970502832    
O          1.127248774        0.9826941053        -1.316551268    
H          1.676608252         1.140112332        -2.083677692    
H         0.3484404574        0.4980514016        -1.640903765    
O        -0.7631020753E-02    -2.590305846        0.2133061784E-01
H         0.6039142057        -1.910960773        0.4057783281    
H         0.4195650621        -3.438820273        0.1273245886    
O         -2.366706981        -1.389514256        0.7537756262    
H         -3.135101705        -1.922570853        0.9564035153    
H         -1.636262612        -2.014122892        0.5997900095    
O        -0.8361305763        0.2338718526         2.481291797    
H         -1.249297060        0.7967891094         3.136919271    
H         -1.539741401       -0.2116664250         1.990447838    
O          1.405150407       -0.5845692030        0.9816875504    
H         0.8076561510       -0.1554860244         1.610061070    
H          1.481484320        0.3838210133E-01    0.2410882653    
O         -1.026411754       -0.6903435860        -1.871690866    
H        -0.6430113802        -1.499019505        -1.507904639    
H         -1.758543085       -0.5172474407        -1.272102071    
    18
Energy=    -44.7316629963754    
O          1.127027756        0.9828657732        -1.316530316    
H          1.676517039         1.140176403        -2.083588231    
H         0.3483160683        0.4980936007        -1.640932588    
O        -0.7644699759E-02    -2.590247634        0.2126085037E-01
H         0.6039637477        -1.910985710        0.4057030247    
H         0.4194091357        -3.438810863        0.1274283456    
O         -2.366667837        -1.389254282        0.7534541519    
H         -3.134984441        -1.922265689        0.9565099130    
H         -1.636292382        -2.013955127        0.5995256991    
O        -0.8360377329        0.2305006754         2.484083558    
H         -1.249149822        0.7998284854         3.134661279    
H         -1.539508014       -0.2126765378         1.990647194    
O          1.405145547       -0.5843701356        0.9817403135    
H         0.8076326523       -0.1553323299         1.610145387    
H          1.481421513        0.3847945257E-01    0.2410582732    
O         -1.026339745       -0.6903121796        -1.871757511    
H        -0.6429577212        -1.499033000        -1.508049628    
H         -1.758621010       -0.5174270776        -1.272291537    
    18
Energy=    -44.7347499038295    
O          1.126651343        0.9831587329        -1.316495144    
H          1.676361986         1.140285896        -2.083436143    
H         0.3481047193        0.4981652070        -1.640980681    
O        -0.7666971166E-02    -2.590149354        0.2113889635E-01
H         0.6040470635        -1.911023700        0.4055794910    
H         0.4191436578        -3.438797555        0.1276051015    
O         -2.366602434        -1.388810958        0.7528997802    
H         -3.134788303        -1.921744013        0.9566943950    
H         -1.636336699        -2.013670591        0.5990757870    
O        -0.8358635890        0.2248024103         2.488872614    
H         -1.248896857        0.8049262861         3.130739777    
H         -1.539125747       -0.2143625732         1.991030401    
O          1.405137770       -0.5840346488        0.9818283814    
H         0.8075896177       -0.1550722331         1.610287560    
H          1.481312127        0.3864891200E-01    0.2410107738    
O         -1.026219083       -0.6902601145        -1.871871907    
H        -0.6428648642        -1.499055711        -1.508296551    
H         -1.758753682       -0.5177321677        -1.272614353    
    18
Energy=    -44.7377796353994    
O          1.126326929        0.9834117407        -1.316465283    
H          1.676228663         1.140380612        -2.083305379    
H         0.3479231336        0.4982266599        -1.641021156    
O        -0.7685091526E-02    -2.590065466        0.2103078120E-01
H         0.6041177669        -1.911052276        0.4054775995    
H         0.4189150070        -3.438788562        0.1277574836    
O         -2.366547253        -1.388428283        0.7524153101    
H         -3.134622666        -1.921292745        0.9568564662    
H         -1.636368991        -2.013426457        0.5986884668    
O        -0.8356929603        0.2199380240         2.493029195    
H         -1.248677712        0.8092450029         3.127293897    
H         -1.538815005       -0.2157881615         1.991399574    
O          1.405131611       -0.5837489069        0.9819023304    
H         0.8075494881       -0.1548499119         1.610408893    
H          1.481215539        0.3879845240E-01    0.2409733121    
O         -1.026117064       -0.6902165529        -1.871971365    
H        -0.6427834446        -1.499075023        -1.508509282    
H         -1.758867897       -0.5179943238        -1.272892667    
    18
Energy=    -44.7407062269447    
O          1.126069140        0.9836132385        -1.316442033    
H          1.676123038         1.140456202        -2.083201799    
H         0.3477795035        0.4982752546        -1.641052316    
O        -0.7698753528E-02    -2.589999758        0.2094170547E-01
H         0.6041730891        -1.911070688        0.4054013458    
H         0.4187336263        -3.438783908        0.1278786332    
O         -2.366504728        -1.388123079        0.7520237261    
H         -3.134494670        -1.920932898        0.9569882735    
H         -1.636388592        -2.013233870        0.5983812020    
O        -0.8355312221        0.2161267218         2.496358233    
H         -1.248503096        0.8126015006         3.124494818    
H         -1.538591878       -0.2168999245         1.991729499    
O          1.405127575       -0.5835255281        0.9819588704    
H         0.8075143801       -0.1546750763         1.610504391    
H          1.481136497        0.3892081398E-01    0.2409469369    
O         -1.026038050       -0.6901832123        -1.872051220    
H        -0.6427173883        -1.499090099        -1.508678185    
H         -1.758958416       -0.5182018647        -1.273113904    
    18
Energy=    -44.7487928280650    
O          1.125536252        0.9840327292        -1.316395690    
H          1.675905701         1.140613981        -2.082988914    
H         0.3474848643        0.4983744368        -1.641112671    
O        -0.7720844524E-02    -2.589866363        0.2074534384E-01
H         0.6042814768        -1.911092492        0.4052628534    
H         0.4183592005        -3.438783468        0.1281295576    
O         -2.366422374        -1.387490915        0.7511852138    
H         -3.134242086        -1.920181008        0.9572731327    
H         -1.636406501        -2.012837972        0.5977488227    
O        -0.8350914847        0.2084246712         2.503282912    
H         -1.248164183        0.8192687157         3.118492140    
H         -1.538200834       -0.2191080212         1.992594133    
O          1.405120044       -0.5830774833        0.9820678783    
H         0.8074307260       -0.1543242174         1.610695602    
H          1.480963031        0.3918915655E-01    0.2409072274    
O         -1.025882816       -0.6901202615        -1.872220860    
H        -0.6425749253        -1.499119735        -1.509027072    
H         -1.759145193       -0.5186279285        -1.273571432    
    18
Energy=    -44.7574506067899    
O          1.122544668        0.9864363474        -1.316151774    
H          1.674694645         1.141519528        -2.081809343    
H         0.3458581747        0.4989117097        -1.641401794    
O        -0.7733195548E-02    -2.589128143        0.1950379182E-01
H         0.6047865873        -1.911040863        0.4047181460    
H         0.4162614922        -3.438870181        0.1295483055    
O         -2.366031556        -1.383954598        0.7461046002    
H         -3.132933523        -1.915845342        0.9590165563    
H         -1.636272631        -2.010597761        0.5942517598    
O        -0.8314743468        0.1671054211         2.542088129    
H         -1.246625041        0.8537960432         3.082566074    
H         -1.536607983       -0.2306037433         1.999870156    
O          1.405063636       -0.5807148312        0.9825843664    
H         0.8068402024       -0.1525364989         1.611673060    
H          1.479860804        0.4089312040E-01    0.2408719124    
O         -1.025110650       -0.6898466187        -1.873245213    
