    18
Energy=    -45.0220092397249    
O          1.678527954       -0.3774968718         1.784495173    
O          1.254316663         1.753263144        0.1232486075E-01
O          1.729825275       -0.8617878171        -1.125954376    
O         -1.464134174         1.407772607       -0.1216782703    
O         -1.070911126        -1.108356695        -1.286733778    
O         -1.139828694       -0.8699757719         1.644299783    
H         0.7440724265       -0.6182363733         1.954263367    
H          1.864686206       -0.7299429598        0.8966336595    
H          1.574121889         1.114368158       -0.6525927922    
H          1.463126533         1.299370046        0.8612690196    
H          2.223298753        -1.415255922        -1.736961838    
H         0.7772292519        -1.068056241        -1.270499709    
H         -1.973289267         2.223972223       -0.1231745982    
H        -0.5035968196         1.673057949       -0.7514184952E-01
H         -1.328335420       -0.2007311725       -0.9872262246    
H         -1.783231007        -1.418399434        -1.854283395    
H         -1.399788725        0.1953419593E-01     1.342337571    
H         -1.150082524        -1.396595251        0.8294841658    
    18
Energy=    -45.0191888992692    
O          1.673886380       -0.3689986647         1.781276751    
O          1.251883169         1.753668688        0.2706831712E-02
O          1.736556636       -0.8677285866        -1.127168497    
O         -1.467345657         1.408525039       -0.1105192325    
O         -1.064997012        -1.097935559        -1.286720058    
O         -1.143901735       -0.8807802447         1.643346885    
H         0.7409357602       -0.6151723256         1.951302759    
H          1.864352044       -0.7261240639        0.8961252767    
H          1.573879605         1.117576143       -0.6635271251    
H          1.461730754         1.298496736        0.8509074452    
H          2.226815570        -1.436680684        -1.726481650    
H         0.7827070494        -1.069104973        -1.270582776    
H         -1.975979147         2.224811418       -0.1162580573    
H        -0.5064512774         1.672973837       -0.6962157420E-01
H         -1.324064573       -0.1916944787       -0.9838846171    
H         -1.778074272        -1.407939378        -1.852955967    
H         -1.408282634        0.1031129317E-01     1.350588926    
H         -1.147643465        -1.397700381        0.8223254477    
    18
Energy=    -45.0165098300629    
O          1.669779668       -0.3632664229         1.777929932    
O          1.253537090         1.756426082       -0.6930178210E-02
O          1.738637233       -0.8710983302        -1.125022738    
O         -1.467306257         1.406233758       -0.1002657106    
O         -1.064822963        -1.097151629        -1.288896014    
O         -1.144390343       -0.8850690157         1.645065115    
H         0.7372389421       -0.6102040843         1.949138156    
H          1.859599179       -0.7223027989        0.8932632757    
H          1.577307338         1.118886950       -0.6708268104    
H          1.462921598         1.304250290        0.8429800622    
H          2.229936109        -1.450373015        -1.713417102    
H         0.7846001338        -1.068589025        -1.272260593    
H         -1.978706894         2.221092004       -0.1036478808    
H        -0.5068912518         1.674181126       -0.6851535153E-01
H         -1.319437188       -0.1929372056       -0.9770975659    
H         -1.774804047        -1.392858642        -1.867071412    
H         -1.408111028        0.5639398110E-02     1.349625095    
H         -1.153080125        -1.406355626        0.8268104873    
    18
Energy=    -45.0151973691621    
O          1.668140420       -0.3610654799         1.777062012    
O          1.254155802         1.757450667       -0.1007445013E-01
O          1.737757638       -0.8717730493        -1.123802257    
O         -1.466375161         1.406369987       -0.9927797827E-01
O         -1.064735386        -1.096660152        -1.290530440    
O         -1.143752937       -0.8865431065         1.645187271    
H         0.7364184529       -0.6102513509         1.949410192    
H          1.857733605       -0.7199510596        0.8922304179    
H          1.577169838         1.118882884       -0.6733693909    
H          1.462021558         1.305675726        0.8403986956    
H          2.230919483        -1.453020674        -1.708536947    
H         0.7842217393        -1.070410215        -1.272090695    
H         -1.978727804         2.220782842       -0.1000259801    
H        -0.5062057757         1.675465424       -0.6584766798E-01
H         -1.319270558       -0.1939830861       -0.9745742952    
H         -1.773581895        -1.388624615        -1.871723890    
H         -1.405636417        0.4227604838E-02     1.348097547    
H         -1.154245406        -1.410068533        0.8283286235    
    18
Energy=    -45.0135738108548    
O          1.666566083       -0.3611998079         1.775865520    
O          1.253114637         1.757345577       -0.1248257915E-01
O          1.738776657       -0.8710068088        -1.125472278    
O         -1.466406379         1.407588938       -0.9754426757E-01
O         -1.063852328        -1.096741997        -1.288545910    
O         -1.145905668       -0.8860159808         1.646244244    
H         0.7361848367       -0.6141133570         1.950523626    
H          1.855422600       -0.7185287759        0.8904819037    
H          1.577033443         1.119109669       -0.6758596148    
H          1.460033585         1.305034382        0.8378260700    
H          2.233801887        -1.454170018        -1.706927017    
H         0.7857329326        -1.073845551        -1.272423234    
H         -1.979375642         2.221225286       -0.9859343228E-01
H        -0.5067642672         1.677244084       -0.6370053322E-01
H         -1.317824946       -0.1939077259       -0.9724140518    
H         -1.770567888        -1.386103311        -1.873445028    
H         -1.405325337        0.4815636650E-02     1.347275675    
H         -1.154637011        -1.410226426        0.8300516744    
    18
Energy=    -45.0112726732583    
O          1.664958310       -0.3596752392         1.773503154    
O          1.253477227         1.758873904       -0.1436427139E-01
O          1.738880929       -0.8708844814        -1.126089798    
O         -1.465860510         1.407306595       -0.9392689704E-01
O         -1.063807338        -1.098025852        -1.286004236    
O         -1.149017244       -0.8851033950         1.648297230    
H         0.7364763784       -0.6170422082         1.951760587    
H          1.852404479       -0.7158190776        0.8872865328    
H          1.575705811         1.121174749       -0.6789739204    
H          1.459650031         1.304370586        0.8351122129    
H          2.235440996        -1.457836384        -1.702468080    
H         0.7862084510        -1.076403222        -1.272024894    
H         -1.979726329         2.220272703       -0.9033954447E-01
H        -0.5063817427         1.677855476       -0.6596014930E-01
H         -1.317005407       -0.1938293761       -0.9730994135    
H         -1.764097843        -1.383115037        -1.880930399    
H         -1.403961786        0.5812736309E-02     1.345427875    
H         -1.157337216        -1.411428664        0.8336547800    
    18
Energy=    -45.0096459186813    
O          1.664248976       -0.3585198987         1.771893527    
O          1.254314856         1.760380037       -0.1495901393E-01
O          1.738225251       -0.8713339983        -1.125088387    
O         -1.465071633         1.406451748       -0.9265004146E-01
O         -1.063940870        -1.098711338        -1.285581647    
O         -1.149736843       -0.8849997680         1.649544521    
H         0.7361354285       -0.6164877792         1.951179461    
H          1.850745348       -0.7141992604        0.8850190846    
H          1.574047275         1.122878933       -0.6806814047    
H          1.460094519         1.304236545        0.8338868351    
H          2.235340675        -1.460448533        -1.698758071    
H         0.7857100442        -1.076986108        -1.270892358    
H         -1.979361888         2.219323406       -0.8347368027E-01
H        -0.5054430961         1.677652561       -0.6818697162E-01
H         -1.317196724       -0.1940291209       -0.9743547019    
H         -1.759839446        -1.381576199        -1.886875874    
H         -1.402145607        0.6124102218E-02     1.344706997    
H         -1.160119071        -1.413251514        0.8361324929    
    18
Energy=    -45.0078690103261    
O          1.663832411       -0.3563929380         1.771077159    
O          1.255071466         1.761952118       -0.1531664985E-01
O          1.736553490       -0.8718712000        -1.123790429    
O         -1.463548671         1.405180161       -0.9251262339E-01
O         -1.064848383        -1.099538983        -1.286806895    
O         -1.149236629       -0.8855914689         1.650287986    
H         0.7356381678       -0.6134707231         1.951018081    
H          1.849338642       -0.7121837161        0.8838742486    
H          1.572974081         1.124804862       -0.6821090104    
H          1.461216046         1.304949419        0.8331382236    
H          2.233600355        -1.463927278        -1.694160686    
H         0.7839941267        -1.076723102        -1.269786235    
H         -1.978236215         2.217711717       -0.7524189094E-01
H        -0.5037468888         1.677060778       -0.7006972495E-01
H         -1.318635040       -0.1949237445       -0.9761443684    
H         -1.756362867        -1.379802597        -1.894196864    
H         -1.398900263        0.5608176730E-02     1.343104794    
H         -1.162696635        -1.416337668        0.8384956520    
    18
Energy=    -45.0057214567573    
O          1.663629749       -0.3558175956         1.770176019    
O          1.254974654         1.762972435       -0.1551238129E-01
O          1.735359138       -0.8723645732        -1.122152691    
O         -1.461987373         1.404373151       -0.9334628513E-01
O         -1.064902025        -1.099722936        -1.287998865    
O         -1.148474172       -0.8863361266         1.651090833    
H         0.7345717183       -0.6101107504         1.949439235    
H          1.847892367       -0.7108459740        0.8822469586    
H          1.571346441         1.126400359       -0.6835168415    
H          1.461815603         1.305328108        0.8324537491    
H          2.232532566        -1.466168980        -1.690498996    
H         0.7828544184        -1.076783210        -1.268190148    
H         -1.977146376         2.216723341       -0.6895329391E-01
H        -0.5021380861         1.676870861       -0.7099540575E-01
H         -1.319715547       -0.1955714866       -0.9772213832    
H         -1.753293213        -1.378659785        -1.899524502    
H         -1.395850724        0.5216289785E-02     1.342881436    
H         -1.165461943        -1.418999313        0.8404833303    
    18
Energy=    -45.0043384644576    
O          1.663743775       -0.3558058937         1.770011675    
O          1.254235618         1.763193973       -0.1561547185E-01
O          1.734730316       -0.8724683123        -1.121401990    
O         -1.460883521         1.404071718       -0.9416077964E-01
O         -1.064933368        -1.099704886        -1.288880628    
O         -1.148020115       -0.8869763454         1.651373622    
H         0.7340662691       -0.6078429179         1.948960156    
H          1.846990667       -0.7101236828        0.8816376077    
H          1.570744709         1.127133687       -0.6841668943    
H          1.462170980         1.305636804        0.8320668816    
H          2.231891616        -1.467197757        -1.688783535    
H         0.7821406845        -1.076914387        -1.267493021    
H         -1.976499482         2.216226773       -0.6610994483E-01
H        -0.5011679286         1.676914398       -0.7103174306E-01
H         -1.320436530       -0.1959463913       -0.9775967213    
H         -1.752050386        -1.378167725        -1.902002193    
H         -1.393994181        0.4808705846E-02     1.342809653    
H         -1.166721926        -1.420333947        0.8412440958    
    18
Energy=    -45.0025458563347    
O          1.664513443       -0.3568075425         1.768367157    
O          1.253112488         1.763044182       -0.1595282311E-01
O          1.735389150       -0.8724106276        -1.120273270    
O         -1.460827369         1.403987798       -0.9549448652E-01
O         -1.063448772        -1.099770332        -1.289099088    
O         -1.149476218       -0.8869702577         1.652489305    
H         0.7347475734       -0.6070707404         1.949163842    
H          1.844988749       -0.7106071304        0.8794949669    
H          1.570894364         1.127576060       -0.6849860934    
H          1.462782235         1.305638486        0.8311655756    
H          2.232657383        -1.467591503        -1.688093762    
H         0.7824374032        -1.077088933        -1.267304826    
H         -1.976932625         2.215868034       -0.6302186880E-01
H        -0.5014243802         1.677101628       -0.7128655096E-01
H         -1.320445559       -0.1964188428       -0.9770527919    
H         -1.749137252        -1.378175896        -1.903850242    
H         -1.394085184        0.5549912479E-02     1.344960734    
H         -1.169738233        -1.419350481        0.8416349899    
    18
Energy=    -44.9992371314630    
O          1.663594056       -0.3573924568         1.764653237    
O          1.253323753         1.764689413       -0.1755498641E-01
O          1.736820377       -0.8716729406        -1.121496242    
O         -1.461398332         1.402819248       -0.9789885204E-01
O         -1.062582752        -1.102084320        -1.289508249    
O         -1.150343946       -0.8830196869         1.655730375    
H         0.7336303992       -0.6065060226         1.945072890    
H          1.843865033       -0.7121705670        0.8759343635    
H          1.575125502         1.130990128       -0.6855837345    
H          1.464012877         1.307543021        0.8295095696    
H          2.231156467        -1.472722616        -1.685027517    
H         0.7833172404        -1.075731856        -1.263986660    
H         -1.977704536         2.213127927       -0.4981531747E-01
H        -0.5027115664         1.675288030       -0.7206282902E-01
H         -1.320165927       -0.1989353114       -0.9784980522    
H         -1.741441101        -1.377574169        -1.912950062    
H         -1.396949547        0.7865680321E-02     1.347025768    
H         -1.175540802        -1.418009688        0.8473170671    
    18
Energy=    -44.9913756263639    
O          1.663750201       -0.3522822340         1.762487053    
O          1.257845685         1.768477984       -0.1940870020E-01
O          1.735970806       -0.8712163519        -1.122667892    
O         -1.462680306         1.399431636       -0.9953427173E-01
O         -1.064550272        -1.106253428        -1.292686547    
O         -1.151267578       -0.8794497897         1.657564217    
H         0.7356380980       -0.6057151606         1.947281556    
H          1.843655231       -0.7120826850        0.8757130895    
H          1.583315711         1.134089006       -0.6849583984    
H          1.467448415         1.312030089        0.8283125714    
H          2.226154500        -1.481401311        -1.680022838    
H         0.7811700638        -1.071710871        -1.263154120    
H         -1.978647730         2.208164678       -0.3174048450E-01
H        -0.5041195921         1.671418461       -0.7452008561E-01
H         -1.322419863       -0.2029650535       -0.9816711537    
H         -1.735255889        -1.375671836        -1.927412938    
H         -1.399889740        0.9653952912E-02     1.345185389    
H         -1.180110544        -1.418013272        0.8520943204    
    18
Energy=    -44.9885912360620    
O          1.663330662       -0.3489208209         1.762560878    
O          1.260697372         1.770027635       -0.1943903732E-01
