    18
Energy=    -45.2974841564064    
O          1.007324255         1.037499275        -1.140758970    
H          1.520150572         1.328109974        -1.894253713    
H         0.2596706117        0.5314957910        -1.504966947    
O        -0.1905080559E-01    -2.658623511       -0.1844581361E-01
H         0.6070874026        -2.005822966        0.3868603191    
H         0.3933750893        -3.518438720        0.4812691709E-01
O         -2.328584030        -1.408604371        0.7862363951    
H         -3.082724632        -1.909263507         1.097414302    
H         -1.623263508        -2.056656727        0.6126116525    
O        -0.7977962270        0.2609048009         2.497496613    
H        -0.9901977054         1.191839575         2.379890483    
H         -1.459583446       -0.2075577687         1.966298379    
O          1.414368362       -0.7046196195         1.013668299    
H         0.8014538424       -0.3031781650         1.648991992    
H          1.480073229       -0.4931389515E-01    0.3013880782    
O         -1.057616796       -0.6857427677        -1.829146668    
H        -0.6549942983        -1.505009728        -1.512576392    
H         -1.798461861       -0.5717438453        -1.225766751    
    18
Energy=    -45.2970266039739    
O          1.012657323         1.036896365        -1.140341653    
H          1.526348191         1.320364842        -1.896002518    
H         0.2613969795        0.5339021312        -1.501226141    
O        -0.1843920435E-01    -2.656349280       -0.1991106952E-01
H         0.6079728532        -2.004287528        0.3863303685    
H         0.3954466594        -3.515826686        0.4195130810E-01
O         -2.331607856        -1.414869549        0.7888855938    
H         -3.082696639        -1.917799396         1.103727632    
H         -1.624561554        -2.060624316        0.6139193542    
O        -0.8000477690        0.2632125949         2.491257138    
H        -0.9928870420         1.193170998         2.366694525    
H         -1.461613274       -0.2094399579         1.963470528    
O          1.415825394       -0.7048310814         1.014860274    
H         0.8014043326       -0.3032105915         1.648629891    
H          1.482925295       -0.4972868966E-01    0.3025208922    
O         -1.059870036       -0.6794915156        -1.823017648    
H        -0.6583245862        -1.499409526        -1.506659746    
H         -1.802699011       -0.5664049884        -1.222020550    
    18
Energy=    -45.2960256174595    
O          1.016813400         1.037872192        -1.140229944    
H          1.529608088         1.324053652        -1.895433673    
H         0.2644332165        0.5370927596        -1.501645357    
O        -0.1939900970E-01    -2.660853809       -0.2275735880E-01
H         0.6065841714        -2.008903601        0.3838869896    
H         0.3956560964        -3.519951170        0.3628841696E-01
O         -2.328807037        -1.419078835        0.7946843428    
H         -3.080505198        -1.921992967         1.108025391    
H         -1.622893103        -2.065301255        0.6168877431    
O        -0.8020861120        0.2702754655         2.487545987    
H        -0.9976593418         1.198862129         2.357215468    
H         -1.462268400       -0.2078607677         1.962916882    
O          1.411426546       -0.7072840405         1.015255676    
H         0.7965406675       -0.3025528127         1.646743969    
H          1.483007309       -0.5304359405E-01    0.3026761710    
O         -1.060606373       -0.6752207325        -1.818366833    
H        -0.6585560913        -1.496929808        -1.507705422    
H         -1.800058775       -0.5639089806        -1.212920272    
    18
Energy=    -45.2949566935066    
O          1.016824786         1.039212857        -1.136195612    
H          1.524481077         1.332877631        -1.892090597    
H         0.2644231411        0.5382941374        -1.496886397    
O        -0.1943437304E-01    -2.665072337       -0.2545090726E-01
H         0.6048603847        -2.013208278        0.3833138027    
H         0.3960405859        -3.524053079        0.3442671423E-01
O         -2.328107956        -1.420736008        0.7950022107    
H         -3.078371306        -1.923409768         1.112051342    
H         -1.622254474        -2.066921775        0.6167655892    
O        -0.8039804640        0.2756217438         2.484241149    
H        -0.9930781728         1.204057718         2.341599572    
H         -1.463339151       -0.2044809836         1.960287916    
O          1.410021015       -0.7113977887         1.015375956    
H         0.7963196857       -0.3057289137         1.647619662    
H          1.484510712       -0.5571898211E-01    0.3046297317    
O         -1.060336413       -0.6733992753        -1.815283678    
H        -0.6574865556        -1.495963296        -1.507222547    
H         -1.799862468       -0.5646997766        -1.209115728    
    18
Energy=    -45.2891184117191    
O         0.9998753589         1.047024038        -1.106253864    
H          1.497415693         1.365904049        -1.858595287    
H         0.2523678129        0.5426010893        -1.473419314    
O        -0.1992464380E-01    -2.670634339       -0.2265665042E-01
H         0.6104941730        -2.023962501        0.3860125475    
H         0.3904249602        -3.532415703        0.2823807889E-01
O         -2.328106114        -1.425949876        0.7929460722    
H         -3.076547441        -1.924022975         1.121554906    
H         -1.623620477        -2.074247329        0.6171786225    
O        -0.8029292158        0.2942980491         2.460747630    
H        -0.9624195301         1.219415549         2.268107946    
H         -1.459383485       -0.1928932493         1.939753978    
O          1.415478731       -0.7281315694         1.019668922    
H         0.7985746410       -0.3207047101         1.647553359    
H          1.495595996       -0.7079374547E-01    0.3110948630    
O         -1.059473892       -0.6729664972        -1.808993732    
H        -0.6564302145        -1.497368686        -1.506411779    
H         -1.800162298       -0.5698777691        -1.203458121    
    18
Energy=    -45.2870626299714    
O          1.001136868         1.046205260        -1.109388248    
H          1.500432866         1.362704192        -1.861904574    
H         0.2530717326        0.5417409638        -1.475811913    
O        -0.1974818839E-01    -2.670106937       -0.2286500927E-01
H         0.6103042675        -2.022897046        0.3858227271    
H         0.3907766469        -3.531968281        0.2854949283E-01
O         -2.328077215        -1.425568197        0.7931641118    
H         -3.076569644        -1.923980899         1.120923154    
H         -1.623300658        -2.073789790        0.6171204692    
O        -0.8032808085        0.2915876686         2.462719788    
H        -0.9647745920         1.218954120         2.275757413    
H         -1.460566618       -0.1945522057         1.941876615    
O          1.413906276       -0.7267268054         1.019049161    
H         0.7980897034       -0.3180268002         1.647404286    
H          1.495283409       -0.6950405050E-01    0.3104800873    
O         -1.059090696       -0.6727692539        -1.809352761    