H        -0.6417005956        -1.499260827        -1.510982043    
H         -1.760190633       -0.5209889386        -1.276138512    
    18
Energy=    -44.7880396702181    
O          1.124062975        0.9852163847        -1.316291185    
H          1.675320015         1.141064325        -2.082420712    
H         0.3467111803        0.4986381691        -1.641227249    
O        -0.7759381450E-02    -2.589544593        0.2004487506E-01
H         0.6045467501        -1.910942925        0.4051167481    
H         0.4173527137        -3.438890120        0.1288303080    
O         -2.366274818        -1.385664601        0.7485543942    
H         -3.133720219        -1.918073612        0.9581934122    
H         -1.636173435        -2.011807503        0.5960419927    
O        -0.8321862309        0.1903217736         2.523084353    
H         -1.247322053        0.8342912496         3.099518506    
H         -1.538599244       -0.2249657197         1.996803837    
O          1.405163022       -0.5820444789        0.9822362133    
H         0.8070548445       -0.1534688368         1.611177014    
H          1.480371085        0.4010905733E-01    0.2409575236    
O         -1.025561772       -0.6900110767        -1.872737427    
H        -0.6421158493        -1.499184285        -1.509978581    
H         -1.759639527       -0.5197693839        -1.274835845    
    18
Energy=    -44.8348684783236    
O          1.121698403        0.9873253051        -1.316106646    
H          1.674366128         1.141845608        -2.081523114    
H         0.3454505296        0.4989891607        -1.641339954    
O        -0.7182679779E-02    -2.588846641        0.1883055252E-01
H         0.6044487554        -1.910616863        0.4052106810    
H         0.4156278536        -3.439074380        0.1299864698    
O         -2.366103157        -1.383255710        0.7435205246    
H         -3.132705001        -1.914107349        0.9599137845    
H         -1.635720473        -2.009651966        0.5934548337    
O        -0.8283246716        0.1588952519         2.549958721    
H         -1.247984380        0.8568522997         3.066368014    
H         -1.535862671       -0.2310870486         2.011514654    
O          1.404832639       -0.5803864903        0.9825164392    
H         0.8064429039       -0.1527682678         1.611505998    
H          1.479137273        0.4198595002E-01    0.2414699376    
O         -1.025172131       -0.6900485255        -1.873823538    
H        -0.6412091952        -1.499206127        -1.511539420    
H         -1.760510071       -0.5215703815        -1.276849761    
    18
Energy=    -44.8669200809140    
O          1.121878215        0.9873325059        -1.316122710    
H          1.674425472         1.141827146        -2.081616416    
H         0.3456244968        0.4989020235        -1.641229029    
O        -0.6881779383E-02    -2.588820887        0.1869609704E-01
H         0.6041271668        -1.910458213        0.4056766105    
H         0.4158212500        -3.439058641        0.1299574872    
O         -2.366303039        -1.383474000        0.7431541997    
H         -3.132767306        -1.914196259        0.9599846270    
H         -1.635576421        -2.009572185        0.5938858839    
O        -0.8285268707        0.1649834403         2.545721172    
H         -1.247793628        0.8515854819         3.066801717    
H         -1.535707769       -0.2310073587         2.014887848    
O          1.404710558       -0.5807249705        0.9822688382    
H         0.8061818976       -0.1535892410         1.611281594    
H          1.478969243        0.4230237482E-01    0.2417690031    
O         -1.025410886       -0.6902401277        -1.873988224    
H        -0.6411317523        -1.499098211        -1.511398197    
H         -1.760408793       -0.5214190512        -1.276662326    
    18
Energy=    -44.9018013230447    
O          1.120129687        0.9890627442        -1.315960833    
H          1.673668001         1.142425155        -2.080955324    
H         0.3448397206        0.4990988966        -1.641218772    
O        -0.6354780532E-02    -2.588232406        0.1759453900E-01
H         0.6038771457        -1.910196925        0.4061900438    
H         0.4148077829        -3.438975261        0.1309258428    
O         -2.366450841        -1.381335915        0.7389750889    
H         -3.131837331        -1.911388391        0.9612711148    
H         -1.635370729        -2.007795707        0.5923075326    
O        -0.8284720886        0.1489900494         2.564841379    
H         -1.244809571        0.8660726438         3.043601974    
H         -1.533525440       -0.2405384938         2.025103992    
O          1.404369589       -0.5796629903        0.9821261188    
H         0.8051173151       -0.1541953534         1.611639313    
H          1.477866199        0.4414401152E-01    0.2422677046    
O         -1.025331312       -0.6904207402        -1.875071574    
H        -0.6403760353        -1.498960505        -1.512486198    
H         -1.760917256       -0.5228169882        -1.278083764    
    18
Energy=    -44.9891036549284    
O          1.116062921        0.9934001308        -1.315448241    
H          1.671744990         1.143890269        -2.079283727    
H         0.3431810652        0.4994852171        -1.641065919    
O        -0.5392561517E-02    -2.586792401        0.1533634751E-01
H         0.6033774424        -1.909649573        0.4075637097    
H         0.4131971393        -3.438158970        0.1333736933    
O         -2.366820489        -1.375936240        0.7300337257    
H         -3.129106734        -1.904880571        0.9639745654    
H         -1.635371054        -2.003384639        0.5885066288    
O        -0.8341812079        0.1227582415         2.602216770    
H         -1.231770261        0.8988802375         2.995670363    
H         -1.526193460       -0.2725029259         2.047943190    
O          1.402572519       -0.5771427881        0.9816258859    
H         0.8009413370       -0.1582462520         1.613359404    
H          1.474640081        0.4920831711E-01    0.2436762949    
O         -1.025337809       -0.6910942666        -1.878065079    
H        -0.6384174964        -1.498425794        -1.515029210    
H         -1.761896368       -0.5261341681        -1.281320225    
    18
Energy=    -45.0111664161403    
O          1.113492028        0.9959947874        -1.315044227    
H          1.670632958         1.144813593        -2.078336495    
H         0.3422536087        0.4997552043        -1.640919645    
O        -0.4770516050E-02    -2.585872601        0.1416179172E-01
H         0.6030291808        -1.909322211        0.4083253050    
H         0.4123486475        -3.437586786        0.1348541859    
O         -2.366630520        -1.372662197        0.7249106259    
H         -3.127620646        -1.901062988        0.9656052881    
H         -1.635508275        -2.000602993        0.5861057108    
O        -0.8385289381        0.1088112977         2.622574137    
H         -1.223223956        0.9175464949         2.967151630    
H         -1.521053271       -0.2923731517         2.062899661    
O          1.401244916       -0.5756730709        0.9813284240    
H         0.7981057685       -0.1611502453         1.614534579    
H          1.472467239        0.5240273905E-01    0.2447023040    
O         -1.025419064       -0.6915285159        -1.879917953    
H        -0.6371754469        -1.498102280        -1.516570389    
H         -1.762413659       -0.5281132522        -1.283296754    
    18
Energy=    -45.0160395083098    
O          1.112784349        0.9959744721        -1.314683227    
H          1.670739450         1.145013783        -2.078458150    
H         0.3423106675        0.4999968064        -1.640815941    
O        -0.4999152373E-02    -2.585824915        0.1475035125E-01
H         0.6032573396        -1.909241934        0.4078008483    
H         0.4125349060        -3.437439348        0.1349355466    
O         -2.365001235        -1.372330087        0.7259376168    
H         -3.128207952        -1.901201769        0.9656459774    
H         -1.635962015        -2.000219251        0.5852127436    
O        -0.8391830420        0.1099330701         2.621462586    
H         -1.221544951        0.9170831813         2.965371762    
H         -1.520271027       -0.2938047374         2.064421518    
O          1.400533429       -0.5755828531        0.9816131218    
H         0.7972841957       -0.1619212080         1.615108424    