O          1.734692275       -0.8714439343        -1.122712351    
O         -1.462967169         1.398110633       -0.9956534851E-01
O         -1.065986358        -1.107431525        -1.294118941    
O         -1.150259385       -0.8790622216         1.657266893    
H         0.7360223980       -0.6050342630         1.948534402    
H          1.844513469       -0.7115446598        0.8770304748    
H          1.584905790         1.134599568       -0.6845877469    
H          1.468467312         1.313269349        0.8286651635    
H          2.223832638        -1.484049393        -1.678131186    
H         0.7797493987        -1.070026450        -1.263486768    
H         -1.978602837         2.207078202       -0.2731105763E-01
H        -0.5039618394         1.669869823       -0.7535826891E-01
H         -1.323649281       -0.2041309521       -0.9829847279    
H         -1.735066022        -1.374762210        -1.931542570    
H         -1.399544812        0.9535244325E-02     1.343084663    
H         -1.180166415        -1.419580210        0.8529562971    
    18
Energy=    -44.9840944888965    
O          1.662706280       -0.3460747579         1.763370057    
O          1.262683144         1.771030001       -0.1891856372E-01
O          1.733328802       -0.8719800100        -1.123425639    
O         -1.463159875         1.396391336       -0.9939603019E-01
O         -1.066829860        -1.108441329        -1.295179816    
O         -1.149114519       -0.8787400942         1.656782457    
H         0.7354036751       -0.6035681045         1.948967200    
H          1.845830950       -0.7107319722        0.8788028216    
H          1.585790230         1.135439349       -0.6846181925    
H          1.468653467         1.313807074        0.8294118615    
H          2.221696612        -1.486622992        -1.676684539    
H         0.7783341786        -1.068366252        -1.264545054    
H         -1.978337651         2.206656581       -0.2404613087E-01
H        -0.5023730961         1.669265499       -0.7586448579E-01
H         -1.325536262       -0.2051117712       -0.9834598388    
H         -1.735153284        -1.374073640        -1.934849047    
H         -1.398412859        0.9321052956E-02     1.340438533    
H         -1.179502737        -1.421696157        0.8540751746    
    18
Energy=    -44.9825849202075    
O          1.665363530       -0.3431579118         1.767440262    
O          1.265742327         1.773163902       -0.2047426604E-01
O          1.729107282       -0.8727443179        -1.122025530    
O         -1.460115636         1.394407547       -0.9866437401E-01
O         -1.071347915        -1.108939462        -1.299715868    
O         -1.150061794       -0.8803957129         1.655461934    
H         0.7385596242       -0.6005800404         1.953067902    
H          1.847242195       -0.7056480556        0.8821216566    
H          1.590285031         1.136505843       -0.6845582565    
H          1.469773641         1.319343589        0.8300606313    
H          2.216811602        -1.491119690        -1.672645908    
H         0.7737354839        -1.066779069        -1.264567641    
H         -1.977028010         2.201977810       -0.1733930621E-01
H        -0.5011075471         1.667643954       -0.7712343785E-01
H         -1.329867564       -0.2074320745       -0.9868902281    
H         -1.737188705        -1.371844112        -1.942395172    
H         -1.396550842        0.7674870125E-02     1.335354877    
H         -1.177345507        -1.425573257        0.8537534923    
    18
Energy=    -44.9777086514161    
O          1.667005383       -0.3432460968         1.770535730    
O          1.265705533         1.773719775       -0.2164845443E-01
O          1.727209831       -0.8728732057        -1.123156531    
O         -1.458216083         1.392400199       -0.9758490881E-01
O         -1.073799855        -1.109972684        -1.301748794    
O         -1.151775761       -0.8799190148         1.655162512    
H         0.7396136883       -0.5989502204         1.954070889    
H          1.848725832       -0.7022809384        0.8840733581    
H          1.594921473         1.138508581       -0.6849416027    
H          1.469718628         1.323303468        0.8304360747    
H          2.213712550        -1.495007771        -1.670729507    
H         0.7714409599        -1.065971278        -1.264342230    
H         -1.976486486         2.198721621       -0.1212791255E-01
H        -0.4992257400         1.667584078       -0.7783782659E-01
H         -1.332892623       -0.2088493164       -0.9887814015    
H         -1.737362315        -1.370741669        -1.947757668    
H         -1.396710149        0.7331463593E-02     1.332023228    
H         -1.175577672        -1.427253176        0.8552158115    
    18
Energy=    -44.9726069992777    
O          1.668292861       -0.3458324617         1.771620001    
O          1.263911993         1.773480114       -0.2290429266E-01
O          1.727516790       -0.8725206265        -1.124415452    
O         -1.457335812         1.391634751       -0.9668996861E-01
O         -1.074417931        -1.110708628        -1.301878185    
O         -1.154665128       -0.8784478573         1.655953933    
H         0.7401706114       -0.5995658460         1.953387613    
H          1.849562569       -0.7008289012        0.8838113205    
H          1.598815107         1.140085651       -0.6850214605    
H          1.469382843         1.325648361        0.8299244339    
H          2.213006685        -1.496831861        -1.670741771    
H         0.7713912036        -1.066188335        -1.263544927    
H         -1.976864913         2.196649575       -0.9351793225E-02
H        -0.4988319879         1.668092519       -0.7823121657E-01
H         -1.333673354       -0.2092459084       -0.9893318132    
H         -1.736165901        -1.370795055        -1.950109760    
H         -1.398926623        0.7998669170E-02     1.331672669    
H         -1.175161817        -1.426120346        0.8567114368    
    18
Energy=    -44.9678406798202    
O          1.668628966       -0.3475228331         1.773413449    
O          1.261148761         1.772773484       -0.2331580220E-01
O          1.728743236       -0.8713630281        -1.128934312    
O         -1.456734345         1.391298833       -0.9570329179E-01
O         -1.074495965        -1.111434692        -1.301090429    
O         -1.155016643       -0.8767086476         1.657197500    
H         0.7399807307       -0.5988300870         1.955333175    
H          1.848255383       -0.7011430486        0.8843436335    
H          1.601450435         1.141720134       -0.6843883041    
H          1.468902492         1.325021036        0.8288302766    
H          2.212253479        -1.499051510        -1.671812114    
H         0.7726900881        -1.066258053        -1.265608887    
H         -1.977294677         2.195743150       -0.7424247736E-02
H        -0.4985332212         1.668818235       -0.7857558566E-01
H         -1.334108003       -0.2098340471       -0.9881579804    
H         -1.733775808        -1.371566685        -1.951471913    
H         -1.401000358        0.9489132311E-02     1.330776691    
H         -1.175087356        -1.424647559        0.8574489095    
    18
Energy=    -44.9605581858089    
O          1.667113289       -0.3465568521         1.775940611    
O          1.259416684         1.773001127       -0.2198989498E-01
O          1.729717910       -0.8700395722        -1.135082488    
O         -1.455455565         1.391623461       -0.9469405398E-01
O         -1.074858326        -1.113018660        -1.300194975    
O         -1.152781335       -0.8743078916         1.657738571    
H         0.7362482680       -0.5955987844         1.955191695    
H          1.848401299       -0.7016641979        0.8873270936    
H          1.602392957         1.144060479       -0.6836627426    
H          1.467561207         1.322034550        0.8285726199    
H          2.210244202        -1.503661757        -1.672864648    
H         0.7730240653        -1.064895091        -1.269531238    
H         -1.976401444         2.195413986       -0.4830401449E-02
H        -0.4979563302         1.668679422       -0.7843099100E-01
H         -1.335530927       -0.2108844973       -0.9860914060    
H         -1.731386795        -1.372203784        -1.953774375    
H         -1.399994950        0.1008659248E-01     1.327133537    
H         -1.173747014        -1.425564716        0.8601038560    
    18
Energy=    -44.9385701716825    
O          1.665680968       -0.3327271559         1.785751804    
O          1.265358363         1.777702180       -0.1902275937E-01
O          1.721134648       -0.8707333941        -1.137629289    
O         -1.448796748         1.388890154       -0.9372338506E-01
O         -1.082163195        -1.113431731        -1.308190821    
O         -1.140315228       -0.8784543323         1.651657279    
H         0.7335545667       -0.5818580225         1.963141827    
H          1.849843274       -0.6951824634        0.9001681177    
H          1.599974878         1.145469768       -0.6818374103    
H          1.468136998         1.321235703        0.8308097124    
H          2.198456913        -1.513161423        -1.665880923    
H         0.7643780263        -1.060848156        -1.277600030    
H         -1.970028314         2.192219421        0.1925446863E-02
H        -0.4920160376         1.666590221       -0.7920767903E-01
H         -1.345703547       -0.2142765234       -0.9869610468    
H         -1.736997907        -1.369254507        -1.964237666    
H         -1.387097855        0.3164882905E-02     1.311201566    
H         -1.167392605        -1.438840808        0.8604960240    
    18
Energy=    -44.9336226582644    
O          1.665409862       -0.3311795826         1.787077477    
O          1.266173555         1.779070984       -0.1882584366E-01
O          1.720047978       -0.8707565881        -1.138076470    
O         -1.448036811         1.388331752       -0.9358581517E-01
O         -1.083374682        -1.113255774        -1.309207257    
O         -1.138664041       -0.8787618050         1.650834482    
H         0.7327841622       -0.5799671145         1.963587109    
H          1.850338319       -0.6942332490        0.9019230811    
H          1.599737070         1.145601722       -0.6817794489    
H          1.467980311         1.320780550        0.8314956426    
H          2.196867837        -1.514744362        -1.665063579    
H         0.7632640511        -1.060262492        -1.278588880    
H         -1.969185058         2.191876714        0.2999986924E-02
H        -0.4910485534         1.666319726       -0.7924424229E-01
H         -1.346992202       -0.2150728051       -0.9871093412    
H         -1.737430749        -1.368855563        -1.965570634    
H         -1.385399602        0.2247944363E-02     1.308995399    
H         -1.166464250        -1.440636244        0.8609991018    
    18
Energy=    -44.9056168021732    
O          1.664153816       -0.3171600070         1.794601440    
O          1.275213325         1.784206521       -0.1613238906E-01
O          1.709430206       -0.8734131047        -1.133994655    
O         -1.441486430         1.385145805       -0.9334766988E-01
O         -1.091095733        -1.112787802        -1.318724778    
O         -1.128623150       -0.8846107571         1.644397227    
H         0.7312708380       -0.5682111453         1.966545373    
H          1.855220523       -0.6856768377        0.9135353713    
H          1.596476198         1.146358678       -0.6802874086    
H          1.468752794         1.323443792        0.8341956553    
H          2.185481080        -1.522254667        -1.656091047    
H         0.7527475369        -1.056190706        -1.282413652    
H         -1.962427498         2.188196855        0.9232233248E-02
H        -0.4848213768         1.663838604       -0.7989033483E-01
H         -1.357355310       -0.2179080738       -0.9899864234    
H         -1.745747037        -1.365018822        -1.976141737    
H         -1.371444048       -0.5851527528E-02     1.293810196    
H         -1.159738538        -1.455602990        0.8615533676    
    18
Energy=    -44.8886367578132    
O          1.663582429       -0.3104341335         1.797393828    
O          1.281143014         1.787532704       -0.1510350215E-01
O          1.703292958       -0.8756632382        -1.128943418    
O         -1.438288042         1.383153179       -0.9356451692E-01
O         -1.095374174        -1.111982899        -1.324176678    
O         -1.125071471       -0.8881615075         1.641174561    
H         0.7309580840       -0.5632557092         1.965159561    
H          1.859545448       -0.6803074098        0.9186427365    
H          1.594681661         1.146431291       -0.6798019947    
H          1.469027044         1.326267967        0.8359512076    
H          2.179979020        -1.525328859        -1.650721854    
H         0.7465798006        -1.054093195        -1.282211605    
H         -1.958932856         2.186147873        0.1231721755E-01
H        -0.4814899011         1.662418235       -0.8010022667E-01
H         -1.362571140       -0.2193259422       -0.9923840233    
H         -1.750886758        -1.362703684        -1.981501761    
H         -1.364056422       -0.1032159843E-01     1.286530403    
H         -1.156111497        -1.463869258        0.8622008333    
    18
Energy=    -44.8803808428505    
O          1.663504567       -0.3079112528         1.797874191    
O          1.284448957         1.789311930       -0.1489788601E-01
O          1.700213728       -0.8772675752        -1.124711456    
O         -1.437024564         1.382134582       -0.9383784983E-01
O         -1.097270038        -1.111290452        -1.326951419    
O         -1.124748990       -0.8900693977         1.639919467    
H         0.7313451820       -0.5619882075         1.962777493    
H          1.862536493       -0.6773193685        0.9201651606    
H          1.593902405         1.146273878       -0.6795376268    
H          1.469138493         1.328532716        0.8366241351    
H          2.177854911        -1.526008221        -1.647897148    
H         0.7434574527        -1.053259949        -1.280739378    
H         -1.957420111         2.184997507        0.1352434711E-01
H        -0.4799658110         1.661796821       -0.8019108091E-01
H         -1.364824499       -0.2197438816       -0.9938631287    
H         -1.753699104        -1.361587397        -1.983809334    
H         -1.360913935       -0.1244286315E-01     1.283814953    
H         -1.154527939        -1.467655054        0.8625973277    
    18
Energy=    -44.8752781056721    
O          1.663689991       -0.3076880650         1.797566964    
O          1.286582241         1.790453361       -0.1505202982E-01
O          1.698936904       -0.8783307746        -1.121729096    
O         -1.437006615         1.381729493       -0.9410755602E-01
O         -1.097873102        -1.110724827        -1.328119674    
O         -1.125881765       -0.8909034659         1.639704724    
H         0.7318555697       -0.5621147709         1.960422504    
H          1.864469666       -0.6757737428        0.9200653718    
H          1.593533707         1.146109587       -0.6794764928    
H          1.468779449         1.329932721        0.8368115590    
H          2.177424606        -1.525884606        -1.646725176    
H         0.7421411918        -1.052931957        -1.279324852    
H         -1.956889722         2.184349506        0.1385237661E-01
H        -0.4793985017         1.661524872       -0.8015613344E-01
H         -1.365592095       -0.2198918173       -0.9945760230    
H         -1.754892146        -1.361132432        -1.984495424    
H         -1.359874445       -0.1319939371E-01     1.283286846    
H         -1.153997737        -1.469019873        0.8629128793    
    18
Energy=    -44.8550022759034    
O          1.664656202       -0.3095033951         1.796827671    
O          1.289956377         1.792046231       -0.1598678975E-01
O          1.698153487       -0.8796718340        -1.117551455    
O         -1.438889419         1.382248547       -0.9425283937E-01