H        -0.6566259046        -1.497132772        -1.506805165    
H         -1.799737392       -0.5688953426        -1.203671456    
    18
Energy=    -45.2762964812094    
O         0.9804518118         1.055184310        -1.074579265    
H          1.469961403         1.398158132        -1.822088151    
H         0.2404380273        0.5458868612        -1.450319990    
O        -0.2161267898E-01    -2.678318554       -0.2407902435E-01
H         0.6101542453        -2.036256272        0.3883179953    
H         0.3874071717        -3.541007564        0.2417673444E-01
O         -2.329701352        -1.428815953        0.7920096761    
H         -3.075872707        -1.925207563         1.128848957    
H         -1.625190558        -2.077646809        0.6202613194    
O        -0.7981159272        0.3118152017         2.433180648    
H        -0.9310549921         1.232017518         2.192854998    
H         -1.453379990       -0.1821984269         1.917415162    
O          1.427625205       -0.7411034254         1.027962445    
H         0.8020766908       -0.3349076688         1.648424688    
H          1.504176687       -0.8493281994E-01    0.3181110115    
O         -1.060392865       -0.6739275227        -1.804502719    
H        -0.6536105980        -1.497172178        -1.503558879    
H         -1.802129519       -0.5762934422        -1.199367429    
    18
Energy=    -45.2723892284234    
O         0.9746516818         1.057721361        -1.064483756    
H          1.460907084         1.408693619        -1.810426398    
H         0.2368852961        0.5473034031        -1.442866673    
O        -0.2210459310E-01    -2.680629825       -0.2420485293E-01
H         0.6103845869        -2.039982682        0.3889173225    
H         0.3863480521        -3.543622646        0.2291769005E-01
O         -2.330084373        -1.429831811        0.7916309897    
H         -3.075658501        -1.925244448         1.131148826    
H         -1.625709147        -2.079030218        0.6208929233    
O        -0.7964341992        0.3183036234         2.424052432    
H        -0.9212628596         1.235331665         2.168449849    
H         -1.451529129       -0.1784232449         1.910710859    
O          1.431130305       -0.7456808549         1.030221178    
H         0.8038612087       -0.3400761416         1.649354851    
H          1.506554980       -0.8925728937E-01    0.3205254967    
O         -1.060649036       -0.6742034108        -1.802777329    
H        -0.6528602666        -1.497294594        -1.502662171    
H         -1.803201036       -0.5788026800        -1.198333060    
    18
Energy=    -45.2689773622331    
O         0.9659660962         1.061420103        -1.049443599    
H          1.447112616         1.424740542        -1.792595522    
H         0.2314980156        0.5495591403        -1.431685786    
O        -0.2262156052E-01    -2.684114661       -0.2410358429E-01
H         0.6111323600        -2.045386410        0.3896912172    
H         0.3845591674        -3.547611103        0.2095272350E-01
O         -2.330593051        -1.431415277        0.7910981596    
H         -3.075218692        -1.924949455         1.134608938    
H         -1.626502530        -2.081435192        0.6215857596    
O        -0.7936482996        0.3287203519         2.409356101    
H        -0.9064015628         1.239425877         2.131610423    
H         -1.449185086       -0.1724277714         1.901040521    
O          1.435353061       -0.7531476461         1.033167947    
H         0.8073225289       -0.3476408334         1.651511204    
H          1.510238283       -0.9557237128E-01    0.3244421010    
O         -1.060750893       -0.6743776020        -1.799782888    
H        -0.6518874686        -1.497617608        -1.501419726    
H         -1.805142931       -0.5828962592        -1.196965812    
    18
Energy=    -45.2619190237473    
O         0.9626244515         1.062929025        -1.042523441    
H          1.440458215         1.431592647        -1.785023395    
H         0.2297626668        0.5514138383        -1.426908091    
O        -0.2280300014E-01    -2.685208207       -0.2347509694E-01
H         0.6121418258        -2.047534817        0.3900741400    
H         0.3836124750        -3.549063381        0.2007130881E-01
O         -2.330554264        -1.432227563        0.7908238312    
H         -3.075014086        -1.924841126         1.136070792    
H         -1.627222751        -2.082726905        0.6216207234    
O        -0.7920089492        0.3340212141         2.404330368    
H        -0.9011813089         1.239570425         2.114849155    
H         -1.447555667       -0.1679703979         1.896350204    
O          1.436891943       -0.7567883244         1.033872408    
H         0.8090247935       -0.3520452100         1.652567700    
H          1.511757994       -0.9831602027E-01    0.3262034793    
O         -1.060875828       -0.6745762292        -1.798417049    
H        -0.6517280240        -1.497945092        -1.500907878    
H         -1.806100432       -0.5850100511        -1.196510981    
    18
Energy=    -45.2527769499540    
O         0.9472552258         1.069592531        -1.018593152    
H          1.418870493         1.458794780        -1.754268023    
H         0.2189207678        0.5527799646        -1.408038133    
O        -0.2401100487E-01    -2.691669946       -0.2480931743E-01
H         0.6117850416        -2.057024821        0.3912027148    
H         0.3812446633        -3.557049970        0.1686047092E-01
O         -2.331484864        -1.434441211        0.7898291494    
H         -3.074681242        -1.924385490         1.142168605    
H         -1.627686949        -2.086117005        0.6234038327    
O        -0.7883996970        0.3498023031         2.375397291    
H        -0.8728312581         1.250354166         2.055144172    
H         -1.445497220       -0.1627973922         1.881727679    
O          1.444394914       -0.7686074873         1.040033183    
H         0.8145708338       -0.3615421637         1.656368822    
H          1.518165928       -0.1087944823        0.3327478973    
O         -1.060342488       -0.6748110554        -1.793379038    
H        -0.6496236486        -1.497710135        -1.498929548    
H         -1.809419442       -0.5910987632        -1.193798428    
    18
Energy=    -45.2510038598063    
O         0.9443931731         1.070840982        -1.013763801    
H          1.414307572         1.464079041        -1.748217130    
H         0.2170407082        0.5534257507        -1.404414860    
O        -0.2416522235E-01    -2.692810047       -0.2478609027E-01
H         0.6120693763        -2.058769916        0.3914170784    
H         0.3806564664        -3.558507498        0.1619629610E-01
O         -2.331542751        -1.434963308        0.7896411564    
H         -3.074553941        -1.924224992         1.143340328    
H         -1.627961726        -2.086926952        0.6236111435    
O        -0.7873768044        0.3532381972         2.370095412    
H        -0.8677840730         1.251573718         2.043074265    
H         -1.444973692       -0.1608580739         1.878716969    
O          1.445466941       -0.7711540650         1.040901071    
H         0.8159183527       -0.3637457753         1.657309900    