H          1.471697380        0.5273686583E-01    0.2451694924    
O         -1.025554972       -0.6913949546        -1.879973726    
H        -0.6369519204        -1.498269170        -1.516758147    
H         -1.762235396       -0.5282341268        -1.283672619    
    18
Energy=    -45.0515020787602    
O          1.109873302        0.9992060387        -1.314057805    
H          1.668564365         1.146507572        -2.075506239    
H         0.3396870261        0.5009728694        -1.641033558    
O        -0.6405095340E-02    -2.585651324        0.1758544090E-01
H         0.6050872555        -1.908044686        0.4041701390    
H         0.4123999368        -3.436573110        0.1363292230    
O         -2.362718927        -1.368946940        0.7328905514    
H         -3.125603366        -1.895293832        0.9650881268    
H         -1.635496966        -1.999133794        0.5761624170    
O        -0.8394880373        0.9531868447E-01     2.641297299    
H         -1.207734207        0.9317456573         2.926271889    
H         -1.515790649       -0.3107096213         2.079540368    
O          1.395754608       -0.5738694026        0.9838144623    
H         0.7905921923       -0.1661787708         1.619917186    
H          1.464923154        0.5643694792E-01    0.2491150647    
O         -1.023973001       -0.6919134654        -1.881922387    
H        -0.6353943673        -1.498413490        -1.519847781    
H         -1.763047168       -0.5301855099        -1.286746220    
    18
Energy=    -45.0679322138715    
O          1.106262791         1.000647516        -1.312366844    
H          1.667461660         1.148121790        -2.073202755    
H         0.3376152839        0.5027405666        -1.641144810    
O        -0.7946764210E-02    -2.586009523        0.2067461695E-01
H         0.6064788519        -1.906497421        0.3999886851    
H         0.4129055701        -3.436417570        0.1369386724    
O         -2.355618990        -1.366961240        0.7452871322    
H         -3.125695594        -1.892695070        0.9633942938    
H         -1.636343715        -1.998676267        0.5682443396    
O        -0.8377495562        0.8822726005E-01     2.648983783    
H         -1.194147484        0.9379782015         2.899789352    
H         -1.512744521       -0.3186918565         2.084587836    
O          1.390281890       -0.5731072068        0.9871426437    
H         0.7833439921       -0.1703746564         1.625327729    
H          1.456872652        0.5937095913E-01    0.2543829607    
O         -1.022882289       -0.6919078906        -1.883041001    
H        -0.6341675336        -1.499410380        -1.522390171    
H         -1.762696190       -0.5310633869        -1.289528285    
    18
Energy=    -45.0721405904195    
O          1.106104767         1.000898810        -1.312355253    
H          1.667414873         1.148162576        -2.073208877    
H         0.3376446823        0.5026836928        -1.641111627    
O        -0.7594909286E-02    -2.585869444        0.1992860338E-01
H         0.6060950324        -1.906551633        0.4006738172    
H         0.4127414057        -3.436389456        0.1370939249    
O         -2.356100628        -1.366703961        0.7435619330    
H         -3.125507964        -1.892448237        0.9637265667    
H         -1.636262591        -1.998331126        0.5688670907    
O        -0.8385509211        0.8706468426E-01     2.650888802    
H         -1.193702142        0.9401756514         2.897968404    
H         -1.512099763       -0.3209197495         2.086031549    
O          1.390453666       -0.5730164120        0.9869023686    
H         0.7833942519       -0.1706459999         1.625073734    
H          1.457048999        0.5971775984E-01    0.2542542710    
O         -1.023049431       -0.6920141234        -1.883284071    
H        -0.6340876423        -1.499313846        -1.522380806    
H         -1.762711630       -0.5312253615        -1.289562254    
    18
Energy=    -45.0752535785496    
O          1.105712508         1.001165889        -1.312131469    
H          1.667290586         1.148356781        -2.072864134    
H         0.3374483449        0.5028470682        -1.641117977    
O        -0.7286658208E-02    -2.585855121        0.1917871871E-01
H         0.6056039662        -1.906441868        0.4011222372    
H         0.4126853884        -3.436444010        0.1371995211    
O         -2.355883629        -1.366513974        0.7436851542    
H         -3.125387394        -1.892236640        0.9636661998    
H         -1.636125817        -1.998255040        0.5691802285    
O        -0.8387264200        0.8614506231E-01     2.651866183    
H         -1.192028139        0.9418682794         2.895255700    
H         -1.511327583       -0.3224495478         2.086497632    
O          1.390015456       -0.5730034803        0.9871259208    
H         0.7826520708       -0.1713801067         1.625400248    
H          1.456254423        0.6028961360E-01    0.2548677800    
O         -1.023115055       -0.6921879827        -1.883615226    
H        -0.6339793275        -1.499363279        -1.522536655    
H         -1.762572667       -0.5312678184        -1.289711885    
    18
Energy=    -45.0849859781459    
O          1.104370415         1.001953023        -1.311173054    
H          1.666865256         1.149107927        -2.071288856    
H         0.3366155738        0.5035777348        -1.641202179    
O        -0.6131269247E-02    -2.585958507        0.1616172833E-01
H         0.6035317790        -1.906049498        0.4027372779    
H         0.4126280292        -3.436760856        0.1373931310    
O         -2.354694199        -1.366391315        0.7458343134    
H         -3.125085226        -1.891890031        0.9629696168    
H         -1.635468827        -1.998498368        0.5707970039    
O        -0.8381713566        0.8409829404E-01     2.652608987    
H         -1.185887430        0.9459306957         2.887468391    
H         -1.508866568       -0.3250448488         2.085715270    
O          1.388078297       -0.5731853352        0.9882803303    
H         0.7795292469       -0.1741851933         1.626999389    
H          1.452780667        0.6223696730E-01    0.2576698804    
O         -1.023287749       -0.6929319921        -1.884779207    
H        -0.6337175139        -1.499668041        -1.523056711    
H         -1.761859071       -0.5310668308        -1.290067133    
    18
Energy=    -45.0969414181533    
O          1.102634162         1.002792641        -1.309714301    
H          1.666417515         1.150133538        -2.068868585    
H         0.3354897166        0.5046231420        -1.641362450    
O        -0.4649655857E-02    -2.586244950        0.1175619772E-01
H         0.6005159045        -1.905805041        0.4048404413    
H         0.4127246464        -3.437117156        0.1374122272    
O         -2.352898768        -1.366919413        0.7500189958    
H         -3.124900678        -1.892048516        0.9616283991    
H         -1.634228032        -1.999563069        0.5738608232    
O        -0.8359372285        0.8300149116E-01     2.650181580    
H         -1.178125502        0.9487711019         2.880210447    
H         -1.506122123       -0.3245944534         2.081659913    
O          1.385072926       -0.5736567004        0.9902478572    
H         0.7751301235       -0.1780128799         1.629576681    
H          1.447837693        0.6450511833E-01    0.2617110211    
O         -1.023567714       -0.6940011662        -1.886241407    
H        -0.6335330246        -1.500217464        -1.523598885    
H         -1.760629907       -0.5303723976        -1.290250778    
    18
Energy=    -45.1153263085739    
O          1.098281777         1.005290993        -1.306327340    
H          1.665542433         1.152455579        -2.062600612    
H         0.3331284123        0.5063180784        -1.641702268    
O        -0.3682023089E-02    -2.586684683        0.4425160226E-02
H         0.5960857468        -1.906640457        0.4062891081    
H         0.4134803391        -3.436684565        0.1371020593    
O         -2.348326994        -1.369486964        0.7589995177    
H         -3.124478513        -1.892585974        0.9589375098    
H         -1.631162172        -2.002780708        0.5804968738    
O        -0.8288426964        0.8225311580E-01     2.642484843    
H         -1.161808751        0.9522272301         2.865664845    