O         -1.097502117        -1.109672553        -1.329123482    
O         -1.128279575       -0.8913325834         1.639923918    
H         0.7330275217       -0.5635517580         1.957026427    
H          1.866553492       -0.6741111664        0.9185415182    
H          1.592974768         1.145898501       -0.6793751308    
H          1.467485960         1.331666151        0.8366471666    
H          2.177881791        -1.524875801        -1.646044388    
H         0.7414574711        -1.053161749        -1.277190674    
H         -1.956207048         2.182345413        0.1350552399E-01
H        -0.4786944059         1.661651603       -0.8030382583E-01
H         -1.366188653       -0.2197279489       -0.9949162798    
H         -1.755560854        -1.360983660        -1.984254279    
H         -1.360500178       -0.1352776756E-01     1.284260447    
H         -1.154317623        -1.469232416        0.8631272386    
    18
Energy=    -44.8486223152571    
O          1.660092506       -0.2913969118         1.798919477    
O          1.284567474         1.790881285       -0.1373843520E-01
O          1.687679150       -0.8803520224        -1.112599481    
O         -1.429411257         1.379013468       -0.9426895069E-01
O         -1.108383144        -1.110981477        -1.337490669    
O         -1.117086519       -0.8980658926         1.634003819    
H         0.7313369767       -0.5577357530         1.957649852    
H          1.871217635       -0.6684386978        0.9283808492    
H          1.593951023         1.145223950       -0.6766053321    
H          1.478203814         1.338037262        0.8388923368    
H          2.169052412        -1.528079660        -1.635489666    
H         0.7304049198        -1.051314715        -1.271963460    
H         -1.951017497         2.181843869        0.1808695208E-01
H        -0.4727584000         1.659921326       -0.8034417070E-01
H         -1.370120957       -0.2191299037        -1.003063173    
H         -1.767507775        -1.357075146        -1.994389005    
H         -1.347350278       -0.2237912945E-01     1.271899185    
H         -1.146862887        -1.483468037        0.8629806399    
    18
Energy=    -44.8265970010896    
O          1.657875436       -0.2804372151         1.801355121    
O          1.280076175         1.789101768       -0.1289901081E-01
O          1.682102367       -0.8793462662        -1.112680161    
O         -1.426666202         1.378932536       -0.9398433399E-01
O         -1.115189838        -1.112205280        -1.341951023    
O         -1.109104083       -0.9021871837         1.630050766    
H         0.7310865812       -0.5528983726         1.963140984    
H          1.870723010       -0.6661876058        0.9350995940    
H          1.594616268         1.144779803       -0.6748026624    
H          1.485146557         1.340549509        0.8402161603    
H          2.164019255        -1.530474625        -1.630205461    
H         0.7245359891        -1.050404543        -1.270923882    
H         -1.946982588         2.180144258        0.2025493564E-01
H        -0.4683283979         1.659198179       -0.8028413664E-01
H         -1.371803576       -0.2189487051        -1.007693210    
H         -1.773963931        -1.354788951        -1.999998608    
H         -1.339475594       -0.2737076437E-01     1.264707062    
H         -1.142660233        -1.490952727        0.8614586334    
    18
Energy=    -44.7995210751861    
O          1.655491602       -0.2740872260         1.803752243    
O          1.272953851         1.785251966       -0.1145738724E-01
O          1.682188241       -0.8764736721        -1.121077918    
O         -1.425425567         1.380159994       -0.9310690315E-01
O         -1.117023827        -1.114581509        -1.341215498    
O         -1.102166996       -0.9021743131         1.628558091    
H         0.7285763465       -0.5486657901         1.971757644    
H          1.866524160       -0.6689499381        0.9398556698    
H          1.595427775         1.145740461       -0.6741042381    
H          1.489063384         1.337067051        0.8412323354    
H          2.161723368        -1.533373649        -1.630616230    
H         0.7247816495        -1.049628415        -1.276096684    
H         -1.945638166         2.180849640        0.2115513200E-01
H        -0.4671476411         1.659385323       -0.8024346249E-01
H         -1.371750468       -0.2193781365        -1.007316155    
H         -1.773662181        -1.354668574        -2.001681378    
H         -1.336607062       -0.2777985206E-01     1.260789934    
H         -1.141301274        -1.492189546        0.8606755737    
    18
Energy=    -44.7741821639720    
O          1.658160802       -0.2673739526         1.809137861    
O          1.275342664         1.785510361       -0.1488762172E-01
O          1.675859650       -0.8729448865        -1.115197851    
O         -1.422413416         1.377078094       -0.9415552527E-01
O         -1.125855731        -1.115568052        -1.348605019    
O         -1.093532774       -0.9098943008         1.623271435    
H         0.7308182719       -0.5433544019         1.980774298    
H          1.864788963       -0.6633649941        0.9446856830    
H          1.594718226         1.143887822       -0.6717019954    
H          1.494643184         1.344544215        0.8414100685    
H          2.153488877        -1.533544262        -1.623732196    
H         0.7194660165        -1.053367688        -1.270999928    
H         -1.941965494         2.179410348        0.2285464084E-01
H        -0.4639389786         1.657514015       -0.7947104835E-01
H         -1.373165735       -0.2170946477        -1.016486143    
H         -1.783896357        -1.350302899        -2.007012511    
H         -1.328785088       -0.3606060555E-01     1.254885403    
H         -1.137725883        -1.498570349        0.8560912167    
    18
Energy=    -44.6692109573227    
O          1.664831430       -0.2521072800         1.818790144    
O          1.290773204         1.797358495       -0.2303651289E-01
O          1.654238891       -0.8701142346        -1.080414705    
O         -1.414990153         1.369184152       -0.1007061460    
O         -1.153922989        -1.117076967        -1.370823331    
O         -1.083692160       -0.9362168748         1.614183726    
H         0.7399504941       -0.5325650167         1.980331986    
H          1.873676914       -0.6408811129        0.9517460893    
H          1.594314067         1.133496708       -0.6687151231    
H          1.507937060         1.376306173        0.8419960677    
H          2.126960104        -1.528343726        -1.595798295    
H         0.7020191984        -1.063672059        -1.238448055    
H         -1.928260510         2.173145301        0.2853198165E-01
H        -0.4578256088         1.647560683       -0.7332148068E-01
H         -1.374462723       -0.2093847940        -1.051521523    
H         -1.822804960        -1.334952963        -2.026515521    
H         -1.299633364       -0.6225341716E-01     1.238375157    
H         -1.123101698        -1.522979253        0.8462063077    
    18
Energy=    -44.6221103358929    
O          1.666684865       -0.2498887327         1.821262373    
O          1.296661237         1.802370394       -0.2425785838E-01
O          1.647660143       -0.8706429769        -1.070407746    
O         -1.412706026         1.366946827       -0.1022057491    
O         -1.162206395        -1.116337214        -1.377460680    
O         -1.079444357       -0.9425310573         1.611052549    
H         0.7413521320       -0.5306134514         1.977163730    
H          1.877557668       -0.6334998037        0.9531927504    
H          1.594016319         1.130043485       -0.6682903757    
H          1.510423180         1.386750482        0.8407145769    
H          2.121896842        -1.526713916        -1.587640044    
H         0.6949087329        -1.066172363        -1.225580186    
H         -1.924889709         2.170763757        0.3022651294E-01
H        -0.4551690466         1.644438018       -0.7189919497E-01
H         -1.374349965       -0.2069303515        -1.062118726    
H         -1.834032542        -1.330980324        -2.031966268    
H         -1.293178972       -0.6940391037E-01     1.234778626    
H         -1.119176909        -1.531095050        0.8442964770    
    18
Energy=    -44.5782928098372    
O          1.672357880       -0.2453141742         1.829384394    
O          1.306027657         1.809675310       -0.3152264999E-01
O          1.634206900       -0.8727231951        -1.059968534    
O         -1.407217768         1.363472935       -0.1036956774    
O         -1.174310037        -1.116097761        -1.390383550    
O         -1.067417284       -0.9544019485         1.602757845    
H         0.7482332906       -0.5241771287         1.988310922    
H          1.876535151       -0.6216684774        0.9575834291    
H          1.592198463         1.124753588       -0.6653913728    
H          1.516336221         1.400651017        0.8406686397    
H          2.117596137        -1.524559998        -1.575334467    
H         0.6806902047        -1.068222837        -1.209431700    
H         -1.921247879         2.166141583        0.3225865410E-01
H        -0.4499218530         1.639504997       -0.7173319175E-01
H         -1.376670284       -0.2007660204        -1.076182465    
H         -1.852367757        -1.325598096        -2.041250527    
H         -1.284614067       -0.7942250743E-01     1.229315625    
H         -1.114407779        -1.544743473        0.8354753939    
    18
Energy=    -44.5468598244107    
O          1.675752897       -0.2428444270         1.834377847    
O          1.311418580         1.813362683       -0.3403391283E-01
O          1.626279341       -0.8748278064        -1.054287595    
O         -1.403371398         1.361440083       -0.1036333060    
O         -1.181053994        -1.113484905        -1.398364582    
O         -1.058708913       -0.9598236683         1.596364039    
H         0.7515728404       -0.5218671745         1.995251893    
H          1.876392930       -0.6149028413        0.9593466296    
H          1.591098597         1.121698857       -0.6637897083    
H          1.519292294         1.408948478        0.8390654082    
H          2.115676598        -1.522621524        -1.568422486    
H         0.6726638355        -1.069767383        -1.200776007    
H         -1.919582516         2.162463128        0.3312352840E-01
H        -0.4461507610         1.637790382       -0.7295829371E-01
H         -1.378786298       -0.1985953391        -1.083238982    
H         -1.861179827        -1.323222745        -2.045317888    
H         -1.282353929       -0.8558682862E-01     1.227098938    
H         -1.112953081        -1.551655155        0.8310552431    
    18
Energy=    -44.4923491842103    
O          1.681621216       -0.2390389643         1.844201326    
O          1.316169939         1.816583225       -0.3785554188E-01
O          1.617006913       -0.8759110279        -1.052132287    
O         -1.398312954         1.359101927       -0.1024964143    
O         -1.186913402        -1.110457292        -1.407434790    
O         -1.043149066       -0.9678786351         1.586028265    
H         0.7550634168       -0.5174475393         2.014857553    
H          1.872482211       -0.6079049224        0.9618690569    
H          1.589610554         1.117770652       -0.6619705410    
H          1.523669677         1.416384728        0.8377035108    
H          2.113621357        -1.520963448        -1.562027748    
H         0.6638065329        -1.072268986        -1.195978210    
H         -1.918389189         2.157572514        0.3357231790E-01
H        -0.4410418789         1.636901038       -0.7597208178E-01
H         -1.382871152       -0.1954275404        -1.089193191    
H         -1.870951397        -1.321448891        -2.050251936    
H         -1.282247870       -0.9167607916E-01     1.224097174    
H         -1.113167712        -1.557386943        0.8238443063    
    18
Energy=    -44.4178113966211    
O          1.684250639       -0.2366440404         1.849383171    
O          1.318476074         1.817342509       -0.3965136342E-01
O          1.613269275       -0.8739648487        -1.050536030    
O         -1.395058353         1.357415700       -0.1013356998    
O         -1.188695319        -1.107217410        -1.411112718    
O         -1.032382363       -0.9733009232         1.579093154    
H         0.7585061871       -0.5154630589         2.026919872    
H          1.868108210       -0.6049012321        0.9641451760    
H          1.588687319         1.115839447       -0.6614873560    
H          1.525881842         1.420119543        0.8370767583    
H          2.111642185        -1.520816016        -1.559411392    
H         0.6592451453        -1.075379612        -1.195433661    
H         -1.917367254         2.154403324        0.3361839265E-01
H        -0.4385281723         1.637510929       -0.7828230058E-01
H         -1.385805902       -0.1946761161        -1.092122629    
H         -1.876251324        -1.320913196        -2.053205581    
H         -1.284236901       -0.9430782759E-01     1.222104267    
H         -1.113734092        -1.558543356        0.8210987082    
    18
Energy=    -44.2886213080393    
O          1.704504294       -0.2114989337         1.858489849    
O          1.339025290         1.828897821       -0.5074144971E-01
O          1.577997095       -0.8901077257       -0.9922853974    
O         -1.372792793         1.343452193       -0.9823619436E-01
O         -1.201373645        -1.087551334        -1.454349555    
O         -1.015476112       -0.9964310276         1.557901532    
H         0.7944226749       -0.5234046412         2.050169523    
H          1.872117085       -0.5727957274        0.9686565816    
H          1.586016894         1.101525104       -0.6534295321    
H          1.545585840         1.454793341        0.8361761554    
H          2.091269032        -1.501394028        -1.525682460    
H         0.6313038038        -1.087347348        -1.182494723    
H         -1.909570767         2.130895841        0.3334782078E-01
H        -0.4221592111         1.644994527       -0.9456460674E-01
H         -1.415937252       -0.1886940186        -1.103651724    
H         -1.908588097        -1.314237044        -2.065853964    
H         -1.283828981       -0.1238704332         1.212656653    
H         -1.116507955        -1.580722750        0.7947522589    
    18
Energy=    -44.2634720777449    
O          1.705990568       -0.2087166918         1.857892137    
O          1.341323215         1.830037025       -0.5159036449E-01
O          1.574449074       -0.8923990576       -0.9836736252    
O         -1.370591836         1.342064631       -0.9825013383E-01
O         -1.202492075        -1.085188543        -1.458854418    
O         -1.016747396       -0.9990431475         1.556923323    
H         0.7990786472       -0.5250238644         2.049605348    
H          1.874173546       -0.5692645891        0.9684513159    
H          1.585913336         1.100192393       -0.6524170113    
H          1.547651066         1.458656240        0.8361272844    
H          2.089234258        -1.499115384        -1.522063076    
H         0.6282686187        -1.088177874        -1.181092153    
H         -1.908713612         2.128546115        0.3327931238E-01
H        -0.4208551304         1.645827511       -0.9609722786E-01
H         -1.419196836       -0.1886564510        -1.104529326    
H         -1.911751824        -1.313493603        -2.066957233    
H         -1.283137472       -0.1265968831         1.211726297    
H         -1.116588953        -1.583144013        0.7923803204    
    18
Energy=    -44.2476402676269    
O          1.705032193       -0.2091426061         1.852618607    
O          1.343154436         1.832159310       -0.5224630466E-01
O          1.572741864       -0.8969446124       -0.9731948394    
O         -1.369295463         1.341333266       -0.9837942954E-01
O         -1.201556124        -1.083113679        -1.460931533    
O         -1.022415053       -0.9994149212         1.559706566    