H          1.519447719       -0.1108446220        0.3341539286    
O         -1.060241669       -0.6748003800        -1.792254925    
H        -0.6493371598        -1.497788131        -1.498567505    
H         -1.810133215       -0.5924901029        -1.193385059    
    18
Energy=    -45.2420396380958    
O         0.9171893566         1.082364704       -0.9670630064    
H          1.369874318         1.513983148        -1.690711269    
H         0.2001308617        0.5607590322        -1.370489803    
O        -0.2516191579E-01    -2.703924353       -0.2385706240E-01
H         0.6157283173        -2.075076642        0.3934075014    
H         0.3744924402        -3.571692142        0.9738880885E-02
O         -2.332007312        -1.440103607        0.7880944278    
H         -3.072910156        -1.922382590         1.154315212    
H         -1.630995452        -2.095188080        0.6252004290    
O        -0.7759375329        0.3863787220         2.320774620    
H        -0.8216305526         1.259846581         1.927128860    
H         -1.439995889       -0.1388534546         1.849479618    
O          1.454202648       -0.7959467094         1.048178511    
H         0.8295598113       -0.3851185145         1.666986586    
H          1.531882345       -0.1303149382        0.3479497012    
O         -1.059789895       -0.6738507279        -1.780895717    
H        -0.6467622659        -1.499282444        -1.495049958    
H         -1.816639072       -0.6063241592        -1.190119355    
    18
Energy=    -45.2406179775879    
O         0.9054308598         1.088457685       -0.9438059167    
H          1.347089392         1.539147476        -1.662790835    
H         0.1923953697        0.5657991440        -1.352507681    
O        -0.2591426475E-01    -2.708198421       -0.2223997212E-01
H         0.6184527430        -2.082944593        0.3947804790    
H         0.3713464467        -3.577223482        0.6642855520E-02
O         -2.332389477        -1.442845451        0.7869726097    
H         -3.072384968        -1.921970704         1.159664238    
H         -1.632885289        -2.099500842        0.6255970854    
O        -0.7727902062        0.4063873656         2.299333084    
H        -0.7999997371         1.263262251         1.869011256    
H         -1.434102196       -0.1274820575         1.834167996    
O          1.460908891       -0.8087369735         1.051453102    
H         0.8351351055       -0.4002524558         1.670453767    
H          1.537125098       -0.1401674348        0.3540603638    
O         -1.060384841       -0.6747240674        -1.776300673    
H        -0.6457770914        -1.500263922        -1.493149010    
H         -1.820025781       -0.6134696909        -1.188274570    
    18
Energy=    -45.2399958488161    
O         0.8972555841         1.091678143       -0.9313917241    
H          1.335305940         1.550859111        -1.647138951    
H         0.1876051477        0.5671973454        -1.343725567    
O        -0.2621034184E-01    -2.710601678       -0.2198656376E-01
H         0.6191704956        -2.086949124        0.3956430858    
H         0.3699857131        -3.580166624        0.5228196839E-02
O         -2.332815723        -1.443866871        0.7865874953    
H         -3.072284905        -1.921577612         1.162101999    
H         -1.633633351        -2.101089295        0.6264138947    
O        -0.7700867492        0.4150552047         2.286457056    
H        -0.7860830108         1.262988218         1.838619400    
H         -1.432200278       -0.1220458805         1.826348313    
O          1.463805462       -0.8142238448         1.053910711    
H         0.8373549809       -0.4054272460         1.672076639    
H          1.540260440       -0.1449603839        0.3573266181    
O         -1.060162562       -0.6748572422        -1.774009263    
H        -0.6450088118        -1.500563534        -1.492127447    
H         -1.821027977       -0.6161748604        -1.187265714    
    18
Energy=    -45.2406949586995    
O         0.8890803084         1.094898602       -0.9189775314    
H          1.323522489         1.562570746        -1.631487067    
H         0.1828149256        0.5685955468        -1.334943453    
O        -0.2650641894E-01    -2.713004936       -0.2173315540E-01
H         0.6198882482        -2.090953655        0.3965056927    
H         0.3686249795        -3.583109766        0.3813538159E-02
O         -2.333241969        -1.444888290        0.7862023808    
H         -3.072184843        -1.921184521         1.164539759    
H         -1.634381414        -2.102677747        0.6272307039    
O        -0.7673832923        0.4237230439         2.273581028    
H        -0.7721662845         1.262714184         1.808227544    
H         -1.430298360       -0.1166097034         1.818528630    
O          1.466702033       -0.8197107161         1.056368319    
H         0.8395748563       -0.4106020361         1.673699511    
H          1.543395783       -0.1497533331        0.3605928724    
O         -1.059940283       -0.6749904171        -1.771717853    
H        -0.6442405322        -1.500863147        -1.491105884    
H         -1.822030172       -0.6188800299        -1.186256858    
    18
Energy=    -45.2429206561731    
O         0.8488773430         1.107340006       -0.8688407873    
H          1.277251636         1.602810840        -1.566057610    
H         0.1621876933        0.5697653255        -1.304497568    
O        -0.2716027297E-01    -2.723610689       -0.2337161609E-01
H         0.6200490311        -2.106432618        0.4000068061    
H         0.3643818176        -3.595544244       -0.1208986896E-02
O         -2.335271429        -1.447474527        0.7856299807    
H         -3.071879334        -1.918745109         1.173588675    
H         -1.636622218        -2.106664079        0.6327150536    
O        -0.7501450326        0.4487919699         2.217345843    
H        -0.7091069217         1.251359843         1.688305594    
H         -1.429137971       -0.9351526257E-01     1.788504373    
O          1.473237741       -0.8368777026         1.068432038    
H         0.8464484369       -0.4182685636         1.680341448    
H          1.557902966       -0.1673717786        0.3741174442    
O         -1.055998501       -0.6732771740        -1.762080623    
H        -0.6404171005        -1.501155434        -1.487193891    
H         -1.823367832       -0.6258569787        -1.182667994    
    18
Energy=    -45.2605628793638    
O         0.8240305354         1.115230437       -0.8381491690    
H          1.248510292         1.628428156        -1.525158849    
H         0.1492770292        0.5706729153        -1.284469229    
O        -0.2762375418E-01    -2.729912817       -0.2413215193E-01
H         0.6201915987        -2.116052887        0.4023411383    
H         0.3617331596        -3.603031109       -0.4305722824E-02
O         -2.336599559        -1.449076685        0.7850053982    
H         -3.071987196        -1.917446838         1.179314645    
H         -1.637985430        -2.109086844        0.6360893418    
O        -0.7414546151        0.4676565727         2.180588487    
H        -0.6692066254         1.243256871         1.614838399    
H         -1.426857467       -0.8022302414E-01     1.770339054    