H         -1.501318049       -0.3191358600         2.071709444    
O          1.377218561       -0.5745622254        0.9947668559    
H         0.7649478654       -0.1859742974         1.637460163    
H          1.437434142        0.6751912977E-01    0.2699433892    
O         -1.023978987       -0.6962417844        -1.889234423    
H        -0.6332424374        -1.501248820        -1.524962780    
H         -1.758048600       -0.5287639609        -1.290384168    
    18
Energy=    -45.1182820473384    
O          1.097675990         1.005671958        -1.306076727    
H          1.665463012         1.152661636        -2.062089615    
H         0.3329664817        0.5063182429        -1.641691736    
O        -0.4366959300E-02    -2.586758020        0.5407818714E-02
H         0.5968177309        -1.906702581        0.4050069546    
H         0.4136045736        -3.436382492        0.1370329118    
O         -2.347742758        -1.369417621        0.7599712933    
H         -3.124394825        -1.892314577        0.9589026383    
H         -1.630948780        -2.003142602        0.5796397863    
O        -0.8281734178        0.8194071807E-01     2.642902798    
H         -1.160509281        0.9523785404         2.862944348    
H         -1.501278949       -0.3191161205         2.072329517    
O          1.376220059       -0.5745399682        0.9954088597    
H         0.7642280447       -0.1863807648         1.638340351    
H          1.436692673        0.6742841360E-01    0.2702645282    
O         -1.023900473       -0.6961443215        -1.889315173    
H        -0.6331145191        -1.501335068        -1.525263350    
H         -1.758008548       -0.5288915466        -1.290647027    
    18
Energy=    -45.1272898887957    
O          1.092928758         1.009502876        -1.303501719    
H          1.664699383         1.154555490        -2.056245945    
H         0.3315929738        0.5060557290        -1.641646925    
O        -0.6274051971E-02    -2.587057427        0.6291831796E-02
H         0.5978744442        -1.906659815        0.4002963493    
H         0.4139698619        -3.435799495        0.1360168655    
O         -2.344950919        -1.370398440        0.7604896147    
H         -3.123253506        -1.891699212        0.9592526080    
H         -1.628481343        -2.005993226        0.5817470095    
O        -0.8243319139        0.8133976668E-01     2.642860525    
H         -1.148247855        0.9581382280         2.846121896    
H         -1.498524158       -0.3197345916         2.073166884    
O          1.369981765       -0.5759446428        0.9988250281    
H         0.7579091044       -0.1910324633         1.643900192    
H          1.430060882        0.6755460709E-01    0.2750039040    
O         -1.024029999       -0.6968591387        -1.891288638    
H        -0.6327396738        -1.501520625        -1.526998562    
H         -1.756953699       -0.5291737941        -1.291222742    
    18
Energy=    -45.1308275184692    
O          1.087475827         1.012831244        -1.300397573    
H          1.664623506         1.156447295        -2.051183782    
H         0.3308861239        0.5056967563        -1.641341932    
O        -0.7647866331E-02    -2.587844695        0.6928119738E-02
H         0.5988182730        -1.905825548        0.3964100891    
H         0.4139866825        -3.435901382        0.1345961702    
O         -2.343608871        -1.372194201        0.7578329894    
H         -3.121201527        -1.890985624        0.9601644641    
H         -1.626541089        -2.008358658        0.5849184717    
O        -0.8216479025        0.8167026680E-01     2.643092252    
H         -1.137809830        0.9645552904         2.832353652    
H         -1.496158236       -0.3206655776         2.074479766    
O          1.365616190       -0.5778727528         1.000888237    
H         0.7528613995       -0.1947715597         1.647839126    
H          1.424548706        0.6710580432E-01    0.2794503151    
O         -1.024237356       -0.6973069673        -1.893094407    
H        -0.6325878382        -1.501691302        -1.528450045    
H         -1.756146137       -0.5296145655        -1.291417734    
    18
Energy=    -45.1360227029639    
O          1.087780977         1.013130749        -1.300273452    
H          1.664390771         1.156489680        -2.050012199    
H         0.3307443228        0.5053461661        -1.641306135    
O        -0.6551086978E-02    -2.587935937        0.5841330106E-02
H         0.5977673254        -1.905427279        0.3976214175    
H         0.4137878180        -3.436988948        0.1340109698    
O         -2.344202708        -1.372118784        0.7544771186    
H         -3.121209758        -1.891878879        0.9610074576    
H         -1.626441620        -2.008613143        0.5867954922    
O        -0.8222519315        0.8282611773E-01     2.642597500    
H         -1.138666108        0.9657135317         2.834665907    
H         -1.496272577       -0.3199655367         2.074107872    
O          1.366780847       -0.5788418695         1.000690195    
H         0.7539940441       -0.1949104720         1.645953858    
H          1.425067895        0.6720471290E-01    0.2791879519    
O         -1.024487058       -0.6972706543        -1.892893800    
H        -0.6329427083        -1.501790853        -1.528319065    
H         -1.756058389       -0.5296947761        -1.291084241    
    18
Energy=    -45.1392835451961    
O          1.086033265         1.013601597        -1.298301584    
H          1.664477631         1.157308427        -2.046981836    
H         0.3303188719        0.5050946886        -1.640871721    
O        -0.5890799124E-02    -2.588817742        0.5077249202E-02
H         0.5971613307        -1.905623380        0.3982426980    
H         0.4139842039        -3.438183006        0.1324744606    
O         -2.344811365        -1.373145840        0.7503302190    
H         -3.120071705        -1.892731217        0.9625865489    
H         -1.626311761        -2.009464910        0.5882822373    
O        -0.8221932739        0.8526560608E-01     2.641661404    
H         -1.138760663        0.9681069408         2.835530715    
H         -1.497013895       -0.3166991665         2.073620974    
O          1.368361075       -0.5802452026        0.9999307836    
H         0.7547582185       -0.1961057028         1.644279551    
H          1.425403711        0.6649168783E-01    0.2789465701    
O         -1.024373384       -0.6969286778        -1.892302787    
H        -0.6336705845        -1.502544841        -1.528741495    
H         -1.756170821       -0.5301054361        -1.290695809    
    18
Energy=    -45.1438336975092    
O          1.082902156         1.014622891        -1.295139618    
H          1.664244781         1.158866877        -2.041847513    
H         0.3291463815        0.5051515229        -1.640202825    
O        -0.5888496315E-02    -2.589998607        0.4494500238E-02
H         0.5969113041        -1.906587688        0.3980754378    
H         0.4147861478        -3.439200476        0.1305657027    
O         -2.344330527        -1.374109754        0.7480310751    
H         -3.118598232        -1.893387800        0.9643740930    
H         -1.625794288        -2.010935365        0.5883357354    
O        -0.8215614332        0.8772163449E-01     2.641000117    
H         -1.135812147        0.9723460411         2.831454583    
H         -1.497438399       -0.3131151724         2.073429660    
O          1.368878162       -0.5816153114        0.9996495126    
H         0.7540294998       -0.1991446076         1.643913342    
H          1.424392053        0.6590600084E-01    0.2792372973    
O         -1.023794505       -0.6967155691        -1.891724746    
H        -0.6344966048        -1.503743758        -1.529956059    
H         -1.756345799       -0.5307870331        -1.290622117    
    18
Energy=    -45.1514371548082    
O          1.074025174         1.017791706        -1.285514021    
H          1.662943243         1.163835047        -2.025655161    
H         0.3249852829        0.5056550480        -1.637758875    
O        -0.5504823918E-02    -2.593979898        0.3285099710E-02
H         0.5962610081        -1.910654394        0.3970520562    
H         0.4174854173        -3.441399842        0.1249017668    
O         -2.342034979        -1.376786450        0.7447071005    
H         -3.114544703        -1.894907817        0.9695239770    
H         -1.624268884        -2.014762930        0.5858727399    