H         0.7983236704       -0.5307277828         2.034394107    
H          1.883508519       -0.5660745770        0.9654242542    
H          1.586126255         1.100768121       -0.6511417393    
H          1.547808907         1.461866462        0.8365921791    
H          2.088310913        -1.495983198        -1.518891917    
H         0.6274610861        -1.088228027        -1.175464131    
H         -1.908316643         2.127075697        0.3347208102E-01
H        -0.4201730406         1.646794736       -0.9676749434E-01
H         -1.420890176       -0.1886356906        -1.104591745    
H         -1.912881926        -1.313616886        -2.066894335    
H         -1.284271599       -0.1266998404         1.211769163    
H         -1.116660622        -1.584911955        0.7953872786    
    18
Energy=    -43.9355734274900    
O          1.728751992       -0.1756235082         1.853422625    
O          1.353972199         1.831507312       -0.5576975384E-01
O          1.542164797       -0.9250101544       -0.9245731528    
O         -1.365970381         1.337531681       -0.1087216699    
O         -1.212622507        -1.076972810        -1.489010799    
O         -1.076958811        -1.038333770         1.551339316    
H         0.8456919411       -0.5204147293         2.076731821    
H          1.887593238       -0.5439323529        0.9663834445    
H          1.588314223         1.086859633       -0.6415955252    
H          1.570400082         1.478074125        0.8368507552    
H          2.079858508        -1.480491239        -1.497204195    
H         0.6081217521        -1.071701668        -1.194016117    
H         -1.906109677         2.121584565        0.3110575039E-01
H        -0.4179797478         1.643035328       -0.9942791223E-01
H         -1.438999868       -0.1954186199        -1.103184126    
H         -1.937357783        -1.305670052        -2.078424973    
H         -1.242997177       -0.1427495573         1.204282475    
H         -1.109865582        -1.595770369        0.7626728035    
    18
Energy=    -43.8958586822846    
O          1.733988273       -0.1695328304         1.858363565    
O          1.354459215         1.829794975       -0.5618745596E-01
O          1.539336076       -0.9251536743       -0.9257667661    
O         -1.366094341         1.337263571       -0.1098810488    
O         -1.214916105        -1.077010051        -1.491626086    
O         -1.079006504        -1.043384721         1.547426786    
H         0.8546915927       -0.5148597984         2.094143949    
H          1.878138558       -0.5432985263        0.9707139939    
H          1.588245649         1.084355381       -0.6410913542    
H          1.573650085         1.478170973        0.8365402475    
H          2.079054778        -1.480631521        -1.495999502    
H         0.6050438315        -1.069787244        -1.201088022    
H         -1.905896021         2.121479143        0.3060188279E-01
H        -0.4178787081         1.641955371       -0.9963364699E-01
H         -1.440694630       -0.1965050475        -1.103334135    
H         -1.940698416        -1.304431108        -2.080544321    
H         -1.236604337       -0.1457135729         1.203072968    
H         -1.108811800        -1.596207505        0.7551497122    
    18
Energy=    -43.6585551368686    
O          1.737256626       -0.1648955611         1.862725296    
O          1.354848806         1.828242208       -0.5585233892E-01
O          1.529463264       -0.9252309371       -0.9203682516    
O         -1.366057454         1.337218064       -0.1112181791    
O         -1.216407075        -1.076492078        -1.494069352    
O         -1.083604050        -1.049071900         1.545277569    
H         0.8548126156       -0.5112411839         2.110771715    
H          1.882494286       -0.5400353866        0.9678697782    
H          1.588732015         1.082088505       -0.6406880108    
H          1.577158804         1.479714408        0.8364166200    
H          2.080570532        -1.482273878        -1.498578454    
H         0.6060353182        -1.067424375        -1.206039212    
H         -1.905764363         2.121293627        0.3017801352E-01
H        -0.4181107464         1.641030207       -0.9973166574E-01
H         -1.442337246       -0.1979236491        -1.103239735    
H         -1.944064638        -1.303430775        -2.082554491    
H         -1.230241429       -0.1481772228         1.201699386    
H         -1.108778071        -1.596886259        0.7482620803    
    18
Energy=    -43.4109854278204    
O          1.748387985       -0.1501441388         1.886877716    
O          1.352119654         1.813718944       -0.5722017762E-01
O          1.525534932       -0.9095231984       -0.9595698139    
O         -1.367986539         1.335915502       -0.1135864973    
O         -1.229146864        -1.081127830        -1.500402987    
O         -1.060308073        -1.067772949         1.516302395    
H         0.9006425765       -0.4633997653         2.252628775    
H          1.816852629       -0.5437896638        0.9929364717    
H          1.586981386         1.069398869       -0.6442017331    
H          1.590727925         1.473106380        0.8350796687    
H          2.071692911        -1.489466214        -1.497327216    
H         0.5969445250        -1.065083635        -1.253327871    
H         -1.904068361         2.122379938        0.2752178400E-01
H        -0.4183721598         1.636265974       -0.1007926827    
H         -1.447052317       -0.2008829177        -1.105865430    
H         -1.955811031        -1.297528605        -2.091901567    
H         -1.206568701       -0.1602861712         1.196359401    
H         -1.104563281        -1.595276706        0.7073505320    
    18
Energy=    -43.0335481943178    
O          1.774078598       -0.1265991237         1.917573810    
O          1.349821566         1.800741104       -0.5773648474E-01
O          1.517689386       -0.8893047217        -1.005309650    
O         -1.369543868         1.335060003       -0.1148745308    
O         -1.240698764        -1.085385232        -1.504087879    
O         -1.032114951        -1.083076254         1.488829518    
H         0.9512034621       -0.4250947401         2.364312637    
H          1.724044205       -0.5537137382         1.038524055    
H          1.584276956         1.057841521       -0.6480576912    
H          1.600642494         1.463712584        0.8319079210    
H          2.070073293        -1.501718021        -1.500137928    
H         0.5905724229        -1.062033572        -1.294891256    
H         -1.902384263         2.123551518        0.2504959261E-01
H        -0.4189011790         1.631507314       -0.1018120234    
H         -1.450113601       -0.2034540589        -1.109014975    
H         -1.965833830        -1.292508235        -2.100606013    
H         -1.187390499       -0.1695286731         1.191410692    
H         -1.099414231        -1.593493860        0.6697809721    
    18
Energy=    -42.5866558659818    
O          1.782115001       -0.1213125704         1.920876470    
O          1.350456589         1.802310284       -0.5738819259E-01
O          1.515891630       -0.8931833860       -0.9934231187    
O         -1.369444387         1.335208623       -0.1152499724    
O         -1.239226723        -1.084764110        -1.504582620    
O         -1.039814506        -1.083397963         1.493062820    
H         0.9315139159       -0.4365360360         2.345729008    
H          1.742926566       -0.5510987750         1.029282307    
H          1.584964420         1.059240073       -0.6472965643    
H          1.600381360         1.466154688        0.8325212477    
H          2.072745863        -1.500844047        -1.502808745    
H         0.5894750977        -1.061363425        -1.290168150    
H         -1.902698961         2.123474754        0.2533182691E-01
H        -0.4190354096         1.631993115       -0.1015735078    
H         -1.450060516       -0.2035083264        -1.108166513    
H         -1.965315325        -1.293009041        -2.099808974    
H         -1.187846560       -0.1687895964         1.191531921    
H         -1.101020860        -1.594070447        0.6729915251    
    18
Energy=    -42.4865862314669    
O          1.793165854       -0.1083818950         1.942711135    
O          1.347888714         1.790899323       -0.5811610062E-01
O          1.511230675       -0.8712490597        -1.045239793    
O         -1.370940346         1.334087168       -0.1156163641    
O         -1.249772730        -1.089139853        -1.506453179    
O         -1.007214627        -1.094359464         1.466268391    
H         0.9996159042       -0.3935592516         2.447692509    
H          1.640102048       -0.5634961593         1.082209016    
H          1.581849184         1.048481986       -0.6514758845    
H          1.607694411         1.454979703        0.8290646942    
H          2.070027609        -1.512908902        -1.502372696    
H         0.5860098358        -1.059561431        -1.327411684    
H         -1.901136256         2.124737083        0.2312240568E-01
H        -0.4189499761         1.627763348       -0.1026497453    
H         -1.452274046       -0.2050288010        -1.111664918    
H         -1.973480623        -1.288629530        -2.107503097    
H         -1.173164796       -0.1764282259         1.187624363    
H         -1.094643637        -1.591702225        0.6406717171    
    18
Energy=    -42.0509750625428    
O          1.801391197       -0.9996500148E-01     1.955718109    
O          1.345446087         1.779380819       -0.5873819988E-01
O          1.507773683       -0.8495648538        -1.098185533    
O         -1.372239329         1.333106731       -0.1157859164    
O         -1.260184264        -1.093378552        -1.507995669    
O        -0.9739097426        -1.104302988         1.439463341    
H          1.068723100       -0.3501135097         2.549557200    
H          1.537765228       -0.5738326720         1.140281449    
H          1.578621485         1.038136952       -0.6556487661    
H          1.614377502         1.443732481        0.8254990289    
H          2.066332846        -1.524248057        -1.500644109    
H         0.5833481279        -1.058098954        -1.363617847    
H         -1.899516595         2.125852990        0.2096141718E-01
H        -0.4189784253         1.623612615       -0.1037360037    
H         -1.454312136       -0.2064495109        -1.115276277    
H         -1.981120820        -1.284373501        -2.114854204    
H         -1.159497262       -0.1837573141         1.184080557    
H         -1.088013487        -1.589233860        0.6097821916    
    18
Energy=    -41.7876170660594    
O          1.807649639       -0.9669343705E-01     1.952626473    
O          1.346228239         1.782432157       -0.5843344509E-01
O          1.507720071       -0.8538094475        -1.082907979    
O         -1.371868795         1.333416122       -0.1157905988    
O         -1.257367584        -1.092237701        -1.507651283    
O        -0.9830985431        -1.102035586         1.447023736    
H          1.044480905       -0.3643290580         2.524943524    
H          1.562847012       -0.5737817832         1.121878042    
H          1.579495932         1.040856242       -0.6545886197    
H          1.612544663         1.446844070        0.8263979694    
H          2.068751955        -1.522787284        -1.502078805    
H         0.5835209706        -1.058483418        -1.354036292    
H         -1.899943272         2.125551277        0.2153704505E-01
H        -0.4190597511         1.624694141       -0.1034256006    
H         -1.453785162       -0.2060925597        -1.114268687    
H         -1.979136871        -1.285509823        -2.112921861    
H         -1.163113911       -0.1814353759         1.184918140    
H         -1.089858300        -1.590094723        0.6176390094    
    18
Energy=    -41.7851452401696    
O          1.803942156       -0.9614656542E-01     1.964605095    
O          1.343651081         1.770961087       -0.5915610553E-01
O          1.505535242       -0.8341800456        -1.137072757    
O         -1.373143269         1.332408269       -0.1158680023    
O         -1.267752106        -1.096435889        -1.509053093    
O        -0.9495396812        -1.111287624         1.419856034    
H          1.121149789       -0.3173866098         2.623020132    
H          1.464343100       -0.5805002095         1.183120506    
H          1.576265389         1.030686863       -0.6586585578    
H          1.619170035         1.435560875        0.8228330772    
H          2.063139486        -1.532050286        -1.498969911    
H         0.5817697177        -1.057082210        -1.389802062    
H         -1.898333393         2.126643127        0.1939568770E-01
H        -0.4190048288         1.620607642       -0.1045359486    
H         -1.455768160       -0.2074735796        -1.117931327    
H         -1.986590275        -1.281294202        -2.120143384    
H         -1.149688198       -0.1891858596         1.181574656    
H         -1.083138890        -1.587340970        0.5876467290    
    18
Energy=    -41.7743641177751    
O          1.803386660       -0.9620924674E-01     1.965810289    
O          1.343389838         1.769815669       -0.5923197985E-01
O          1.505337965       -0.8322483000        -1.142502344    
O         -1.373271045         1.332306667       -0.1158746128    
O         -1.268789786        -1.096855628        -1.509191379    
O        -0.9461819806        -1.112203758         1.417136310    
H          1.128922540       -0.3126360930         2.632780994    
H          1.454566412       -0.5811214848         1.189258933    
H          1.575942920         1.029672214       -0.6590640566    
H          1.619833481         1.434432604        0.8224783782    
H          2.062547794        -1.532944759        -1.498639294    
H         0.5816062013        -1.056943932        -1.393375004    
H         -1.898172700         2.126752291        0.1918185559E-01
H        -0.4189973372         1.620200306       -0.1046473283    
H         -1.455965984       -0.2076108827        -1.118297916    
H         -1.987333393        -1.280873243        -2.120863917    
H         -1.148348189       -0.1899676578         1.181242114    
H         -1.082466201        -1.587060952        0.5846597239    
    18
Energy=    -41.7577599738952    
O          1.801163204       -0.9684814134E-01     1.969058903    
O          1.342684132         1.766799440       -0.5944900687E-01
O          1.504904110       -0.8272750247        -1.156887542    
O         -1.373610595         1.332034510       -0.1158877340    
O         -1.271526708        -1.097964309        -1.509549263    
O        -0.9373090801        -1.114587898         1.409944081    
H          1.149873984       -0.2998616927         2.658365452    
H          1.429061126       -0.5825591902         1.205494992    
H          1.575094228         1.027001311       -0.6601283969    
H          1.621591241         1.431453612        0.8215501834    
H          2.060860729        -1.535175920        -1.497690718    
H         0.5812198227        -1.056587374        -1.402797591    
H         -1.897749761         2.127040877        0.1861838749E-01
H        -0.4189685661         1.619130245       -0.1049429007    
H         -1.456486878       -0.2079700475        -1.119266884    
H         -1.989287649        -1.279763922        -2.122760615    
H         -1.144818453       -0.1920602753         1.180369938    
H         -1.080687693        -1.586302385        0.5768194818    
    18
Energy=    -41.7477105510476    
O          1.797676849       -0.9822795448E-01     1.972637641    
O          1.341909751         1.763623019       -0.5970907299E-01
O          1.504581344       -0.8222033478        -1.172175719    
O         -1.373974916         1.331739501       -0.1158954103    
O         -1.274418476        -1.099139681        -1.509917403    
O        -0.9279065083        -1.117061773         1.402319837    
H          1.172667414       -0.2859975415         2.685182667    
H          1.402553725       -0.5837781772         1.222668010    
H          1.574200907         1.024185040       -0.6612448154    