O          1.478559078       -0.8477938997         1.076119184    
H         0.8501665161       -0.4245723302         1.683902146    
H          1.566603690       -0.1784384364        0.3822579766    
O         -1.053946257       -0.6727570558        -1.756535017    
H        -0.6379854139        -1.501385081        -1.484656800    
H         -1.824195528       -0.6301941195        -1.180320653    
    18
Energy=    -45.2619078165986    
O         0.8200379293         1.116489719       -0.8331963513    
H          1.243893233         1.632510155        -1.518606486    
H         0.1472104505        0.5708126827        -1.281308436    
O        -0.2769723444E-01    -2.730937906       -0.2426636540E-01
H         0.6202143323        -2.117596652        0.4027092103    
H         0.3613087812        -3.604243339       -0.4803723567E-02
O         -2.336810987        -1.449335934        0.7849189767    
H         -3.071988706        -1.917227477         1.180227783    
H         -1.638206521        -2.109478251        0.6366322720    
O        -0.7399572384        0.4705198096         2.174792245    
H        -0.6628418615         1.242011845         1.602984107    
H         -1.426565466       -0.7803310985E-01     1.767392806    
O          1.479354508       -0.8495324564         1.077343703    
H         0.8507893636       -0.4255153678         1.684498856    
H          1.568014610       -0.1802107182        0.3835776953    
O         -1.053599051       -0.6726483444        -1.755624479    
H        -0.6375978202        -1.501420332        -1.484254259    
H         -1.824328269       -0.6308904997        -1.179949375    
    18
Energy=    -45.2753433611151    
O         0.8026338334         1.122240619       -0.8115382775    
H          1.223603818         1.651261663        -1.489586298    
H         0.1378324296        0.5715117151        -1.266303388    
O        -0.2806522847E-01    -2.735186139       -0.2458362353E-01
H         0.6203645994        -2.124419215        0.4044986907    
H         0.3594081849        -3.609320706       -0.6979081998E-02
O         -2.337806522        -1.450464441        0.7842640575    
H         -3.072307525        -1.916495999         1.184361371    
H         -1.639159481        -2.111160680        0.6389919730    
O        -0.7351193903        0.4856107908         2.148315585    
H        -0.6339770366         1.236709516         1.550990754    
H         -1.423991974       -0.6977249230E-01     1.754629084    
O          1.484172599       -0.8574802674         1.082928083    
H         0.8529618319       -0.4312739778         1.686564294    
H          1.573909189       -0.1881512315        0.3891300076    
O         -1.052496658       -0.6727003514        -1.752073478    
H        -0.6358201212        -1.501659389        -1.482355199    
H         -1.824912495       -0.6339755901        -1.178186377    
    18
Energy=    -45.3834354467540    
O         0.7530150832         1.143201737       -0.7381771141    
H          1.153132533         1.714388654        -1.397475069    
H         0.1087146786        0.5821594658        -1.209902891    
O        -0.2980843493E-01    -2.744074348       -0.1983458715E-01
H         0.6251276460        -2.145995880        0.4124758294    
H         0.3521790777        -3.620108145       -0.1361365899E-01
O         -2.343290218        -1.455478122        0.7813567610    
H         -3.073899807        -1.915751172         1.196531061    
H         -1.643945651        -2.117890056        0.6447848825    
O        -0.7290770450        0.5555716177         2.070549324    
H        -0.5501152610         1.216598570         1.383216944    
H         -1.394532872       -0.4379192229E-01     1.703743069    
O          1.511149437       -0.8858043091         1.099951677    
H         0.8548265982       -0.4727504408         1.686948266    
H          1.589326378       -0.2159579467        0.4047674148    
O         -1.053986021       -0.6788404487        -1.745767353    
H        -0.6309141145        -1.504703073        -1.474875413    
H         -1.826671952       -0.6455003559        -1.171610964    
    18
Energy=    -45.3986636628417    
O         0.7558388397         1.142227690       -0.7411548087    
H          1.156081982         1.711778429        -1.402187711    
H         0.1102729610        0.5825573557        -1.211790626    
O        -0.3010391218E-01    -2.743269451       -0.1964262300E-01
H         0.6256289220        -2.144717529        0.4124697375    
H         0.3524694791        -3.619163310       -0.1325705079E-01
O         -2.343534786        -1.455504888        0.7815785297    
H         -3.073619394        -1.915761378         1.195688742    
H         -1.643852106        -2.117769305        0.6442966544    
O        -0.7302242244        0.5543580282         2.074829748    
H        -0.5550962370         1.217192085         1.391349157    
H         -1.393854934       -0.4504651032E-01     1.705188934    
O          1.510817918       -0.8846173681         1.098951215    
H         0.8543680637       -0.4730330415         1.686319886    
H          1.588260709       -0.2149259137        0.4039224616    
O         -1.054427937       -0.6790449830        -1.746539326    
H        -0.6312210353        -1.504849154        -1.475089617    
H         -1.826574255       -0.6451369313        -1.171865123    
    18
Energy=    -45.5510239086749    
O         0.7437302611         1.147710679       -0.7181858089    
H          1.131774730         1.724369045        -1.377245368    
H         0.1053730609        0.5915087895        -1.199584191    
O        -0.3016297552E-01    -2.744228819       -0.1552034613E-01
H         0.6316861552        -2.149249563        0.4146924251    
H         0.3492906782        -3.621496700       -0.1539056414E-01
O         -2.343561850        -1.457779698        0.7819889903    
H         -3.072655836        -1.914301542         1.197873014    
H         -1.647426647        -2.122114450        0.6439982266    
O        -0.7176134526        0.5688650366         2.055263958    
H        -0.5470336970         1.205627685         1.350408815    
H         -1.382417611       -0.2566214463E-01     1.683153894    
O          1.510273173       -0.8952299366         1.098867260    
H         0.8589339329       -0.4842292979         1.690082506    
H          1.594104862       -0.2220350148        0.4100439768    
O         -1.053154170       -0.6792643298        -1.742438779    
H        -0.6319057630        -1.506793598        -1.473755581    
H         -1.828004797       -0.6504223161        -1.171184249    
    18
Energy=    -45.6141078487937    
O         0.7086080060         1.163100704       -0.6652144810    
H          1.079253330         1.764062750        -1.310692173    
H         0.8513465894E-01    0.5991954707        -1.166957530    
O        -0.3258775028E-01    -2.750659467       -0.1232861593E-01
H         0.6395695354        -2.161968241        0.4200275658    
H         0.3439499162        -3.632711090       -0.2061277621E-01
O         -2.343222740        -1.462509715        0.7806879215    
H         -3.073044350        -1.911517262         1.206359562    
H         -1.652820045        -2.128516709        0.6466168131    
O        -0.6953911155        0.6034589727         1.992545076    