O        -0.8202287833        0.9513626324E-01     2.639069995    
H         -1.125646563        0.9855974697         2.817028858    
H         -1.498671182       -0.3033832633         2.072847215    
O          1.370007960       -0.5853045613        0.9984726749    
H         0.7514008764       -0.2087355679         1.643716317    
H          1.420812897        0.6406466870E-01    0.2802056434    
O         -1.022816140       -0.6957240941        -1.889938122    
H        -0.6365849871        -1.507967899        -1.533583717    
H         -1.756390757       -0.5331996588        -1.291165367    
    18
Energy=    -45.1575661306949    
O          1.066639049         1.020100412        -1.277682020    
H          1.661962040         1.167933486        -2.013157902    
H         0.3218053462        0.5064513705        -1.635515293    
O        -0.6165847733E-02    -2.596458524        0.2013641213E-02
H         0.5962397204        -1.913812685        0.3961698588    
H         0.4203432432        -3.443974814        0.1207453646    
O         -2.339666152        -1.378673283        0.7439719713    
H         -3.111611981        -1.895994709        0.9733122882    
H         -1.623083257        -2.017579090        0.5830653769    
O        -0.8194122894        0.1010187432         2.637255891    
H         -1.116617135        0.9961015359         2.804694081    
H         -1.499390659       -0.2964192178         2.072013548    
O          1.369834502       -0.5883884825        0.9988188980    
H         0.7493909568       -0.2167302408         1.643714301    
H          1.417510954        0.6325007527E-01    0.2806267953    
O         -1.020627143       -0.6964157525        -1.889180185    
H        -0.6385286278        -1.510264326        -1.536901723    
H         -1.757392665       -0.5348706730        -1.290896715    
    18
Energy=    -45.1651639955811    
O          1.066037936         1.021177613        -1.276363050    
H          1.660820641         1.169028865        -2.010733720    
H         0.3207525109        0.5072140995        -1.634415619    
O        -0.6219817389E-02    -2.597362607        0.1598947582E-02
H         0.5966876201        -1.914465997        0.3950993556    
H         0.4211285658        -3.443998410        0.1205967022    
O         -2.337844159        -1.378111697        0.7500815654    
H         -3.111856744        -1.895530505        0.9728870228    
H         -1.622520569        -2.017428557        0.5803416529    
O        -0.8200337310        0.1012215717         2.636568505    
H         -1.110876683        0.9988460192         2.797750036    
H         -1.498078216       -0.2984129112         2.070875589    
O          1.367521603       -0.5888279701        0.9995283789    
H         0.7474453358       -0.2184474697         1.646104154    
H          1.414449228        0.6339953497E-01    0.2823853963    
O         -1.021544546       -0.6971580716        -1.890303266    
H        -0.6378765676        -1.510611909        -1.537314458    
H         -1.756762353       -0.5352577741        -1.291619015    
    18
Energy=    -45.1683491746179    
O          1.064120632         1.022197011        -1.273415776    
H          1.660026104         1.170663567        -2.006414257    
H         0.3197862800        0.5077047244        -1.632704403    
O        -0.5728695076E-02    -2.598792261        0.9134894352E-03
H         0.5969146417        -1.915688674        0.3944454727    
H         0.4221014402        -3.445188419        0.1190481447    
O         -2.337032307        -1.378604802        0.7515714383    
H         -3.111136685        -1.896035484        0.9740756638    
H         -1.622229081        -2.017740937        0.5789051961    
O        -0.8204319401        0.1037792930         2.635093344    
H         -1.107925941         1.002311249         2.794180557    
H         -1.498358524       -0.2958906348         2.069275776    
O          1.367256689       -0.5904985032        0.9993196162    
H         0.7475999598       -0.2202401837         1.646300487    
H          1.413096700        0.6233188956E-01    0.2826651427    
O         -1.022005667       -0.6978586008        -1.890704792    
H        -0.6380345807        -1.511232792        -1.537943551    
H         -1.756788973       -0.5359426188        -1.291543370    
    18
Energy=    -45.1781978143708    
O          1.054482629         1.027707137        -1.259862768    
H          1.656657138         1.178094887        -1.987151482    
H         0.3155748837        0.5095396564        -1.625468295    
O        -0.3743280022E-02    -2.604667065       -0.2991058802E-02
H         0.5977202479        -1.920646031        0.3912352929    
H         0.4258879434        -3.450570019        0.1121866942    
O         -2.333785485        -1.380823185        0.7547986942    
H         -3.107286484        -1.898162949        0.9795628268    
H         -1.620402859        -2.019777958        0.5756718986    
O        -0.8206907000        0.1132423246         2.630399957    
H         -1.093597139         1.019246206         2.774032967    
H         -1.498643202       -0.2850139905         2.063680653    
O          1.365004791       -0.5980702937        0.9990239322    
H         0.7471080488       -0.2286911308         1.648287129    
H          1.406394913        0.5766096864E-01    0.2847347646    
O         -1.024225930       -0.7010630155        -1.893097607    
H        -0.6384656335        -1.513801471        -1.540847528    
H         -1.756759828       -0.5389302455        -1.291127894    
    18
Energy=    -45.1913854211918    
O          1.042244980         1.035124182        -1.239014379    
H          1.650795986         1.189244013        -1.961002961    
H         0.3107133447        0.5123333212        -1.612397063    
O         0.1248237472E-03    -2.613853295       -0.1172237299E-01
H         0.6001068321        -1.930419721        0.3874466680    
H         0.4305532961        -3.459401946        0.1012571647    
O         -2.332541204        -1.383228209        0.7526074153    
H         -3.101234261        -1.902896367        0.9891467637    
H         -1.618505124        -2.021314375        0.5758115792    
O        -0.8220319786        0.1294360778         2.622674813    
H         -1.083654454         1.041309892         2.754271404    
H         -1.500683377       -0.2638432587         2.053586799    
O          1.364329134       -0.6096830541        0.9967607355    
H         0.7529653923       -0.2369442311         1.649950203    
H          1.403193209        0.4651182264E-01    0.2826240986    
O         -1.028910438       -0.7066886265        -1.896127425    
H        -0.6384900899        -1.516328631        -1.543438036    
H         -1.757746016       -0.5440837706        -1.289367228    
    18
Energy=    -45.1975695126679    
O          1.045822053         1.033463047        -1.240221033    
H          1.649434098         1.189012728        -1.966486176    
H         0.3115620161        0.5129153508        -1.610658734    
O         0.9221059082E-03    -2.612885825       -0.1317113734E-01
H         0.6012441851        -1.932283636        0.3875166508    
H         0.4288684838        -3.460040085        0.1016368399    
O         -2.335233806        -1.381374532        0.7496939111    
H         -3.101663096        -1.902567405        0.9891317612    
H         -1.619379171        -2.018545845        0.5786108686    
O        -0.8238045290        0.1289246551         2.624579929    
H         -1.094101235         1.037572914         2.760484891    
H         -1.500743322       -0.2650223402         2.053987148    
O          1.366461577       -0.6091513968        0.9961452401    
H         0.7582930163       -0.2317641762         1.649398986    
H          1.409045738        0.4381772324E-01    0.2788370191    
O         -1.029434882       -0.7063539945        -1.895439098    
H        -0.6371040514        -1.515196423        -1.541631710    
H         -1.758959125       -0.5452469339        -1.289347180    
    18
Energy=    -45.2026940736725    
O          1.046917118         1.032104288        -1.240125141    
H          1.646781668         1.190653045        -1.968819479    
H         0.3101236887        0.5143744786        -1.608619003    
O         0.6940400344E-03    -2.612880299       -0.1474889516E-01
H         0.6025595828        -1.933884769        0.3866007749    
H         0.4267856574        -3.461332679        0.1007319547    
O         -2.335767535        -1.379586738        0.7484691018    