H          1.623464753         1.428300316        0.8205837338    
H          2.058884650        -1.537337461        -1.496582053    
H         0.5808743871        -1.056226528        -1.412757997    
H         -1.897304492         2.127347626        0.1802367548E-01
H        -0.4189227124         1.618006544       -0.1052580908    
H         -1.457036782       -0.2083444945        -1.120293342    
H         -1.991345906        -1.278592893        -2.124760531    
H         -1.141093354       -0.1943178292         1.179452889    
H         -1.078803437        -1.585470551        0.5685867490    
    18
Energy=    -41.7431197067192    
O          1.796064056       -0.9894164876E-01     1.974001950    
O          1.341613141         1.762454863       -0.5981863229E-01
O          1.504513445       -0.8203877537        -1.177847280    
O         -1.374112325         1.331627647       -0.1158965452    
O         -1.275486712        -1.099575922        -1.510050613    
O        -0.9244232674        -1.117963178         1.399499005    
H          1.181261530       -0.2807725391         2.695047531    
H          1.392900693       -0.5841376484         1.229003182    
H          1.573872071         1.023145575       -0.6616544944    
H          1.624164050         1.427132475        0.8202342910    
H          2.058092229        -1.538071468        -1.496142804    
H         0.5807587248        -1.056100693        -1.416442382    
H         -1.897140579         2.127461881        0.1780413276E-01
H        -0.4189000192         1.617593822       -0.1053754276    
H         -1.457240159       -0.2084809041        -1.120673082    
H         -1.992105218        -1.278160442        -2.125498773    
H         -1.139717777       -0.1951652342         1.179114147    
H         -1.078106686        -1.585155019        0.5655565631    
    18
Energy=    -41.7415612319986    
O          1.795392425       -0.9927062481E-01     1.974445727    
O          1.341515702         1.762097110       -0.5986121440E-01
O          1.504522391       -0.8198610550        -1.179615837    
O         -1.374156742         1.331590982       -0.1158961865    
O         -1.275816759        -1.099711895        -1.510090201    
O        -0.9233410005        -1.118235511         1.398623949    
H          1.184013490       -0.2791054818         2.698061201    
H          1.389988189       -0.5841953258         1.230976641    
H          1.573770859         1.022824330       -0.6617796955    
H          1.624384611         1.426768589        0.8201319983    
H          2.057812934        -1.538260835        -1.495990510    
H         0.5807274418        -1.056065015        -1.417584548    
H         -1.897090366         2.127498061        0.1773633439E-01
H        -0.4188895124         1.617467464       -0.1054121321    
H         -1.457303244       -0.2085220839        -1.120790821    
H         -1.992340316        -1.278026786        -2.125727430    
H         -1.139292070       -0.1954344143         1.179009523    
H         -1.077890836        -1.585053692        0.5646239700    
    18
Energy=    -41.7403021182535    
O          1.795151621       -0.9936698577E-01     1.974706958    
O          1.341458465         1.761917898       -0.5989364249E-01
O          1.504546234       -0.8195459811        -1.180520965    
O         -1.374182940         1.331570266       -0.1158958109    
O         -1.275988290        -1.099785913        -1.510110369    
O        -0.9227676827        -1.118384703         1.398180206    
H          1.185381219       -0.2782343014         2.699790602    
H          1.388423648       -0.5843044339         1.231831673    
H          1.573719284         1.022652699       -0.6618450653    
H          1.624504820         1.426575539        0.8200851630    
H          2.057674385        -1.538383111        -1.495922023    
H         0.5806857156        -1.056061907        -1.418194099    
H         -1.897064253         2.127517836        0.1770095200E-01
H        -0.4188808037         1.617402957       -0.1054315528    
H         -1.457337307       -0.2085411141        -1.120851678    
H         -1.992464517        -1.277956794        -2.125848026    
H         -1.139073204       -0.1955665299         1.178949648    
H         -1.077779200        -1.585001607        0.5641287952    
    18
Energy=    -41.7309851728919    
O          1.794188270       -0.9880008522E-01     1.977346335    
O          1.341075571         1.759111342       -0.6008605387E-01
O          1.504255635       -0.8145640083        -1.195135010    
O         -1.374480805         1.331282516       -0.1158501308    
O         -1.278567328        -1.100777023        -1.510343033    
O        -0.9143038416        -1.120165631         1.391566983    
H          1.205036363       -0.2674937707         2.720586461    
H          1.362737030       -0.5862161967         1.250443944    
H          1.572799309         1.020084727       -0.6629186035    
H          1.625666547         1.423252185        0.8191583402    
H          2.056528227        -1.540469419        -1.494689194    
H         0.5802507504        -1.055563293        -1.426465081    
H         -1.896652952         2.127761801        0.1717964484E-01
H        -0.4188429373         1.616338139       -0.1057017090    
H         -1.457792932       -0.2087531994        -1.121875648    
H         -1.994211114        -1.276933716        -2.127605971    
H         -1.136216766       -0.1972403097         1.178144883    
H         -1.075461832        -1.584350244        0.5571046086    
    18
Energy=    -41.7403650472398    
O          1.793224919       -0.9823318466E-01     1.979985713    
O          1.340692677         1.756304787       -0.6027846525E-01
O          1.503965036       -0.8095820355        -1.209749055    
O         -1.374778671         1.330994765       -0.1158044507    
O         -1.281146365        -1.101768134        -1.510575696    
O        -0.9058400005        -1.121946559         1.384953760    
H          1.224691507       -0.2567532400         2.741382320    
H          1.337050412       -0.5881279595         1.269056215    
H          1.571879333         1.017516755       -0.6639921417    
H          1.626828274         1.419928831        0.8182315173    
H          2.055382069        -1.542555727        -1.493456365    
H         0.5798157852        -1.055064679        -1.434736063    
H         -1.896241652         2.128005766        0.1665833768E-01
H        -0.4188050710         1.615273321       -0.1059718653    
H         -1.458248556       -0.2089652846        -1.122899618    
H         -1.995957710        -1.275910638        -2.129363916    
H         -1.133360328       -0.1989140895         1.177340119    
H         -1.073144464        -1.583698881        0.5500804221    
    18
Energy=    -41.7432522665082    
O          1.793768337       -0.9758987694E-01     1.980243762    
O          1.340700827         1.755740268       -0.6027713134E-01
O          1.503813773       -0.8084859410        -1.212767320    
O         -1.374824206         1.330940499       -0.1157893910    
O         -1.281650270        -1.101943566        -1.510609702    
O        -0.9042180156        -1.122222485         1.383702383    
H          1.228185735       -0.2551115733         2.744782513    
H          1.331579152       -0.5886864800         1.273508997    
H          1.571674450         1.017007847       -0.6642231973    
H          1.626939205         1.419189948        0.8180234992    
H          2.055354936        -1.543057120        -1.493189509    
H         0.5797149010        -1.054902729        -1.436216359    
H         -1.896157400         2.128044813        0.1655788799E-01
H        -0.4188105512         1.615047352       -0.1060197293    
H         -1.458330534       -0.2089883635        -1.123119662    
H         -1.996281362        -1.275715047        -2.129701004    
H         -1.132889373       -0.1991688139         1.177185830    
H         -1.072562407        -1.583594919        0.5487689005    
    18
Energy=    -41.7585998743828    
O          1.796122860       -0.9357203748E-01     1.983102690    
O          1.340614290         1.751243191       -0.6050099996E-01
O          1.503247068       -0.7998105470        -1.237619597    
O         -1.375256055         1.330446923       -0.1156517029    
O         -1.285774877        -1.103425025        -1.510857886    
O        -0.8907595973        -1.124428673         1.373510638    
H          1.257888083       -0.2407866882         2.773244668    
H          1.287630191       -0.5929595038         1.308801113    
H          1.570012418         1.012801917       -0.6660910037    
H          1.627962221         1.413049677        0.8164605226    
H          2.054581404        -1.546663131        -1.490841841    
H         0.5787796909        -1.053757591        -1.448497939    
H         -1.895474772         2.128386726        0.1573524893E-01
H        -0.4187670241         1.613226348       -0.1064220564    
H         -1.459015762       -0.2091409522        -1.124926110    
H         -1.998949630        -1.274109236        -2.132479647    
H         -1.129047357       -0.2013083778         1.175877037    
H         -1.067785955        -1.582689205        0.5380176346    
    18
Energy=    -41.7759118305290    
O          1.796282475       -0.9198283987E-01     1.984898696    
O          1.340530130         1.748565451       -0.6067686671E-01
O          1.503070501       -0.7948990045        -1.252562436    
O         -1.375521242         1.330142518       -0.1155631840    
O         -1.288242824        -1.104315889        -1.510995965    
O        -0.8826818608        -1.125692016         1.367397402    
H          1.276170683       -0.2319200050         2.790036151    
H          1.262029844       -0.5950363366         1.330033727    
H          1.569020446         1.010293096       -0.6671993046    
H          1.628593465         1.409365183        0.8155448078    
H          2.053882029        -1.548532187        -1.489361574    
H         0.5782983298        -1.053081653        -1.455843641    
H         -1.895068132         2.128594030        0.1524346319E-01
H        -0.4187230493         1.612143288       -0.1066658462    
H         -1.459425989       -0.2092270414        -1.126009978    
H         -2.000540526        -1.273149120        -2.134138931    
H         -1.126746038       -0.2026435201         1.175095159    
H         -1.064921045        -1.582120140        0.5316290872    
    18
Energy=    -41.8022815493252    
O          1.795740146       -0.9109618623E-01     1.986451294    
O          1.340445928         1.746341106       -0.6084191140E-01
O          1.503001261       -0.7909727901        -1.265029696    
O         -1.375744017         1.329885672       -0.1154861411    
O         -1.290296324        -1.105058137        -1.511105171    
O        -0.8759535435        -1.126709558         1.362304267    
H          1.291634947       -0.2244025356         2.803843798    
H          1.241131321       -0.5964935033         1.347774194    
H          1.568195882         1.008211866       -0.6681174641    
H          1.629125026         1.406294682        0.8147903300    
H          2.053176608        -1.549925948        -1.488095832    
H         0.5779470363        -1.052518762        -1.461947725    
H         -1.894730411         2.128767228        0.1483449810E-01
H        -0.4186785731         1.611244841       -0.1068701127    
H         -1.459766970       -0.2092964596        -1.126913717    
H         -2.001859681        -1.272350915        -2.135516684    
H         -1.124830304       -0.2037848032         1.174445362    
H         -1.062531136        -1.581631982        0.5263414797    
    18
Energy=    -41.8186822411088    
O          1.790956703       -0.8794690032E-01     1.994521882    
O          1.339988031         1.735195988       -0.6172005974E-01
O          1.502875741       -0.7718046138        -1.327606288    
O         -1.376863778         1.328590242       -0.1150894998    
O         -1.300588295        -1.108778045        -1.511634511    
O        -0.8422292848        -1.131699453         1.336765112    
H          1.369876822       -0.1863394161         2.872434152    
H          1.137663993       -0.6029745510         1.436888177    
H          1.564064595        0.9978044465       -0.6727107176    
H          1.631797919         1.390889866        0.8110263981    
H          2.049273658        -1.556404379        -1.481661819    
H         0.5763458378        -1.049684205        -1.492505692    
H         -1.893038720         2.129635978        0.1278542856E-01
H        -0.4184352522         1.606748147       -0.1078974788    
H         -1.461474100       -0.2096383962        -1.131449927    
H         -2.008453612        -1.268353138        -2.142410786    
H         -1.115228360       -0.2095985121         1.171188967    
H         -1.050524701        -1.579139245        0.4999374303    
    18
Energy=    -42.4709849042555    
O          1.772624284       -0.9410021669E-01     2.003946402    
O          1.339598003         1.727438245       -0.6265972330E-01
O          1.504636292       -0.7632494063        -1.371288600    
O         -1.377615323         1.327690353       -0.1147622067    
O         -1.307692695        -1.111249507        -1.511941329    
O        -0.8196229196        -1.134238227         1.319200170    
H          1.429130458       -0.1580764132         2.911419069    
H          1.076293335       -0.6016814269         1.501010654    
H          1.561215728        0.9909022932       -0.6757574464    
H          1.633561663         1.380137769        0.8086025927    
H          2.043809654        -1.556616861        -1.476203459    
H         0.5762036782        -1.047309604        -1.513302833    
H         -1.891873833         2.130196517        0.1138214931E-01
H        -0.4181907573         1.603665262       -0.1086070078    
H         -1.462630399       -0.2098726349        -1.134625061    
H         -2.012837501        -1.265628528        -2.147034775    
H         -1.108613608       -0.2143795918         1.168931814    
H         -1.041988863        -1.577124207        0.4825503570    
    18
Energy=    -42.7224346447398    
O          1.747305672       -0.9998218570E-01     2.023022030    
O          1.339530765         1.714726675       -0.6349313233E-01
O          1.503789006       -0.7477081928        -1.437525124    
O         -1.378470329         1.326450762       -0.1142604074    
O         -1.318381113        -1.114821474        -1.512181577    
O        -0.7868237672        -1.138078747         1.293531903    
H          1.515306279       -0.1170627783         2.972474388    
H         0.9849872943       -0.6019990784         1.592374971    
H          1.556862024        0.9803837991       -0.6812261420    
H          1.635095257         1.363255109        0.8042614869    
H          2.037983040        -1.559017951        -1.469051927    
H         0.5772465492        -1.042898000        -1.544785482    
H         -1.889986631         2.131019216        0.9213376483E-02
H        -0.4180851215         1.598738154       -0.1096129053    
H         -1.464456726       -0.2101184897        -1.139606528    
H         -2.019348201        -1.261522094        -2.154080250    
H         -1.099076185       -0.2212678826         1.164761743    
H         -1.027470617        -1.573593028        0.4570443451    
    18
Energy=    -43.1679457889023    
O          1.725895026       -0.1072493553         2.038765690    
O          1.339499623         1.710988614       -0.6546982929E-01
O          1.513484419       -0.7528577762        -1.451864245    
O         -1.378770337         1.326238256       -0.1140552545    
O         -1.321134385        -1.115410111        -1.512177400    
O        -0.7830175052        -1.136927320         1.290978585    
H          1.533268466       -0.1079268638         2.981152244    
H         0.9834714604       -0.5981287665         1.604204700    
H          1.555863800        0.9785171418       -0.6833269804    
H          1.634197423         1.357578029        0.8044304915    
H          2.030721846        -1.548382992        -1.467380402    