H        -0.4999725966         1.187912149         1.241358368    
H         -1.368705323        0.5187731354E-02     1.644240072    
O          1.514840136       -0.9168024577         1.106460572    
H         0.8683043273       -0.5033476958         1.696514297    
H          1.608279484       -0.2407131742        0.4250215821    
O         -1.049691733       -0.6796049606        -1.732841708    
H        -0.6301224620        -1.509003288        -1.469980625    
H         -1.831151224       -0.6602898915        -1.168135741    
    18
Energy=    -45.7541237685192    
O         0.6827804518         1.168939170       -0.6398143285    
H          1.050215066         1.788953562        -1.270034086    
H         0.7439934839E-01    0.6019104457        -1.147267436    
O        -0.2817900256E-01    -2.757024056       -0.9650517419E-02
H         0.6398436421        -2.171213730        0.4201708440    
H         0.3390496385        -3.638151015       -0.2399836552E-01
O         -2.344331655        -1.463488538        0.7801464056    
H         -3.073030457        -1.908248557         1.211726707    
H         -1.653180271        -2.134772961        0.6476207541    
O        -0.6753461564        0.6169024647         1.944937281    
H        -0.4710401090         1.178736853         1.185080769    
H         -1.369571963        0.2367202468E-01     1.625004273    
O          1.514869735       -0.9332352627         1.110158639    
H         0.8746244088       -0.5048713355         1.704826862    
H          1.618240095       -0.2495880101        0.4339881089    
O         -1.046591047       -0.6769936423        -1.723920200    
H        -0.6284332676        -1.510147145        -1.468165894    
H         -1.833088404       -0.6661064423        -1.167741639    
    18
Energy=    -45.7746754150238    
O         0.6874691172         1.167509442       -0.6481240214    
H          1.057580549         1.784984485        -1.278160144    
H         0.7580516789E-01    0.5985970576        -1.152146575    
O        -0.2887344951E-01    -2.756461304       -0.1126408321E-01
H         0.6381835550        -2.169361704        0.4194459718    
H         0.3403751042        -3.638185751       -0.2324376210E-01
O         -2.343865023        -1.463283204        0.7796880386    
H         -3.073335884        -1.908328936         1.211014363    
H         -1.652228313        -2.133369550        0.6475184453    
O        -0.6786248539        0.6108940933         1.950630737    
H        -0.4751236225         1.180982021         1.201299077    
H         -1.373206518        0.1965847797E-01     1.631726543    
O          1.514295995       -0.9292086971         1.110272586    
H         0.8739568499       -0.5007010508         1.703432591    
H          1.616596677       -0.2477491284        0.4324557836    
O         -1.046695740       -0.6766834565        -1.724649371    
H        -0.6281618497        -1.509418967        -1.468592528    
H         -1.832917708       -0.6646000037        -1.168235475    
    18
Energy=    -45.7821119725132    
O         0.6849923639         1.168824268       -0.6448589837    
H          1.053318363         1.788889681        -1.272932477    
H         0.7400885813E-01    0.5986752530        -1.149500484    
O        -0.2954290441E-01    -2.757727318       -0.1169251078E-01
H         0.6383992020        -2.170321172        0.4199989818    
H         0.3400945675        -3.638911255       -0.2350663280E-01
O         -2.344013488        -1.463974479        0.7791825339    
H         -3.073388375        -1.908033734         1.211743167    
H         -1.652546592        -2.133494114        0.6479157078    
O        -0.6783784603        0.6141472827         1.946014783    
H        -0.4702617729         1.178999088         1.193406558    
H         -1.371900824        0.2197988127E-01     1.628975922    
O          1.515938738       -0.9302672288         1.111877956    
H         0.8742593902       -0.5023996892         1.703136206    
H          1.617677270       -0.2495911888        0.4333258519    
O         -1.046483455       -0.6768464685        -1.724086802    
H        -0.6276606678        -1.509415806        -1.468053359    
H         -1.833282159       -0.6652591745        -1.167878241    
    18
Energy=    -45.8097793562189    
O         0.6770874474         1.171001028       -0.6366560714    
H          1.037356506         1.803427285        -1.257427376    
H         0.6940120105E-01    0.5989077212        -1.143660329    
O        -0.3119874150E-01    -2.762201441       -0.1450226977E-01
H         0.6355927683        -2.175153809        0.4205591253    
H         0.3399754470        -3.642198104       -0.2384256145E-01
O         -2.345606408        -1.465765575        0.7761119716    
H         -3.073007698        -1.906497866         1.214286792    
H         -1.652713112        -2.134265214        0.6497347314    
O        -0.6777434413        0.6231181383         1.934541112    
H        -0.4526207580         1.168136412         1.171648055    
H         -1.370607930        0.3205742199E-01     1.619559122    
O          1.522940098       -0.9318170744         1.119151772    
H         0.8743370497       -0.5043042018         1.701800181    
H          1.622750741       -0.2568179997        0.4354721217    
O         -1.045312274       -0.6764793056        -1.720904763    
H        -0.6251414931        -1.508437009        -1.465573501    
H         -1.834259348       -0.6674365827        -1.167229935    
    18
Energy=    -45.8334095559057    
O         0.6713495968         1.171101922       -0.6327763977    
H          1.022746505         1.814940367        -1.246477398    
H         0.6713623663E-01    0.5989933919        -1.142978258    
O        -0.3274518225E-01    -2.765391766       -0.1831468031E-01
H         0.6311103153        -2.179985618        0.4201811012    
H         0.3410163517        -3.646933609       -0.2370566866E-01
O         -2.346837416        -1.467192117        0.7724122051    
H         -3.072081704        -1.904681819         1.216457667    
H         -1.652948535        -2.134577692        0.6517528726    
O        -0.6758794952        0.6265269535         1.928246733    
H        -0.4371958180         1.156513384         1.158657549    
H         -1.374332668        0.4196601929E-01     1.612865535    
O          1.527638298       -0.9319161388         1.126201344    
H         0.8742047510       -0.5005841067         1.701428400    
H          1.628874415       -0.2627653793        0.4364930507    
O         -1.043260553       -0.6745402727        -1.717262885    
H        -0.6224813661        -1.507022842        -1.463090241    
H         -1.835083676       -0.6691768503        -1.167022750    
    18
Energy=    -45.8496060201618    
O         0.6719263675         1.169130057       -0.6349486798    
H          1.017293021         1.818436238        -1.246727303    
H         0.6775426712E-01    0.5984551588        -1.147957163    
O        -0.3242930692E-01    -2.768064855       -0.2110891454E-01
H         0.6274297966        -2.182031702        0.4194285992    
H         0.3416493638        -3.647998998       -0.2312047586E-01
O         -2.347836643        -1.466367146        0.7696308424    
H         -3.071614154        -1.903993435         1.217355517    