H         -3.101658372        -1.900880688        0.9895533515    
H         -1.618710677        -2.016633134        0.5806842425    
O        -0.8248563799        0.1286286134         2.627669797    
H         -1.098852797         1.038284006         2.755772724    
H         -1.498636134       -0.2688380050         2.055843387    
O          1.367873653       -0.6093647509        0.9973989680    
H         0.7603173587       -0.2297678339         1.650026598    
H          1.411800996        0.4215187007E-01    0.2784741367    
O         -1.027647039       -0.7047186897        -1.893825183    
H        -0.6359155887        -1.515223512        -1.541497590    
H         -1.760579186       -0.5478113772        -1.290521567    
    18
Energy=    -45.2206196100048    
O          1.035460203         1.035510451        -1.217797042    
H          1.631361664         1.208890789        -1.946441325    
H         0.2970898138        0.5221845619        -1.591140620    
O         0.3091387946E-02    -2.622386751       -0.2687144098E-01
H         0.6060672437        -1.947728187        0.3793163144    
H         0.4242653396        -3.473567485        0.8528997207E-01
O         -2.330098003        -1.379116048        0.7517262596    
H         -3.095442965        -1.898661160        0.9985355342    
H         -1.612423553        -2.015649375        0.5861965942    
O        -0.8260536905        0.1475688336         2.621577116    
H         -1.091557675         1.063766167         2.712812899    
H         -1.490812679       -0.2600321816         2.046331631    
O          1.368766478       -0.6221580224         1.003167279    
H         0.7639086341       -0.2391076047         1.655830626    
H          1.409671825        0.2956986759E-01    0.2849158800    
O         -1.023337300       -0.7040164731        -1.889575072    
H        -0.6332547689        -1.518755494        -1.546580161    
H         -1.765471901       -0.5610380617        -1.294226266    
    18
Energy=    -45.2263014501520    
O          1.026675801         1.039337073        -1.204472017    
H          1.623914923         1.218583581        -1.930151773    
H         0.2912231477        0.5254566709        -1.582292048    
O         0.4092542823E-02    -2.627971772       -0.3192603044E-01
H         0.6069842137        -1.954514312        0.3756341935    
H         0.4247987831        -3.479515747        0.7665269779E-01
O         -2.325350014        -1.380391622        0.7555005194    
H         -3.091034148        -1.898730206         1.003532028    
H         -1.609342657        -2.017842890        0.5868919581    
O        -0.8253710099        0.1593652744         2.614541443    
H         -1.080972980         1.079045934         2.689057029    
H         -1.487941478       -0.2513212715         2.039066243    
O          1.367464971       -0.6304015868         1.005815889    
H         0.7627606004       -0.2477522060         1.659896577    
H          1.405448322        0.2430805812E-01    0.2895971736    
O         -1.023002187       -0.7051716792        -1.889212967    
H        -0.6322895262        -1.520812132        -1.549848400    
H         -1.766829250       -0.5663973423        -1.295214337    
    18
Energy=    -45.2337622311731    
O          1.011725560         1.046736981        -1.181646606    
H          1.609027473         1.236183493        -1.904186756    
H         0.2823803668        0.5297634289        -1.566111423    
O         0.3980856997E-02    -2.637061855       -0.3860827591E-01
H         0.6089385117        -1.966270280        0.3707882902    
H         0.4249247028        -3.489393358        0.6119449097E-01
O         -2.316131111        -1.381689930        0.7601028859    
H         -3.081901980        -1.897932259         1.012976590    
H         -1.604763416        -2.023141534        0.5863405779    
O        -0.8244077122        0.1800028457         2.603238140    
H         -1.064735281         1.105264159         2.645865828    
H         -1.483454563       -0.2378714150         2.028748597    
O          1.365509761       -0.6442714124         1.010075514    
H         0.7612924351       -0.2646361855         1.666771297    
H          1.401749579        0.1530893911E-01    0.2983059725    
O         -1.023990561       -0.7071552747        -1.889900750    
H        -0.6292134269        -1.522825678        -1.554827853    
H         -1.769701141       -0.5757368401        -1.296058344    
    18
Energy=    -45.2384900037123    
O          1.008878469         1.048302088        -1.176812716    
H          1.603730737         1.241323609        -1.900481676    
H         0.2803586286        0.5304904434        -1.561416348    
O         0.3407046634E-02    -2.638614262       -0.3960026521E-01
H         0.6091235002        -1.969367060        0.3705652506    
H         0.4236878021        -3.491650694        0.5720604888E-01
O         -2.313217485        -1.381557800        0.7609342881    
H         -3.079237455        -1.896352267         1.015298331    
H         -1.603654720        -2.024474484        0.5859516875    
O        -0.8242343318        0.1845233345         2.601367583    
H         -1.062674562         1.111027741         2.632790797    
H         -1.481644602       -0.2370836265         2.027580561    
O          1.365425760       -0.6475714214         1.011676097    
H         0.7610640411       -0.2692165292         1.668615956    
H          1.402931722        0.1350274830E-01    0.3015654590    
O         -1.024596767       -0.7073334777        -1.890227524    
H        -0.6274666653        -1.522155926        -1.555621112    
H         -1.770651064       -0.5785185903        -1.296324240    
    18
Energy=    -45.2486529022942    
O          1.005115001         1.050832476        -1.168034459    
H          1.589698648         1.254208623        -1.898191650    
H         0.2760440143        0.5307666783        -1.549620596    
O         0.1198703870E-02    -2.641084500       -0.4071929192E-01
H         0.6090515001        -1.976378889        0.3729898940    
H         0.4188302094        -3.496228193        0.4818864951E-01
O         -2.306814062        -1.380714249        0.7600784959    
H         -3.073670186        -1.890808318         1.021249371    
H         -1.600748677        -2.027246447        0.5843621873    
O        -0.8247146546        0.1939651699         2.598458353    
H         -1.064349786         1.121342383         2.603958441    
H         -1.477500025       -0.2388359283         2.027295868    
O          1.367822735       -0.6554503269         1.015310224    
H         0.7623791317       -0.2784281040         1.671696584    
H          1.411092028        0.9916536029E-02    0.3095103796    
O         -1.026766882       -0.7070875780        -1.891430421    
H        -0.6221994011        -1.518345556        -1.555872032    
H         -1.773238241       -0.5851499501        -1.296161820    
    18
Energy=    -45.2510967824675    
O          1.008330681         1.049236614        -1.172201503    
H          1.589095555         1.253615803        -1.904715710    
H         0.2773451645        0.5296286299        -1.550174600    
O         0.5619231009E-03    -2.639287322       -0.3937676469E-01
H         0.6081243735        -1.975218744        0.3758856368    
H         0.4175007199        -3.494912801        0.4973281644E-01
O         -2.307572065        -1.380467220        0.7585488615    
H         -3.074705406        -1.889401226         1.020661715    
H         -1.601013774        -2.026809489        0.5837093075    
O        -0.8252442336        0.1913670484         2.599660195    
H         -1.069406729         1.116950402         2.607995937    
H         -1.477829519       -0.2426425666         2.029287405    
O          1.369418306       -0.6542136179         1.015196313    
H         0.7634886317       -0.2764836167         1.670503653    
H          1.415065227        0.1109061873E-01    0.3098748779    
O         -1.027538044       -0.7068286332        -1.891518654    
H        -0.6216097908        -1.516200399        -1.554416274    
H         -1.772780966       -0.5841496551        -1.295585035    
    18
Energy=    -45.2523898771713    
O          1.008790093         1.048669240        -1.172331692    
H          1.587724923         1.255086625        -1.905582696    
H         0.2769164773        0.5295195058        -1.549177543    
O         0.5378004139E-03    -2.639283251       -0.3962535600E-01