H         0.5741454010        -1.042359093        -1.552589837    
H         -1.889311307         2.131079575        0.8686078664E-02
H        -0.4178458005         1.597481905       -0.1097075856    
H         -1.464993544       -0.2099166498        -1.141024639    
H         -2.019933880        -1.260619723        -2.155129580    
H         -1.097841247       -0.2233854283         1.162499706    
H         -1.021692263        -1.572215628        0.4528690260    
    18
Energy=    -43.3683371329037    
O          1.715636565       -0.1097684385         2.045898508    
O          1.339724582         1.707180572       -0.6490435985E-01
O          1.506102565       -0.7461410543        -1.470430203    
O         -1.378873277         1.325701271       -0.1139903226    
O         -1.323428623        -1.116204842        -1.511883494    
O        -0.7754958346        -1.138080957         1.284153924    
H          1.555751282       -0.9812131073E-01     2.992675807    
H         0.9637927590       -0.5962732486         1.631432917    
H          1.554854329        0.9754316783       -0.6854932105    
H          1.633871560         1.352676944        0.8028563525    
H          2.032292123        -1.552640920        -1.465368922    
H         0.5783578000        -1.039433966        -1.560628674    
H         -1.888846541         2.131463820        0.8119151878E-02
H        -0.4178133698         1.596087098       -0.1099115580    
H         -1.465576486       -0.2098124988        -1.142390658    
H         -2.021893910        -1.259632883        -2.157312083    
H         -1.095614484       -0.2249088442         1.161110030    
H         -1.016833843        -1.571018606        0.4469275624    
    18
Energy=    -43.4318343638866    
O          1.711371763       -0.1099914887         2.049146535    
O          1.339734156         1.704370561       -0.6514016103E-01
O          1.506857044       -0.7440987179        -1.484761190    
O         -1.379187215         1.325331408       -0.1139436259    
O         -1.325641326        -1.116956974        -1.512016999    
O        -0.7695483719        -1.138752296         1.279244413    
H          1.571959139       -0.9098590688E-01     3.003067531    
H         0.9462125098       -0.5957397084         1.654028801    
H          1.554032781        0.9730798487       -0.6870102223    
H          1.633877641         1.348574901        0.8022477287    
H          2.030686247        -1.551715662        -1.463580500    
H         0.5780205146        -1.038223021        -1.567441961    
H         -1.888420557         2.131688044        0.7664558402E-02
H        -0.4176563112         1.595041481       -0.1100656204    
H         -1.466038416       -0.2097300847        -1.143435940    
H         -2.023156876        -1.258787305        -2.158753284    
H         -1.093798866       -0.2261170119         1.160093829    
H         -1.013296663        -1.570484252        0.4415168746    
    18
Energy=    -43.6584525867404    
O          1.703877910       -0.1068386020         2.060457864    
O          1.340068874         1.696221323       -0.6574101468E-01
O          1.508372334       -0.7404313384        -1.522405200    
O         -1.380002550         1.324329356       -0.1140002218    
O         -1.330944395        -1.118499468        -1.512395155    
O        -0.7580229095        -1.140119106         1.268313342    
H          1.607846567       -0.7717724697E-01     3.018895532    
H         0.9062610346       -0.5935921709         1.719116516    
H          1.552203334        0.9669988366       -0.6917709361    
H          1.632561436         1.336468578        0.8010118215    
H          2.027088258        -1.547409890        -1.458262193    
H         0.5770219061        -1.033854102        -1.585183769    
H         -1.887196951         2.132296739        0.6495053623E-02
H        -0.4172250033         1.592187653       -0.1102689349    
H         -1.467447553       -0.2093219687        -1.146153842    
H         -2.026090860        -1.256764476        -2.162380579    
H         -1.089873743       -0.2285889919         1.156850664    
H         -1.002490493        -1.569401311        0.4282818212    
    18
Energy=    -43.7615842508462    
O          1.693694105       -0.1014780891         2.064001341    
O          1.341369303         1.684773601       -0.6730726712E-01
O          1.510676270       -0.7380218974        -1.561460667    
O         -1.379948672         1.323988530       -0.1144247737    
O         -1.335254872        -1.118313498        -1.512827232    
O        -0.7565010437        -1.140264744         1.263658855    
H          1.630619560       -0.7163072264E-01     3.030009157    
H         0.8899692397       -0.5863125287         1.792771040    
H          1.550956713        0.9617997120       -0.6975849498    
H          1.627580860         1.320074994        0.7999007465    
H          2.025003225        -1.539325762        -1.450807673    
H         0.5736759763        -1.027515413        -1.604026263    
H         -1.885525241         2.132613959        0.5270396959E-02
H        -0.4176011898         1.588495530       -0.1100232650    
H         -1.469450687       -0.2089134528        -1.149077528    
H         -2.028020819        -1.255208421        -2.165680551    
H         -1.088211527       -0.2300952837         1.150884399    
H        -0.9870240039        -1.568162699        0.4175850013    
    18
Energy=    -43.9636474925521    
O          1.685236025       -0.9978099258E-01     2.083075603    
O          1.341502129         1.679904995       -0.6741427560E-01
O          1.509212414       -0.7356306652        -1.585040155    
O         -1.380521814         1.323328898       -0.1145836935    
O         -1.337710133        -1.118944940        -1.513333852    
O        -0.7531149552        -1.141559444         1.259659933    
H          1.655654212       -0.6132777258E-01     3.038268083    
H         0.8692652648       -0.5874999068         1.820393785    
H          1.550400137        0.9574523302       -0.7012081998    
H          1.625355902         1.310872404        0.7980608195    
H          2.022611736        -1.535708708        -1.446812957    
H         0.5754680275        -1.024123451        -1.615368713    
H         -1.884735285         2.133112868        0.4548838047E-02
H        -0.4170376394         1.586547995       -0.1100855322    
H         -1.470743342       -0.2082522005        -1.150569231    
H         -2.029433886        -1.254171495        -2.167778627    
H         -1.086860753       -0.2315657014         1.147070834    
H        -0.9785408429        -1.566150399        0.4119781093    
    18
Energy=    -44.0951597059644    
O          1.656906836       -0.8197860094E-01     2.125447662    
O          1.342458938         1.655865965       -0.6848806238E-01
O          1.506017428       -0.7344306701        -1.667328683    
O         -1.382032835         1.319918071       -0.1167919313    
O         -1.338730689        -1.116069857        -1.517316680    
O        -0.7721993185        -1.145934428         1.265871325    
H          1.723423893       -0.4040997638E-01     3.075102290    
H         0.8435501798       -0.5891149300         1.918689182    
H          1.552623939        0.9410804598       -0.7209044228    
H          1.606891273         1.264055124        0.7918949478    
H          2.013086303        -1.506203761        -1.427304569    
H         0.5781805895        -1.007052540        -1.661279322    
H         -1.881067945         2.135601507        0.2197347970E-02
H        -0.4146721278         1.578692418       -0.1097228020    
H         -1.478965485       -0.2041263380        -1.154960084    
H         -2.030993234        -1.252729318        -2.173806733    
H         -1.090986679       -0.2296098155         1.126270756    
H        -0.9374838705        -1.561049496        0.4032905468    
    18
Energy=    -44.2433646522535    
O          1.642659319       -0.7235826480E-01     2.147039563    
O          1.343599572         1.639781693       -0.7276945667E-01
O          1.508641286       -0.7279212803        -1.715899287    
O         -1.382156560         1.319655858       -0.1176149836    
O         -1.341589312        -1.113971333        -1.519549252    
O        -0.7783741242        -1.145166677         1.267196693    
H          1.763086344       -0.2777276763E-01     3.096191604    
H         0.8214862956       -0.5893300324         1.981615573    
H          1.552271585        0.9350166266       -0.7283717258    
H          1.598263045         1.238999054        0.7894700263    
H          2.009452672        -1.494513620        -1.415905008    
H         0.5738437089       -0.9998799871        -1.687117560    
H         -1.878543699         2.135799428        0.6620195440E-03
H        -0.4146942192         1.573835749       -0.1096426957    
H         -1.482848912       -0.2033231098        -1.158074803    
H         -2.031752156        -1.251512165        -2.176891282    
H         -1.091185188       -0.2316380611         1.116158211    
H        -0.9161524618        -1.559197296        0.3943631319    
    18
Energy=    -44.3848988307321    
O          1.653813079       -0.6659993131E-01     2.136841361    
O          1.343551586         1.639373343       -0.7350511804E-01
O          1.510509674       -0.7276793334        -1.697272951    
O         -1.381053385         1.320933095       -0.1178421431    
O         -1.336703587        -1.110731862        -1.520941146    
O        -0.7917383249        -1.142885266         1.275652171    
H          1.742380472       -0.3873228238E-01     3.088086504    
H         0.8442293959       -0.5927357518         1.951086169    
H          1.554183314        0.9390284278       -0.7270584900    
H          1.596199552         1.240868848        0.7897429359    
H          2.011326075        -1.494003256        -1.416426224    
H         0.5701092491        -1.001988690        -1.681389535    
H         -1.878427839         2.134799225        0.1221446912E-02
H        -0.4156572731         1.574686105       -0.1098530643    
H         -1.483234214       -0.2036677644        -1.156480175    
H         -2.028430000        -1.253410964        -2.173966873    
H         -1.095464234       -0.2292590192         1.117551521    
H        -0.9195863434        -1.561491111        0.4054143803    
    18
Energy=    -44.4878144271335    
O          1.655176289       -0.5110327528E-01     2.142552108    
O          1.342453929         1.628311183       -0.7414156478E-01
O          1.508033119       -0.7229357188        -1.712502994    
O         -1.381059573         1.319969195       -0.1190867134    
O         -1.328816095        -1.104974303        -1.525414891    
O        -0.8159866995        -1.140861360         1.289010595    
H          1.750272350       -0.4221101242E-01     3.098646469    
H         0.8582149428       -0.5981575370         1.955229681    
H          1.558589571        0.9346768899       -0.7368030764    
H          1.585182561         1.219888788        0.7873317639    
H          2.009583478        -1.481638462        -1.406156486    
H         0.5687031632       -0.9965851221        -1.698032408    
H         -1.876803550         2.135281621        0.1033465230E-02
H        -0.4146117666         1.572297556       -0.1107286389    
H         -1.487862189       -0.2013572837        -1.155975699    
H         -2.024507360        -1.255947389        -2.172972938    
H         -1.104386192       -0.2243048234         1.111303342    
H        -0.9061687818        -1.563845131        0.4175687529    
    18
Energy=    -44.5248941801522    
O          1.661053995       -0.4646312883E-01     2.142370833    
O          1.340040660         1.623667449       -0.7459970428E-01
O          1.506249800       -0.7178575379        -1.708005132    
O         -1.381336462         1.319983863       -0.1189773994    
O         -1.321588770        -1.100916041        -1.529810577    
O        -0.8241038836        -1.134981520         1.301169420    
H          1.741848456       -0.4891794586E-01     3.099129036    
H         0.8727919725       -0.5994401542         1.936357884    
H          1.561450040        0.9337698843       -0.7412090328    
H          1.581116960         1.211781138        0.7856443347    
H          2.007583592        -1.476951402        -1.401254234    
H         0.5697899814       -0.9953292038        -1.705262648    
H         -1.876312271         2.135285729        0.1574588294E-02
H        -0.4136031309         1.571489207       -0.1129206738    
H         -1.488966550       -0.1998060909        -1.154389849    
H         -2.019579966        -1.259249171        -2.170090882    
H         -1.113391073       -0.2198041820         1.113019039    
H        -0.9070361540        -1.569757078        0.4281157650    
    18
Energy=    -44.6789702426546    
O          1.665464859       -0.5135992954E-01     2.154815766    
O          1.332874388         1.606078028       -0.7943903609E-01
O          1.509855489       -0.7027532809        -1.720744802    
O         -1.382356552         1.319766387       -0.1166871932    
O         -1.306119403        -1.091868356        -1.536499253    
O        -0.8071077734        -1.119700977         1.306572481    
H          1.741852359       -0.5393730788E-01     3.108558277    
H         0.8670037393       -0.5882015137         1.940370886    
H          1.562291040        0.9288058748       -0.7506487783    
H          1.577821018         1.188606132        0.7791051419    
H          1.996763902        -1.463956715        -1.389763724    
H         0.5710949840       -0.9871799845        -1.739926186    
H         -1.874528158         2.136909149        0.2707893683E-02
H        -0.4133851669         1.565223888       -0.1214959070    
H         -1.486434880       -0.1988291658        -1.154741899    
H         -2.012358563        -1.267557685        -2.168013717    
H         -1.133334347       -0.2174505865         1.121986736    
H        -0.9133897389        -1.576090142        0.4547040822    
    18
Energy=    -44.7022289060098    
O          1.664404707       -0.5351665349E-01     2.169840305    
O          1.328342641         1.588242315       -0.8120826266E-01
O          1.512722559       -0.6945411113        -1.747204655    
O         -1.385748693         1.319306553       -0.1153078675    
O         -1.298027875        -1.088916979        -1.546084896    
O        -0.7954209909        -1.108142245         1.313066628    
H          1.754249457       -0.5468199579E-01     3.123253875    
H         0.8539433259       -0.5770397434         1.967967381    
H          1.562058597        0.9203883873       -0.7624667500    
H          1.572515005         1.162781395        0.7715647104    
H          1.988431491        -1.447342828        -1.378807101    
H         0.5713521914       -0.9734296775        -1.776604499    
H         -1.871156481         2.138706246        0.3106978102E-02
H        -0.4140825288         1.557857854       -0.1277010529    
H         -1.484622858       -0.1960490870        -1.156479344    
H         -2.003647957        -1.272051198        -2.163984281    
H         -1.147868629       -0.2181048157         1.124344870    
H        -0.9114367659        -1.576962603        0.4735647305    
    18
Energy=    -44.7866042148583    
O          1.663027631       -0.5063986113E-01     2.177942073    
O          1.328565790         1.579408515       -0.8255180163E-01
O          1.514706484       -0.6972091610        -1.767776847    
O         -1.388532243         1.317411709       -0.1165328064    
O         -1.292559774        -1.086904150        -1.545428188    
O        -0.8012730101        -1.106252486         1.323622632    
H          1.764250428       -0.5469335417E-01     3.131875448    
H         0.8494571558       -0.5729647476         1.989933051    
H          1.560754551        0.9148473002       -0.7688802262    
H          1.568134887         1.147647057        0.7688495537    
H          1.984934062        -1.434408859        -1.373950830    
H         0.5717652868       -0.9624453898        -1.793488246    
H         -1.869058764         2.141584160        0.3107147704E-02