H         -1.652360975        -2.134916780        0.6527941126    
O        -0.6760749330        0.6239309083         1.931188240    
H        -0.4313679405         1.149988259         1.161854400    
H         -1.379794276        0.4588786529E-01     1.612826825    
O          1.528244712       -0.9291116391         1.128954038    
H         0.8736637979       -0.4946708518         1.701081618    
H          1.632709408       -0.2654740327        0.4365053220    
O         -1.041978145       -0.6734438183        -1.715123744    
H        -0.6213120483        -1.505078999        -1.461998158    
H         -1.834672258       -0.6694024035        -1.167566898    
    18
Energy=    -45.8567789608566    
O         0.6730435249         1.167766209       -0.6371208773    
H          1.015885479         1.818333733        -1.248294004    
H         0.6885153627E-01    0.5987236089        -1.150936129    
O        -0.3180732265E-01    -2.768642158       -0.2172411120E-01
H         0.6266494272        -2.182351602        0.4192834736    
H         0.3417853922        -3.648191706       -0.2292138344E-01
O         -2.347984488        -1.466299915        0.7688201985    
H         -3.071165683        -1.903651036         1.217354511    
H         -1.652764971        -2.134626764        0.6530133088    
O        -0.6760059091        0.6216925380         1.933633619    
H        -0.4302229193         1.148358960         1.165414721    
H         -1.382867069        0.4633087278E-01     1.614154191    
O          1.526418148       -0.9290944716         1.129593262    
H         0.8735837214       -0.4914572260         1.701425191    
H          1.634695519       -0.2650007738        0.4357074350    
O         -1.041558250       -0.6722672426        -1.715064651    
H        -0.6208504312        -1.505033244        -1.461605992    
H         -1.834455651       -0.6693159579        -1.167664586    
    18
Energy=    -45.8617447452992    
O         0.6729518168         1.167471081       -0.6365057019    
H          1.013620455         1.819383903        -1.247347620    
H         0.6882640418E-01    0.5994356976        -1.151312664    
O        -0.3128665163E-01    -2.768499908       -0.2129898874E-01
H         0.6272540668        -2.182679540        0.4196808312    
H         0.3415460911        -3.648569029       -0.2308998951E-01
O         -2.348076429        -1.466130261        0.7684895173    
H         -3.071138560        -1.903574627         1.217612072    
H         -1.653293364        -2.134829619        0.6529646868    
O        -0.6756759426        0.6220900907         1.932960016    
H        -0.4284620507         1.147599161         1.163908108    
H         -1.383492763        0.4678835557E-01     1.614029038    
O          1.525053212       -0.9301519482         1.128697863    
H         0.8736071336       -0.4908639374         1.702124674    
H          1.636275232       -0.2654368418        0.4363160542    
O         -1.041304042       -0.6722799369        -1.715110312    
H        -0.6208987359        -1.504956241        -1.461505054    
H         -1.834275819       -0.6695225737        -1.167544351    
    18
Energy=    -45.8711735838433    
O         0.6748504458         1.166254161       -0.6374689069    
H          1.009828767         1.821615221        -1.247869806    
H         0.6925934252E-01    0.6007813406        -1.152908852    
O        -0.3026270343E-01    -2.767715036       -0.2020384914E-01
H         0.6288778456        -2.182826723        0.4208997765    
H         0.3412107368        -3.648850071       -0.2325910460E-01
O         -2.348838900        -1.465623933        0.7675942755    
H         -3.071245776        -1.903540577         1.217876809    
H         -1.654283137        -2.135020829        0.6525615211    
O        -0.6777341668        0.6234972801         1.934693610    
H        -0.4254781849         1.146020075         1.164490595    
H         -1.383898389        0.4625833957E-01     1.615192886    
O          1.521966176       -0.9318302026         1.127093203    
H         0.8731620278       -0.4905827684         1.702207177    
H          1.639646801       -0.2659236340        0.4369176077    
O         -1.041590446       -0.6729575575        -1.716128662    
H        -0.6208530334        -1.504768931        -1.461254572    
H         -1.833387351       -0.6695123297        -1.167365531    
    18
Energy=    -45.8792724856395    
O         0.6766114725         1.164917840       -0.6386474126    
H          1.001110921         1.829367178        -1.245817844    
H         0.6858780902E-01    0.6016007365        -1.154173929    
O        -0.2904651684E-01    -2.768008294       -0.1898683770E-01
H         0.6308998177        -2.183867795        0.4229333530    
H         0.3405242584        -3.649524797       -0.2357569958E-01
O         -2.350230754        -1.466249779        0.7657983170    
H         -3.071520488        -1.902622278         1.218632616    
H         -1.655952522        -2.134802931        0.6518995386    
O        -0.6804965847        0.6271917515         1.935312377    
H        -0.4180217149         1.140960949         1.162457507    
H         -1.384125388        0.4776771224E-01     1.615382853    
O          1.519278911       -0.9346258133         1.125788221    
H         0.8719288393       -0.4900922450         1.701816725    
H          1.645850093       -0.2686405121        0.4389157392    
O         -1.041389181       -0.6736343182        -1.717884120    
H        -0.6196490125        -1.504802229        -1.460303124    
H         -1.833129905       -0.6696613506        -1.166480102    
    18
Energy=    -45.8863080533388    
O         0.6754753646         1.165195289       -0.6372127624    
H         0.9916888801         1.837500943        -1.239869994    
H         0.6698355419E-01    0.6022134652        -1.152794441    
O        -0.2876419291E-01    -2.768687906       -0.1816869969E-01
H         0.6325167597        -2.185408854        0.4245161582    
H         0.3399016259        -3.650968685       -0.2406645683E-01
O         -2.351440778        -1.466457413        0.7643371744    
H         -3.072065233        -1.901771128         1.219839109    
H         -1.656745022        -2.135533005        0.6514343463    
O        -0.6805507331        0.6316528982         1.931639897    
H        -0.4102015134         1.136057049         1.154980956    
H         -1.383572280        0.5107769401E-01     1.612982296    
O          1.517612375       -0.9376138603         1.126982793    
H         0.8721505826       -0.4911535570         1.701111322    
H          1.651011298       -0.2714800428        0.4408054447    
O         -1.041843256       -0.6746490829        -1.717330409    
H        -0.6187009261        -1.504388240        -1.459582919    
H         -1.832226451       -0.6703117380        -1.166535635    
    18
Energy=    -45.8892509831272    
O         0.6763481599         1.165194683       -0.6390007674    
H         0.9907965381         1.838923807        -1.240134170    
H         0.6714801357E-01    0.6016746554        -1.152988260    
O        -0.2898023932E-01    -2.768730534       -0.1795636150E-01
H         0.6325981623        -2.185438450        0.4246608763    
H         0.3399586980        -3.650900002       -0.2400472683E-01