H         0.6077887662        -1.975605861        0.3770687931    
H         0.4172738456        -3.495069376        0.4944608232E-01
O         -2.307800085        -1.380662514        0.7577346206    
H         -3.074911356        -1.888944370         1.021473535    
H         -1.600738115        -2.026748885        0.5831524594    
O        -0.8257124267        0.1914456379         2.599388813    
H         -1.070256457         1.117273913         2.606642881    
H         -1.477995448       -0.2432994822         2.029218472    
O          1.370358060       -0.6548957782         1.015535479    
H         0.7643699862       -0.2761727843         1.670385442    
H          1.416738712        0.1041776726E-01    0.3103328907    
O         -1.027835407       -0.7068547807        -1.891481559    
H        -0.6214293913        -1.515600898        -1.554041937    
H         -1.772589922       -0.5840008839        -1.295070506    
    18
Energy=    -45.2544629553213    
O          1.010885785         1.046893030        -1.174481539    
H          1.587082096         1.255896898        -1.909076167    
H         0.2770532532        0.5288548787        -1.549702286    
O         0.7260612315E-03    -2.638415409       -0.3902615728E-01
H         0.6068370372        -1.974935836        0.3792352824    
H         0.4174666273        -3.494015508        0.5072153879E-01
O         -2.309107690        -1.381289420        0.7565458997    
H         -3.076195663        -1.888883983         1.021787397    
H         -1.601152361        -2.026540807        0.5819660171    
O        -0.8262996036        0.1896265883         2.598626687    
H         -1.071742793         1.115026363         2.609462190    
H         -1.479245482       -0.2446756816         2.028864885    
O          1.371686875       -0.6547115814         1.016059428    
H         0.7656292490       -0.2739183562         1.669915404    
H          1.419255819        0.9878010761E-02    0.3102157435    
O         -1.028206623       -0.7066434753        -1.891515557    
H        -0.6217316511        -1.514922627        -1.552921876    
H         -1.771710880       -0.5819492606        -1.293608712    
    18
Energy=    -45.2577408366580    
O          1.010481232         1.045416537        -1.172222333    
H          1.582260018         1.261390002        -1.908274844    
H         0.2752558930        0.5291132424        -1.547204104    
O         0.7641798818E-03    -2.639255194       -0.3948438661E-01
H         0.6063856153        -1.976377660        0.3808860057    
H         0.4178717915        -3.494837702        0.4911336807E-01
O         -2.309369368        -1.382221452        0.7550954620    
H         -3.075705738        -1.888970633         1.024503084    
H         -1.601356750        -2.027559466        0.5803720458    
O        -0.8268390672        0.1914075980         2.595101794    
H         -1.070357363         1.117680569         2.603277687    
H         -1.480175910       -0.2435624987         2.026138169    
O          1.373429877       -0.6573421836         1.018302967    
H         0.7674068299       -0.2739724347         1.670915130    
H          1.422450929        0.6251552407E-02    0.3116323648    
O         -1.028428892       -0.7062984001        -1.890751553    
H        -0.6218720426        -1.514630649        -1.552617516    
H         -1.770971181       -0.5809574040        -1.291715163    
    18
Energy=    -45.2638318173954    
O          1.008820011         1.042304033        -1.166042886    
H          1.570146105         1.274759673        -1.905500225    
H         0.2712802458        0.5296084895        -1.541818332    
O         0.7605268941E-03    -2.641109810       -0.3989731301E-01
H         0.6053828567        -1.979796655        0.3838173243    
H         0.4187542070        -3.496609453        0.4504621175E-01
O         -2.309378900        -1.384428244        0.7524873775    
H         -3.073720652        -1.889603145         1.030437660    
H         -1.602499051        -2.030870714        0.5773725087    
O        -0.8270778329        0.1961658585         2.585295994    
H         -1.065384327         1.124014850         2.586909477    
H         -1.481716884       -0.2400153142         2.018642754    
O          1.376684550       -0.6634217709         1.024497930    
H         0.7702343921       -0.2755159133         1.674138230    
H          1.429160346       -0.2439896756E-02    0.3158009937    
O         -1.028654781       -0.7049111288        -1.888656271    
H        -0.6222741075        -1.514222616        -1.552237603    
H         -1.769286650       -0.5786344175        -1.287225653    
    18
Energy=    -45.2682153688184    
O          1.006671016         1.040801051        -1.160769327    
H          1.560960583         1.285309920        -1.901515595    
H         0.2693908547        0.5289486074        -1.537840362    
O         0.4905445722E-03    -2.642653591       -0.3934438975E-01
H         0.6061194758        -1.981979699        0.3848321526    
H         0.4197405813        -3.497972530        0.4199791840E-01
O         -2.310051536        -1.386155708        0.7507184751    
H         -3.072258991        -1.891156170         1.034564985    
H         -1.604147933        -2.033444442        0.5757291275    
O        -0.8266068955        0.2003389165         2.578120696    
H         -1.061241425         1.129193731         2.573250080    
H         -1.481851145       -0.2360963158         2.011916189    
O          1.379442055       -0.6682821172         1.029028657    
H         0.7714721492       -0.2780064990         1.675905553    
H          1.433638637       -0.9195897630E-02    0.3187023955    
O         -1.028728222       -0.7029846709        -1.886114357    
H        -0.6231755816        -1.513856249        -1.552297277    
H         -1.768634112       -0.5775345108        -1.283816743    
    18
Energy=    -45.2791173025404    
O          1.001040255         1.039314645        -1.141975761    
H          1.535322840         1.320539079        -1.883650275    
H         0.2685425704        0.5229357619        -1.522554147    
O         0.1565379299E-02    -2.645953020       -0.3718531960E-01
H         0.6123733415        -1.989616389        0.3853635759    
H         0.4203070783        -3.502281390        0.3402608306E-01
O         -2.314960951        -1.392476158        0.7497190564    
H         -3.072759932        -1.898080124         1.043368515    
H         -1.608150297        -2.039206873        0.5772152630    
O        -0.8256845563        0.2159305426         2.555416319    
H         -1.050261483         1.146031973         2.527494449    
H         -1.474582607       -0.2249315920         1.986261474    
O          1.388162853       -0.6831283796         1.036266213    
H         0.7732437115       -0.2934875596         1.676701248    
H          1.447908408       -0.2387743640E-01    0.3269700423    
O         -1.031660160       -0.6963399131        -1.875492756    
H        -0.6257510507        -1.510886681        -1.551058354    
H         -1.773425345       -0.5792126599        -1.273817448    
    18
Energy=    -45.2807102024839    
O          1.001950405         1.037755377        -1.138677632    
H          1.530171430         1.328776709        -1.881393209    
H         0.2685741434        0.5221483040        -1.518790784    
O         0.1780903351E-02    -2.646132850       -0.3665032624E-01
H         0.6135234720        -1.990850146        0.3863322250    
H         0.4195411491        -3.503093392        0.3336909318E-01
O         -2.316680329        -1.394100059        0.7488834008    
H         -3.074186493        -1.899030941         1.044988220    
H         -1.608841436        -2.040130230        0.5775053530    
O        -0.8265013518        0.2176607896         2.551178381    
H         -1.049193049         1.148607701         2.517673098    
H         -1.473825030       -0.2248934853         1.981421577    
O          1.390910004       -0.6858284962         1.036483610    
H         0.7753459405       -0.2953826310         1.675942862    
H          1.453059052       -0.2564421133E-01    0.3282849299    
O         -1.032940980       -0.6952816736        -1.872939813    
H        -0.6264609501        -1.509769750        -1.549294224    
H         -1.774996827       -0.5795371912        -1.271248583    
    18
Energy=    -45.2833133163760    
O          1.007716702         1.034199028        -1.142262486    
H          1.533212753         1.329523763        -1.885014969    