H        -0.4164165277         1.552685762       -0.1277463846    
H         -1.483001340       -0.1965350858        -1.160112564    
H         -2.004387346        -1.273170491        -2.165650939    
H         -1.151485906       -0.2164190164         1.120452420    
H        -0.9028741701        -1.575438086        0.4771972745    
    18
Energy=    -44.8022761580083    
O          1.662009900       -0.4962305071E-01     2.186410960    
O          1.328120240         1.570805654       -0.8404479541E-01
O          1.517069696       -0.6956120793        -1.786812726    
O         -1.391504850         1.316578390       -0.1173503438    
O         -1.288999685        -1.086318965        -1.547576577    
O        -0.8053837692        -1.103455087         1.330446441    
H          1.772524053       -0.5470215026E-01     3.139377233    
H         0.8446873336       -0.5685824909         2.006389424    
H          1.559453365        0.9099639949       -0.7744425928    
H          1.564897619         1.134235472        0.7659790853    
H          1.981324300        -1.424820027        -1.368228063    
H         0.5720779651       -0.9536558633        -1.809310059    
H         -1.867027356         2.143610726        0.3150003877E-02
H        -0.4183910904         1.547639379       -0.1282282617    
H         -1.481101278       -0.1959371189        -1.162797087    
H         -2.002364281        -1.274268179        -2.164987126    
H         -1.155191028       -0.2149513514         1.119189072    
H        -0.8961939377        -1.574403438        0.4836961821    
    18
Energy=    -44.8751213478410    
O          1.674438915       -0.6654759110E-01     2.188569009    
O          1.322285021         1.556600989       -0.8753573918E-01
O          1.529879311       -0.6877948218        -1.811455493    
O         -1.405244112         1.316222001       -0.1208911993    
O         -1.275162086        -1.090224111        -1.550396064    
O        -0.8129011146        -1.090899795         1.352080248    
H          1.758566281       -0.6709761015E-01     3.143632843    
H         0.8384010607       -0.5492121401         1.992303174    
H          1.550194851        0.8990448471       -0.7811828991    
H          1.573300484         1.122574105        0.7599293346    
H          1.969109327        -1.411265611        -1.359922409    
H         0.5807899087       -0.9320941764        -1.831523229    
H         -1.863759842         2.151808728        0.5064611698E-02
H        -0.4286670072         1.529754984       -0.1261095949    
H         -1.461780810       -0.1962080523        -1.171606913    
H         -1.995265850        -1.280027406        -2.158843348    
H         -1.161108669       -0.2041495486         1.135391852    
H        -0.8970684756        -1.573980975        0.5133565836    
    18
Energy=    -44.8845054314640    
O          1.677019128       -0.7095049577E-01     2.182008122    
O          1.319670961         1.558645365       -0.8654557372E-01
O          1.530540502       -0.6871891745        -1.804682165    
O         -1.405032481         1.316399321       -0.1212014795    
O         -1.274863807        -1.091011935        -1.549051436    
O        -0.8124682006        -1.090617235         1.352965577    
H          1.749383923       -0.6966709623E-01     3.138118091    
H         0.8407754618       -0.5498062437         1.977222473    
H          1.549520866        0.9003805899       -0.7782653674    
H          1.578912273         1.131306108        0.7606939920    
H          1.970807967        -1.415916867        -1.361256109    
H         0.5819461756       -0.9340607160        -1.824639536    
H         -1.865390650         2.152298591        0.5268411383E-02
H        -0.4292509035         1.529888389       -0.1244544829    
H         -1.459027531       -0.1973385106        -1.171271781    
H         -1.994701479        -1.280693491        -2.157641240    
H         -1.160059072       -0.2019793901         1.139041722    
H        -0.9017759364        -1.573183392        0.5145515507    
    18
Energy=    -44.9070808040184    
O          1.676869771       -0.7764202898E-01     2.174465179    
O          1.310673237         1.555079550       -0.8513869580E-01
O          1.532358224       -0.6899661621        -1.809749235    
O         -1.406522705         1.315928477       -0.1212540791    
O         -1.270318927        -1.093132456        -1.546126091    
O        -0.8185507859        -1.085256780         1.360046972    
H          1.743014610       -0.7172641238E-01     3.131729022    
H         0.8392966719       -0.5553788783         1.969093698    
H          1.548667071        0.8984251871       -0.7766965493    
H          1.589787899         1.138485245        0.7615981441    
H          1.977328047        -1.414574287        -1.361671662    
H         0.5827339203       -0.9315908426        -1.825569676    
H         -1.867250322         2.151510051        0.3872101111E-02
H        -0.4301269158         1.529908982       -0.1190398901    
H         -1.455964369       -0.1979126135        -1.169850234    
H         -1.990708651        -1.283223108        -2.154295481    
H         -1.162160551       -0.1977792463         1.141281970    
H        -0.9031190291        -1.564650864        0.5181652750    
    18
Energy=    -44.9321586385345    
O          1.673974952       -0.9137480239E-01     2.173160222    
O          1.304945270         1.541727772       -0.8560106611E-01
O          1.541540298       -0.6861598599        -1.837604952    
O         -1.410672290         1.314806665       -0.1179361922    
O         -1.256300483        -1.090517671        -1.541581286    
O        -0.8326944337        -1.068984902         1.371379333    
H          1.746495593       -0.7245905430E-01     3.128825919    
H         0.8307016680       -0.5628207880         1.978884412    
H          1.544874227        0.8897781858       -0.7807436891    
H          1.594983799         1.127676538        0.7583826646    
H          1.978483035        -1.397204473        -1.363576179    
H         0.5912860494       -0.9290519588        -1.847650061    
H         -1.871647264         2.150136509       -0.6716534579E-03
H        -0.4331511840         1.526117236       -0.1120953874    
H         -1.452923900       -0.1977268884        -1.164988696    
H         -1.976723607        -1.293159647        -2.146117098    
H         -1.178396602       -0.1819807612         1.147799582    
H        -0.8987679315        -1.552298286        0.5309948960    
    18
Energy=    -44.9519029860364    
O          1.676582531       -0.1050872483         2.163761507    
O          1.312090397         1.545641344       -0.8571451997E-01
O          1.544689603       -0.6843109503        -1.841030304    
O         -1.413313465         1.315105469       -0.1128022831    
O         -1.249481820        -1.089678322        -1.535418982    
O        -0.8403139029        -1.061598109         1.374926372    
H          1.743394817       -0.7292688398E-01     3.120348845    
H         0.8273182105       -0.5677600973         1.974070242    
H          1.541354723        0.8888692898       -0.7800758835    
H          1.592389477         1.125711857        0.7587411972    
H          1.987385255        -1.395010089        -1.369548676    
H         0.5972839783       -0.9347749091        -1.849569663    
H         -1.878212606         2.150161450       -0.4810323254E-02
H        -0.4348575987         1.527467562       -0.1080457842    
H         -1.451757420       -0.1994367267        -1.158741600    
H         -1.967496097        -1.299490057        -2.139418993    
H         -1.186258506       -0.1749003435         1.152333318    
H        -0.9047903811        -1.541479421        0.5318562983    
    18
Energy=    -44.9613859678417    
O          1.679495999       -0.1182409312         2.153282320    
O          1.315641168         1.550207218       -0.8507591802E-01
O          1.547713197       -0.6840664826        -1.838982794    
O         -1.415017811         1.315344073       -0.1084813813    
O         -1.243162092        -1.090546481        -1.529040473    
O        -0.8484833326        -1.055791852         1.378477975    
H          1.737155910       -0.7417963553E-01     3.110235298    
H         0.8266227510       -0.5733437745         1.961626506    
H          1.538937491        0.8891473624       -0.7785376062    
H          1.592604178         1.127618825        0.7595659555    
H          1.997981130        -1.394928178        -1.376105444    
H         0.6011105842       -0.9398224355        -1.847659828    
H         -1.883100671         2.149950001       -0.8537587582E-02
H        -0.4376356971         1.530319843       -0.1036826627    
H         -1.450096459       -0.2008988964        -1.153303990    
H         -1.959754334        -1.304732873        -2.133061247    
H         -1.192414272       -0.1679115947         1.157391406    
H        -0.9115905439        -1.531620374        0.5327502384    
    18
Energy=    -44.9720100596607    
O          1.680768965       -0.1282754590         2.149283309    
O          1.315265967         1.547983259       -0.8487771744E-01
O          1.550814693       -0.6835699389        -1.844034809    
O         -1.416899437         1.316003127       -0.1054220758    
O         -1.237249765        -1.092652468        -1.524219601    
O        -0.8561314159        -1.051217626         1.382344866    
H          1.736992512       -0.7453605321E-01     3.105168045    
H         0.8229224845       -0.5756624128         1.958520570    
H          1.537618505        0.8898526509       -0.7793027234    
H          1.591723076         1.123808002        0.7580505224    
H          2.005591902        -1.391395409        -1.379280804    
H         0.6044379788       -0.9396823047        -1.851025461    
H         -1.884518262         2.150884351       -0.1165102594E-01
H        -0.4411005308         1.532372869       -0.1010798431    
H         -1.447252130       -0.2015898980        -1.150736116    
H         -1.954188622        -1.308962812        -2.128108724    
H         -1.198163435       -0.1619802195         1.162197814    
H        -0.9146252888        -1.524875844        0.5350345404    
    18
Energy=    -44.9841156134329    
O          1.681484315       -0.1358668887         2.146410841    
O          1.309278808         1.545173568       -0.8415410544E-01
O          1.554568574       -0.6824257671        -1.846726953    
O         -1.418154534         1.317638182       -0.1035838233    
O         -1.234173072        -1.095651764        -1.520086604    
O        -0.8619570193        -1.049111608         1.385010330    
H          1.737491757       -0.7527540107E-01     3.101297907    
H         0.8198539755       -0.5757490809         1.957116629    
H          1.538652764        0.8916917788       -0.7822303924    
H          1.591555793         1.118592164        0.7567630695    
H          2.011110083        -1.388523478        -1.382745061    
H         0.6071955991       -0.9382180085        -1.851673803    
H         -1.884203358         2.153558140       -0.1410477186E-01
H        -0.4433992513         1.535195414       -0.1002776149    
H         -1.442610132       -0.2028925594        -1.150401954    
H         -1.951051473        -1.311891970        -2.124092842    
H         -1.202127793       -0.1582341717         1.167549858    
H        -0.9175078397        -1.521504737        0.5367900588    
    18
Energy=    -45.0191815132015    
O          1.683699009       -0.1697525317         2.130779257    
O          1.295979815         1.533016787       -0.8195870155E-01
O          1.570639460       -0.6734857748        -1.864428956    
O         -1.424353167         1.328591828       -0.9384428021E-01
O         -1.216972769        -1.105029292        -1.500312529    
O        -0.8915657386        -1.037245354         1.399574135    
H          1.746062829       -0.7697167286E-01     3.083274779    
H         0.8049257672       -0.5831388596         1.959724036    
H          1.540555537        0.9011206286       -0.7956144496    
H          1.579848341         1.087681452        0.7494487497    
H          2.038039722        -1.372505467        -1.401155657    
H         0.6258070525       -0.9383289293        -1.855925112    
H         -1.890871071         2.166407485       -0.2791819385E-01
H        -0.4495219663         1.545329606       -0.9596847978E-01
H         -1.425641460       -0.2082687446        -1.141977384    
H         -1.932448493        -1.328945999        -2.103334944    
H         -1.226158493       -0.1432922847         1.186645042    
H        -0.9320171780        -1.498679062        0.5438534565    
    18
Energy=    -45.0528111958686    
O          1.679931839       -0.1923622032         2.114355880    
O          1.291496290         1.523743924       -0.8140938074E-01
O          1.585027236       -0.6635554765        -1.878777437    
O         -1.432703060         1.341549147       -0.9420352638E-01
O         -1.200018874        -1.109561027        -1.482853181    
O        -0.9139773016        -1.026575382         1.412844503    
H          1.755636187       -0.8165185726E-01     3.064226834    
H         0.7948410407       -0.5987983920         1.963712337    
H          1.539579170        0.9111576479       -0.8072492333    
H          1.564278956         1.057485464        0.7405159592    
H          2.065519372        -1.358320447        -1.420289890    
H         0.6453283288       -0.9384930567        -1.850809747    
H         -1.896560356         2.181908693       -0.4178523442E-01
H        -0.4545532338         1.551489827       -0.9150855226E-01
H         -1.411953081       -0.2113685686        -1.131117322    
H         -1.916408053        -1.343788445        -2.080940257    
H         -1.250927247       -0.1336098638         1.202724302    
H        -0.9485300170        -1.482746170        0.5534247130    
    18
Energy=    -45.0611800048701    
O          1.678039448       -0.1986496616         2.108437213    
O          1.290878083         1.520724027       -0.8189587115E-01
O          1.590409609       -0.6605111094        -1.885208275    
O         -1.436739824         1.344930540       -0.9751309824E-01
O         -1.192501783        -1.109331784        -1.478156861    
O        -0.9193287172        -1.021152769         1.419215503    
H          1.757042201       -0.8512985758E-01     3.058097353    
H         0.7912888603       -0.6054641626         1.963306446    
H          1.537363733        0.9119001160       -0.8107099444    
H          1.561617338         1.049061341        0.7373894720    
H          2.074161715        -1.352675765        -1.425756527    
H         0.6513146007       -0.9362032766        -1.850132459    
H         -1.897554939         2.187164871       -0.4608004249E-01
H        -0.4577501911         1.550509971       -0.8912506707E-01
H         -1.407537915       -0.2113512277        -1.127469609    
H         -1.910507236        -1.348527453        -2.072470251    
H         -1.259955258       -0.1299899534         1.208299799    
H        -0.9542325294        -1.478800032        0.5606329860    
    18
Energy=    -45.0696002706600    
O          1.673624713       -0.2022854026         2.101529211    
O          1.289016475         1.519656156       -0.8203458524E-01
O          1.595492798       -0.6579353127        -1.887369838    
O         -1.440224235         1.349886445       -0.1033832549    
O         -1.186952612        -1.109214182        -1.471667702    
O        -0.9266189888        -1.019327754         1.424490312    
H          1.760275866       -0.8934256811E-01     3.050242214    
H         0.7900499963       -0.6148444629         1.961012989    
H          1.536502986        0.9156979705       -0.8149728095    
H          1.556889970         1.040850698        0.7344121759    
H          2.086763421        -1.348893139        -1.433800969    
H         0.6571754484       -0.9345241068        -1.841233819    
H         -1.896791654         2.194021166       -0.5148173823E-01
H        -0.4613181311         1.551380283       -0.8775617977E-01
H         -1.403090178       -0.2108476131        -1.123662270    
H         -1.906247506        -1.351992684        -2.062647425    