O         -2.351802853        -1.466650200        0.7641499156    
H         -3.072357908        -1.901450862         1.219799169    
H         -1.656640990        -2.135438122        0.6509902020    
O        -0.6810240869        0.6320297537         1.932787188    
H        -0.4104563466         1.135125174         1.156566963    
H         -1.383008100        0.5135513644E-01     1.613188786    
O          1.518059257       -0.9374766391         1.127622190    
H         0.8716043649       -0.4914733707         1.700195134    
H          1.651549260       -0.2719491173        0.4409393528    
O         -1.041968184       -0.6750729530        -1.717688100    
H        -0.6183166696        -1.504320257        -1.459533622    
H         -1.832277021       -0.6701288781        -1.166525592    
    18
Energy=    -45.8908689021277    
O         0.6749659272         1.165703619       -0.6376462259    
H         0.9856509469         1.843778578        -1.236220635    
H         0.6615945389E-01    0.6013659148        -1.151880453    
O        -0.2909191294E-01    -2.769618234       -0.1774800689E-01
H         0.6324867953        -2.186730476        0.4249214450    
H         0.3396767717        -3.651614339       -0.2422972902E-01
O         -2.352244663        -1.467091750        0.7635914283    
H         -3.072594299        -1.900764720         1.220386504    
H         -1.656903504        -2.135697808        0.6507917715    
O        -0.6798549364        0.6341207530         1.929988410    
H        -0.4067979295         1.132288874         1.151596576    
H         -1.382486155        0.5401286188E-01     1.611191069    
O          1.519038437       -0.9386016607         1.129228490    
H         0.8713073525       -0.4919178106         1.699780840    
H          1.653637850       -0.2738982792        0.4420122684    
O         -1.041755879       -0.6750750775        -1.717235083    
H        -0.6175085269        -1.504394643        -1.459061270    
H         -1.832455674       -0.6705919790        -1.166399223    
    18
Energy=    -45.8931653160770    
O         0.6748025450         1.165573413       -0.6381008056    
H         0.9813989256         1.847402229        -1.234375080    
H         0.6646447601E-01    0.6010460631        -1.151980199    
O        -0.2940482950E-01    -2.770178528       -0.1717895585E-01
H         0.6328389916        -2.187433201        0.4252756747    
H         0.3394546656        -3.652020942       -0.2442455155E-01
O         -2.352474871        -1.467103369        0.7634253735    
H         -3.072937354        -1.900173148         1.220573636    
H         -1.657410342        -2.135723777        0.6501835868    
O        -0.6785390948        0.6348478406         1.929029747    
H        -0.4052248044         1.130736975         1.149582744    
H         -1.382285421        0.5518493203E-01     1.611087138    
O          1.519456570       -0.9394235816         1.130375758    
H         0.8703411046       -0.4918103937         1.699318972    
H          1.655597766       -0.2751861505        0.4429662008    
O         -1.041444676       -0.6754365849        -1.717250131    
H        -0.6170687965        -1.504301011        -1.459041194    
H         -1.832334802       -0.6707269401        -1.166399735    
    18
Energy=    -45.9057900422413    
O         0.6770826617         1.164137047       -0.6415371893    
H         0.9542242174         1.868782057        -1.226978838    
H         0.7122981574E-01    0.5981246863        -1.156596640    
O        -0.3068491879E-01    -2.771917171       -0.1083115264E-01
H         0.6355050018        -2.191598145        0.4274714984    
H         0.3375538904        -3.653892041       -0.2603035109E-01
O         -2.353498637        -1.464690379        0.7644902151    
H         -3.075345311        -1.896737653         1.220302921    
H         -1.661752502        -2.135790263        0.6450227636    
O        -0.6683115371        0.6355618143         1.924940313    
H        -0.4009404237         1.125679013         1.139919690    
H         -1.379755358        0.5885790655E-01     1.616101330    
O          1.519545163       -0.9436640941         1.137675786    
H         0.8629915410       -0.4916536349         1.695423873    
H          1.668340130       -0.2821722943        0.4498809210    
O         -1.039483226       -0.6775257876        -1.719314567    
H        -0.6150925879        -1.505147402        -1.460149602    
H         -1.830377866       -0.6710798341        -1.166722794    
    18
Energy=    -45.9129441125934    
O         0.6794274153         1.163856942       -0.6443914662    
H         0.9484427289         1.871612957        -1.228091387    
H         0.7486030912E-01    0.5967196462        -1.159921710    
O        -0.3148485968E-01    -2.771853994       -0.8814868436E-02
H         0.6360412823        -2.191806254        0.4284312501    
H         0.3369818008        -3.653837392       -0.2645811585E-01
O         -2.353167811        -1.462523964        0.7660234167    
H         -3.076113740        -1.896197580         1.219067332    
H         -1.663349073        -2.135205942        0.6434665987    
O        -0.6651406164        0.6325588464         1.925645065    
H        -0.4041800559         1.128154914         1.140765415    
H         -1.378263791        0.5663891880E-01     1.621542508    
O          1.519437285       -0.9435147268         1.139300507    
H         0.8598971832       -0.4913951256         1.693880815    
H          1.670995749       -0.2830356543        0.4520531099    
O         -1.039553016       -0.6778277821        -1.720737866    
H        -0.6150327362        -1.506411674        -1.461226405    
H         -1.828567999       -0.6706583107        -1.167466023    
    18
Energy=    -45.9139535818497    
O         0.6792249028         1.163747003       -0.6440955229    
H         0.9478592702         1.871928535        -1.228190988    
H         0.7499173618E-01    0.5967771409        -1.160296074    
O        -0.3143006210E-01    -2.771953188       -0.9380825685E-02
H         0.6354337848        -2.191941519        0.4287704519    
H         0.3369760500        -3.654040579       -0.2639154509E-01
O         -2.353247053        -1.462273092        0.7658085076    
H         -3.075988713        -1.896204498         1.218939573    
H         -1.663390979        -2.135010116        0.6439829462    
O        -0.6655119302        0.6323354871         1.925462710    
H        -0.4035552764         1.128006131         1.140657271    
H         -1.378318555        0.5651580254E-01     1.621864420    
O          1.519340747       -0.9433745760         1.139544528    
H         0.8600491813       -0.4911409068         1.693694838    
H          1.671552588       -0.2831386069        0.4520917168    
O         -1.039313607       -0.6778909411        -1.720768282    
H        -0.6150543121        -1.506395126        -1.461164309    
H         -1.828387717       -0.6706731267        -1.167461237    
    18
Energy=    -45.9192846999635    
O         0.6769479920         1.166140218       -0.6435009547    
H         0.9378370223         1.878280612        -1.226319498    
H         0.7743208694E-01    0.5957295946        -1.161606038    
O        -0.3206095628E-01    -2.772441133       -0.1211280928E-01