H         0.2712861324        0.5221751226        -1.521301789    
O         0.1277952652E-02    -2.643824702       -0.3387556189E-01
H         0.6132132692        -1.987258756        0.3872775392    
H         0.4189360692        -3.500605415        0.3883405332E-01
O         -2.320185419        -1.395716426        0.7473132483    
H         -3.078209353        -1.900588371         1.042413613    
H         -1.611083188        -2.041014152        0.5780055353    
O        -0.8271040987        0.2111686062         2.550151844    
H         -1.049299630         1.142557765         2.521717574    
H         -1.477086764       -0.2285520757         1.981302520    
O          1.393075529       -0.6822970187         1.033950484    
H         0.7776646665       -0.2914880234         1.673346068    
H          1.456643163       -0.2208604092E-01    0.3258870672    
O         -1.034148524       -0.6950313090        -1.870759699    
H        -0.6290556457        -1.509466534        -1.545119798    
H         -1.775623560       -0.5764216362        -1.268797066    
    18
Energy=    -45.2851221397568    
O          1.008759989         1.034246649        -1.139896597    
H          1.532844591         1.333661414        -1.881800261    
H         0.2721013908        0.5235553414        -1.519941954    
O         0.2315362976E-03    -2.644057350       -0.3288513516E-01
H         0.6131933436        -1.986906931        0.3860378812    
H         0.4181204964        -3.500691625        0.4015126373E-01
O         -2.320786137        -1.397584547        0.7472720150    
H         -3.079295978        -1.901872543         1.041661457    
H         -1.611955948        -2.043317096        0.5792310655    
O        -0.8267588041        0.2106158165         2.546350701    
H         -1.045473440         1.143072922         2.514519248    
H         -1.478601013       -0.2284365311         1.979327732    
O          1.395147289       -0.6819866738         1.033353458    
H         0.7787068892       -0.2925967976         1.672531728    
H          1.457866327       -0.2126731705E-01    0.3256533567    
O         -1.035085670       -0.6949993978        -1.868634520    
H        -0.6306427491        -1.509649574        -1.542513131    
H         -1.777142059       -0.5765119336        -1.267350130    
    18
Energy=    -45.2902125191234    
O          1.001050600         1.046229272        -1.118265556    
H          1.514867918         1.363074840        -1.860129873    
H         0.2673758477        0.5328095272        -1.500305318    
O        -0.2104628022E-02    -2.650459336       -0.3402781918E-01
H         0.6146246656        -1.997357421        0.3847738355    
H         0.4131910122        -3.508700907        0.3398649197E-01
O         -2.320642658        -1.404941740        0.7503284028    
H         -3.079181136        -1.907441028         1.046957146    
H         -1.612756514        -2.051958456        0.5827016371    
O        -0.8248262095        0.2272513098         2.522226154    
H         -1.031276904         1.160088541         2.455180535    
H         -1.477469727       -0.2230359299         1.964664593    
O          1.405032179       -0.6963776087         1.037107359    
H         0.7858036156       -0.3060105747         1.673119590    
H          1.468839613       -0.3474270704E-01    0.3305141788    
O         -1.036099259       -0.6920546273        -1.857601824    
H        -0.6309126699        -1.508018957        -1.535801093    
H         -1.784285691       -0.5830803733        -1.262360261    
    18
Energy=    -45.2933323196413    
O         0.9995896065         1.053940717        -1.111433346    
H          1.509704603         1.376273917        -1.853300851    
H         0.2649675668        0.5416809770        -1.493180290    
O        -0.3631685297E-02    -2.651999479       -0.2951801570E-01
H         0.6146890356        -1.999574125        0.3884819502    
H         0.4105956046        -3.510792722        0.3851234953E-01
O         -2.327022091        -1.411416372        0.7518583533    
H         -3.084627225        -1.916365278         1.047017441    
H         -1.617332474        -2.056244012        0.5835810280    
O        -0.8217033437        0.2296880712         2.509368585    
H         -1.022262317         1.162348227         2.422297133    
H         -1.477166792       -0.2272826646         1.960376172    
O          1.410099906       -0.7019766510         1.035470479    
H         0.7896911541       -0.3099945999         1.669501552    
H          1.476956803       -0.4010082038E-01    0.3295982424    
O         -1.035039152       -0.6881686960        -1.849970849    
H        -0.6310412953        -1.504856989        -1.528391299    
H         -1.785237850       -0.5798856751        -1.257200457    
    18
Energy=    -45.2947241354506    
O         0.9988871638         1.057261264        -1.109863565    
H          1.512713085         1.375586006        -1.851302147    
H         0.2643798979        0.5460488616        -1.492837664    
O        -0.4830062325E-02    -2.652859149       -0.2593307567E-01
H         0.6145782442        -1.999322777        0.3888109534    
H         0.4098714560        -3.511454527        0.4243929158E-01
O         -2.330588049        -1.414288509        0.7525478465    
H         -3.087529785        -1.921756592         1.045813774    
H         -1.619536176        -2.057437150        0.5840821144    
O        -0.8196413932        0.2287659897         2.508272661    
H         -1.018519140         1.161346038         2.414284676    
H         -1.476551555       -0.2304650209         1.963211318    
O          1.410408973       -0.7009742947         1.031872444    
H         0.7891022559       -0.3107404604         1.666048674    
H          1.475660524       -0.3863598831E-01    0.3261853972    
O         -1.033633969       -0.6861252300        -1.848712349    
H        -0.6298101636        -1.502433452        -1.525996683    
H         -1.783731252       -0.5772411846        -1.255855488    
    18
Energy=    -45.2958560042991    
O         0.9977598259         1.060129088        -1.109331030    
H          1.515048480         1.371553952        -1.851414295    
H         0.2642962575        0.5460587819        -1.490920088    
O        -0.5344364276E-02    -2.653927354       -0.2750401071E-01
H         0.6140319497        -2.000870672        0.3877621675    
H         0.4080177304        -3.512993888        0.4235156264E-01
O         -2.329488193        -1.416250935        0.7540151503    
H         -3.087013931        -1.922751848         1.047256236    
H         -1.619405477        -2.060372853        0.5851115023    
O        -0.8209923498        0.2292096901         2.509388136    
H         -1.018287024         1.161571882         2.412384222    
H         -1.476821142       -0.2304093136         1.963479860    
O          1.408884852       -0.6996496986         1.029617016    
H         0.7891968679       -0.3095912491         1.665403535    
H          1.472036008       -0.3691863696E-01    0.3239042700    
O         -1.031912846       -0.6829665149        -1.847048311    
H        -0.6268575990        -1.499998712        -1.527717869    
H         -1.781918991       -0.5765478960        -1.253669874    
    18
Energy=    -45.2974841563920    
O          1.008670934         1.059245598        -1.110130829    
H          1.527027774         1.360453268        -1.855637279    
H         0.2681231807        0.5517885421        -1.486626920    
O        -0.3912495347E-02    -2.654185508       -0.3334815568E-01
H         0.6137278772        -2.001142420        0.3844146427    
H         0.4136176666        -3.511836757        0.2919893103E-01
O         -2.329748510        -1.427304474        0.7599077270    
H         -3.083566303        -1.935920485         1.058718362    
H         -1.618373547        -2.068962282        0.5872364559    
O        -0.8274291736        0.2359027214         2.502251723    
H         -1.024920641         1.166619874         2.391563931    
H         -1.480701597       -0.2318477214         1.960001111    
O          1.405911489       -0.7006545700         1.031637547    
H         0.7839864950       -0.3093924133         1.664550550    
H          1.474307839       -0.3814378848E-01    0.3263097990    
O         -1.037619642       -0.6710258971        -1.835580899    
H        -0.6326632820        -1.490587929        -1.522773626    
H         -1.785208011       -0.5677319324        -1.238624891    