H         -1.267422920       -0.1284701889         1.213465511    
H        -0.9611182534        -1.477311492        0.5657189460    
    18
Energy=    -45.0756545484761    
O          1.672227272       -0.2071608794         2.097697015    
O          1.285841983         1.517819068       -0.8268137801E-01
O          1.599928633       -0.6560414545        -1.890763747    
O         -1.443517206         1.351089544       -0.1072214784    
O         -1.181947531        -1.108876005        -1.468035705    
O        -0.9284997049        -1.016616769         1.428842656    
H          1.760477087       -0.9337198427E-01     3.046060745    
H         0.7860679971       -0.6177747005         1.959646702    
H          1.534869008        0.9158525484       -0.8174576955    
H          1.557306432         1.037585530        0.7322892820    
H          2.092723762        -1.345338116        -1.438185941    
H         0.6606028054       -0.9313581866        -1.839010120    
H         -1.895675895         2.198168123       -0.5455582959E-01
H        -0.4638125713         1.549848169       -0.8766640068E-01
H         -1.399429160       -0.2091103804        -1.122156381    
H         -1.902951018        -1.354460127        -2.056251679    
H         -1.272212959       -0.1266412634         1.218225635    
H        -0.9659917366        -1.477109302        0.5720850887    
    18
Energy=    -45.0786634830830    
O          1.672027296       -0.2101986806         2.095901842    
O          1.284289543         1.518241389       -0.8285031102E-01
O          1.601090857       -0.6559756032        -1.891108162    
O         -1.443915833         1.351031230       -0.1071890637    
O         -1.180871414        -1.108961657        -1.465672191    
O        -0.9314707932        -1.016500383         1.430061666    
H          1.760405471       -0.9441502222E-01     3.044036336    
H         0.7849489819       -0.6185492100         1.957845124    
H          1.534689470        0.9162251347       -0.8177067555    
H          1.557787513         1.038254307        0.7323114670    
H          2.095972059        -1.344850307        -1.440292404    
H         0.6614820543       -0.9314641254        -1.837180282    
H         -1.895484618         2.198655297       -0.5601148531E-01
H        -0.4647210422         1.550289531       -0.8780899465E-01
H         -1.398597512       -0.2084035907        -1.121561690    
H         -1.901561349        -1.355193147        -2.054046436    
H         -1.272798262       -0.1253663784         1.219627736    
H        -0.9672652268        -1.476314971        0.5725043723    
    18
Energy=    -45.0818698625640    
O          1.671729315       -0.2112697797         2.095723613    
O          1.282704159         1.519089233       -0.8324738243E-01
O          1.601048421       -0.6560831095        -1.889995511    
O         -1.443564766         1.350402693       -0.1073788579    
O         -1.181297874        -1.108128945        -1.464190536    
O        -0.9324673495        -1.017914329         1.430021900    
H          1.760657406       -0.9564214094E-01     3.043540166    
H         0.7841714168       -0.6177332800         1.957288901    
H          1.534921486        0.9163804223       -0.8175434528    
H          1.558300539         1.040673370        0.7325331717    
H          2.097458046        -1.345145514        -1.441636152    
H         0.6614038279       -0.9316691510        -1.834973961    
H         -1.894581469         2.198295204       -0.5693441197E-01
H        -0.4646021223         1.550219276       -0.8963342627E-01
H         -1.398966926       -0.2068408663        -1.121714962    
H         -1.901471659        -1.354715788        -2.053017666    
H         -1.271622172       -0.1257442518         1.219690746    
H        -0.9678130831        -1.477669230        0.5723285902    
    18
Energy=    -45.0870548624802    
O          1.670628202       -0.2168901175         2.093330193    
O          1.280336013         1.518729424       -0.8428325447E-01
O          1.603326563       -0.6544878832        -1.892426199    
O         -1.444293280         1.350747783       -0.1075024438    
O         -1.178517100        -1.106323125        -1.459066973    
O        -0.9383757554        -1.017732904         1.433003068    
H          1.763083142       -0.9878598586E-01     3.040503567    
H         0.7806089612       -0.6187584804         1.958215047    
H          1.534518845        0.9167765507       -0.8189804354    
H          1.556727953         1.040146804        0.7314402285    
H          2.103878392        -1.342237947        -1.446519361    
H         0.6642963555       -0.9319165860        -1.832675970    
H         -1.894278022         2.199379531       -0.6092602801E-01
H        -0.4652634763         1.549933454       -0.9218099233E-01
H         -1.398180868       -0.2041603781        -1.119963377    
H         -1.897868345        -1.356498251        -2.047441823    
H         -1.274087024       -0.1243946295         1.221762097    
H        -0.9705333605        -1.477023445        0.5745734243    
    18
Energy=    -45.0952333614843    
O          1.668535718       -0.2235171814         2.090322488    
O          1.277115791         1.517601737       -0.8697889033E-01
O          1.606608772       -0.6507398199        -1.896026819    
O         -1.445447556         1.351137534       -0.1093061753    
O         -1.173401395        -1.101442190        -1.451814954    
O        -0.9467050688        -1.017760060         1.439408792    
H          1.766920604       -0.1065423806         3.036749252    
H         0.7755940930       -0.6198024538         1.959860042    
H          1.533607685        0.9163999191       -0.8213978845    
H          1.553352681         1.039724046        0.7288634001    
H          2.113082851        -1.336606249        -1.454062496    
H         0.6691157552       -0.9312980940        -1.829290087    
H         -1.893107966         2.201243854       -0.6775800661E-01
H        -0.4656238156         1.547561137       -0.9831276001E-01
H         -1.397672742       -0.1985940310        -1.117079367    
H         -1.892131882        -1.358761720        -2.037767221    
H         -1.278498771       -0.1241289179         1.224041291    
H        -0.9753375578        -1.477971315        0.5814101636    
    18
Energy=    -45.0993487710072    
O          1.664985854       -0.2321119505         2.085061486    
O          1.275850245         1.514930218       -0.8943447657E-01
O          1.611740347       -0.6454972187        -1.903347388    
O         -1.447477567         1.353751766       -0.1100264413    
O         -1.166045023        -1.098650099        -1.443819286    
O        -0.9573413460        -1.014649336         1.446523581    
H          1.773978718       -0.1143163119         3.031161237    
H         0.7678746567       -0.6237011873         1.964887613    
H          1.532965219        0.9170615911       -0.8255613513    
H          1.546720997         1.033627566        0.7253692550    
H          2.125677574        -1.328769774        -1.464083761    
H         0.6764667971       -0.9309791065        -1.827498006    
H         -1.893734116         2.204904241       -0.7675713957E-01
H        -0.4667318040         1.547968640       -0.1018748206    
H         -1.394775881       -0.1963298379        -1.111363687    
H         -1.884572655        -1.363554600        -2.026310240    
H         -1.288118111       -0.1210844364         1.229531839    
H        -0.9814567078        -1.476096350        0.5884023533    
    18
Energy=    -45.1013686861163    
O          1.665119186       -0.2291077323         2.086331646    
O          1.276305661         1.514756384       -0.9011639525E-01
O          1.610824860       -0.6450826702        -1.902739435    
O         -1.447068385         1.353306666       -0.1108708158    
O         -1.166334280        -1.097677478        -1.445721574    
O        -0.9561088338        -1.015197464         1.447420976    
H          1.773099221       -0.1164833049         3.032806181    
H         0.7693139255       -0.6221284954         1.964579932    
H          1.533099705        0.9158597365       -0.8252590902    
H          1.546909593         1.035025890        0.7252689797    
H          2.123228863        -1.328628032        -1.462855254    
H         0.6758381105       -0.9299228693        -1.828286302    
H         -1.893201001         2.204286219       -0.7641597305E-01
H        -0.4659128335         1.546524221       -0.1031541434    
H         -1.395424526       -0.1959000413        -1.111800369    
H         -1.885558247        -1.362547716        -2.027177601    
H         -1.287443781       -0.1226491961         1.228288382    
H        -0.9806800423        -1.477930303        0.5905616248    
    18
Energy=    -45.1036076833587    
O          1.663527724       -0.2296246837         2.085055922    
O          1.276519700         1.513562153       -0.9105651942E-01
O          1.612526208       -0.6433054107        -1.906253727    
O         -1.447386780         1.354325854       -0.1106435221    
O         -1.163578442        -1.098652640        -1.445221823    
O        -0.9594447674        -1.013412453         1.451129857    
H          1.774994180       -0.1207912586         3.031662308    
H         0.7674145770       -0.6227183755         1.965882514    
H          1.533444302        0.9152152356       -0.8262055679    
H          1.545468262         1.032756032        0.7241557365    
H          2.125502358        -1.325777831        -1.465449540    
H         0.6778670661       -0.9286047348        -1.829727784    
H         -1.894067899         2.205252832       -0.7941772493E-01
H        -0.4661686936         1.547147369       -0.1027017846    
H         -1.393470598       -0.1975323422        -1.109665432    
H         -1.884074325        -1.363920849        -2.024856198    
H         -1.291282009       -0.1218422673         1.229720878    
H        -0.9817836657        -1.475572815        0.5944531749    
    18
Energy=    -45.1163963506226    
O          1.648940331       -0.2278021668         2.078261786    
O          1.279665797         1.517851770       -0.9726376586E-01
O          1.618850076       -0.6326166700        -1.916531745    
O         -1.444552752         1.354267050       -0.1072726888    
O         -1.153981698        -1.107051018        -1.436917194    
O        -0.9793992417        -1.007375296         1.468258723    
H          1.790343034       -0.1625777144         3.025228178    
H         0.7492816474       -0.6154586533         1.969015451    
H          1.539484790        0.9149916235       -0.8280700256    
H          1.542071949         1.039335267        0.7216651448    
H          2.140730584        -1.317264813        -1.489981098    
H         0.6865800489       -0.9242453235        -1.831543403    
H         -1.896928552         2.202883913       -0.1052258875    
H        -0.4652605420         1.555298137       -0.1033223419    
H         -1.380962364       -0.2071709708        -1.096438844    
H         -1.879211071        -1.368165294        -2.012421244    
H         -1.308440163       -0.1161821293         1.240453345    
H        -0.9912046780        -1.472213898        0.6129663781    
    18
Energy=    -45.1206588634819    
O          1.643850768       -0.2251282880         2.076236746    
O          1.281513918         1.522434149       -0.9812590340E-01
O          1.619639775       -0.6296632639        -1.916683614    
O         -1.442809939         1.353438019       -0.1070791581    
O         -1.152464242        -1.111088381        -1.431501368    
O        -0.9858390322        -1.005526912         1.472473492    
H          1.794947808       -0.1804777579         3.022700739    
H         0.7433219776       -0.6105876249         1.967232901    
H          1.541623252        0.9181471937       -0.8281720469    
H          1.543535469         1.044827093        0.7218721092    
H          2.145622609        -1.317316428        -1.499796591    
H         0.6881302177       -0.9235938413        -1.831904813    
H         -1.898511538         2.200243493       -0.1149853327    
H        -0.4638298719         1.556526266       -0.1023201777    
H         -1.375721358       -0.2095408979        -1.092962343    
H         -1.877600779        -1.369458483        -2.008681475    
H         -1.313181456       -0.1136534147         1.244142706    
H        -0.9962203819        -1.473077107        0.6184148981    
    18
Energy=    -45.1228014849621    
O          1.642092052       -0.2210023916         2.078169504    
O          1.282674594         1.525017111       -0.9738627766E-01
O          1.618325875       -0.6296465297        -1.915917944    
O         -1.441674039         1.351376355       -0.1082646621    
O         -1.154329013        -1.111988947        -1.429572111    
O        -0.9856570180        -1.006353078         1.471729957    
H          1.797215960       -0.1856930030         3.023982105    
H         0.7419561291       -0.6074245981         1.968826101    
H          1.542093358        0.9205494786       -0.8277636817    
H          1.545664052         1.048222660        0.7227068067    
H          2.143692279        -1.319063823        -1.501896492    
H         0.6869623993       -0.9242346918        -1.832382662    
H         -1.897462880         2.197690217       -0.1169703381    
H        -0.4631057823         1.555752584       -0.1019044718    
H         -1.375369509       -0.2089398131        -1.093722364    
H         -1.878120650        -1.368552722        -2.009378173    
H         -1.312068039       -0.1141971240         1.242634199    
H        -0.9968825727        -1.475007870        0.6179712710    
    18
Energy=    -45.1256175133989    
O          1.639330420       -0.2182509247         2.079580243    
O          1.283098813         1.526585605       -0.9541544203E-01
O          1.617313017       -0.6269923725        -1.921623560    
O         -1.441138779         1.350213012       -0.1112552031    
O         -1.149981311        -1.114405533        -1.425550373    
O        -0.9915633801        -1.002691222         1.475866966    
H          1.803056320       -0.1986849028         3.024234640    
H         0.7389194562       -0.6044269443         1.972096133    
H          1.541700663        0.9269224661       -0.8291760418    
H          1.547170548         1.045778186        0.7219317076    
H          2.145082919        -1.316165746        -1.510017725    
H         0.6869432928       -0.9237628713        -1.834975056    
H         -1.896163339         2.197108827       -0.1239330204    
H        -0.4621603676         1.553037700       -0.1003889729    
H         -1.371778991       -0.2106367592        -1.091656349    
H         -1.872793006        -1.372579917        -2.005606161    
H         -1.318494799       -0.1117654861         1.243600374    
H         -1.002534280        -1.472779304        0.6231486090    
    18
Energy=    -45.1333906478690    
O          1.626647264       -0.2045232230         2.130592595    
O          1.294818560         1.509164422       -0.7462812402E-01
O          1.597884773       -0.5935023157        -1.960079638    
O         -1.429182809         1.346048578       -0.1266160832    
O         -1.149282322        -1.130150416        -1.418457719    
O        -0.9941463167       -0.9927197148         1.485302165    
H          1.769296327       -0.1676180203         3.078144461    
H         0.7295232872       -0.5941741947         2.010155842    
H          1.553843461        0.9094951226       -0.8086408449    
H          1.554114144         1.030088615        0.7454280966    
H          2.153583971        -1.318375918        -1.663599826    
H         0.6757370375       -0.9095191355        -1.854491325    
H         -1.876394834         2.196970553       -0.1477904793    
H        -0.4486475691         1.541038097       -0.1045376590    
H         -1.372379599       -0.2236973626        -1.092478208    
H         -1.877772235        -1.399712499        -1.986239002    
H         -1.316647702       -0.1029735303         1.242631969    
H        -0.9949882425        -1.469335243        0.6361645486    