H         0.6311636099        -2.193356390        0.4326903036    
H         0.3357409777        -3.654825262       -0.2597080074E-01
O         -2.353570689        -1.460107624        0.7659645679    
H         -3.077040098        -1.894651364         1.216519509    
H         -1.663467735        -2.132593275        0.6471026795    
O        -0.6617213003        0.6311130165         1.922994047    
H        -0.4050467385         1.128417444         1.137545196    
H         -1.375019797        0.5450116176E-01     1.623897686    
O          1.520305796       -0.9453796600         1.141393885    
H         0.8593087231       -0.4907772997         1.691508051    
H          1.678557975       -0.2855145161        0.4549859976    
O         -1.037567862       -0.6799595274        -1.722189452    
H        -0.6146971057        -1.508773425        -1.461650311    
H         -1.825871847       -0.6705287457        -1.168183882    
    18
Energy=    -45.9217312599797    
O         0.6753150538         1.167868314       -0.6440840589    
H         0.9283372783         1.885231610        -1.223847068    
H         0.7851517421E-01    0.5950630590        -1.162211165    
O        -0.3270509899E-01    -2.772914995       -0.1292249851E-01
H         0.6293182427        -2.194687091        0.4348173309    
H         0.3346571472        -3.655538955       -0.2563098028E-01
O         -2.353959878        -1.458682407        0.7656986001    
H         -3.078657758        -1.893020050         1.215295602    
H         -1.663206871        -2.131258444        0.6485813152    
O        -0.6591219760        0.6312235202         1.922026295    
H        -0.4042094371         1.126435746         1.134735610    
H         -1.373344358        0.5423215883E-01     1.624326826    
O          1.519940382       -0.9477585674         1.142505184    
H         0.8588853719       -0.4897036291         1.690116805    
H          1.685488451       -0.2885633518        0.4574330352    
O         -1.036141098       -0.6815716139        -1.723433159    
H        -0.6137540148        -1.510646124        -1.461713543    
H         -1.824126557       -0.6704353554        -1.168625953    
    18
Energy=    -45.9227679834146    
O         0.6745980551         1.168722962       -0.6442984275    
H         0.9257987283         1.887023000        -1.223370086    
H         0.7860254021E-01    0.5949417461        -1.162174820    
O        -0.3314303697E-01    -2.773033131       -0.1279717335E-01
H         0.6289005205        -2.194888930        0.4347861933    
H         0.3341867689        -3.655638295       -0.2537775536E-01
O         -2.353901314        -1.458241986        0.7658649325    
H         -3.079256559        -1.892352003         1.214648571    
H         -1.662974206        -2.130767658        0.6491055064    
O        -0.6586891760        0.6311312445         1.922127872    
H        -0.4041194099         1.125833784         1.134335785    
H         -1.372923022        0.5386220025E-01     1.624310868    
O          1.519741930       -0.9485428083         1.142701957    
H         0.8590578671       -0.4890155747         1.689792094    
H          1.687740767       -0.2897516246        0.4579540873    
O         -1.035516228       -0.6822735191        -1.723847922    
H        -0.6134481979        -1.511361994        -1.461782898    
H         -1.823425973       -0.6703735883        -1.168910607    
    18
Energy=    -45.9249107079738    
O         0.6728461852         1.170749963       -0.6445519440    
H         0.9195853834         1.891430274        -1.222519521    
H         0.7857694348E-01    0.5947712111        -1.162084979    
O        -0.3459010957E-01    -2.773388666       -0.1181583216E-01
H         0.6283742114        -2.195088426        0.4338939850    
H         0.3328737507        -3.655913626       -0.2467996697E-01
O         -2.353447982        -1.456986216        0.7665387648    
H         -3.080719791        -1.890617221         1.212862129    
H         -1.662598969        -2.129670898        0.6501983019    
O        -0.6579194868        0.6307070913         1.922375981    
H        -0.4038130356         1.124348387         1.133771817    
H         -1.372067676        0.5286341964E-01     1.624376450    
O          1.519239911       -0.9504110931         1.143346612    
H         0.8596082794       -0.4870345725         1.689012899    
H          1.693319055       -0.2929561135        0.4589811760    
O         -1.033821108       -0.6839954029        -1.724849393    
H        -0.6126720254        -1.513241667        -1.461999083    
H         -1.821543482       -0.6702926180        -1.169789220    
    18
Energy=    -45.9282280936166    
O         0.6686830160         1.175024541       -0.6429944180    
H         0.9111821273         1.896049277        -1.222944720    
H         0.7776530690E-01    0.5955105537        -1.160694751    
O        -0.3806749628E-01    -2.773831469       -0.9802143452E-02
H         0.6271278283        -2.194178984        0.4310606956    
H         0.3295860279        -3.656350342       -0.2231935540E-01
O         -2.351330412        -1.453314495        0.7689028043    
H         -3.082945461        -1.887311678         1.207918031    
H         -1.662370744        -2.127833657        0.6528654415    
O        -0.6576197979        0.6285928778         1.922826485    
H        -0.4055376028         1.124163182         1.135112463    
H         -1.370089993        0.4898759018E-01     1.625008770    
O          1.520673282       -0.9524767664         1.144431445    
H         0.8613250866       -0.4841179247         1.686442249    
H          1.701711669       -0.2981298622        0.4589925541    
O         -1.029757268       -0.6871866419        -1.726735233    
H        -0.6115516515        -1.517660168        -1.462764984    
H         -1.817553862       -0.6706622098        -1.172237157    
    18
Energy=    -45.9296583044175    
O         0.6675197636         1.175313402       -0.6416875952    
H         0.9122303220         1.894299216        -1.223259690    
H         0.7645859951E-01    0.5961476830        -1.159280962    
O        -0.3785608378E-01    -2.773719265       -0.9722067150E-02
H         0.6273497069        -2.194194122        0.4314554520    
H         0.3283933151        -3.656776237       -0.2060424405E-01
O         -2.350720528        -1.452488145        0.7692760264    
H         -3.082912859        -1.886210099         1.206748535    
H         -1.663148700        -2.128285312        0.6524590275    
O        -0.6578094860        0.6271636793         1.923008343    
H        -0.4054819160         1.125235843         1.136520598    
H         -1.370862285        0.4854125136E-01     1.625581748    
O          1.522487046       -0.9512183323         1.143509913    
H         0.8616202265       -0.4847836007         1.684521367    
H          1.700986515       -0.2971065195        0.4572697545    
O         -1.028637625       -0.6871445220        -1.726589403    
H        -0.6109866678        -1.517942049        -1.463071032    
H         -1.817399289       -0.6715590474        -1.173067592    
    18
Energy=    -45.9320893840097    
O         0.6635317545         1.177978129       -0.6395543971    
H         0.9057261582         1.897020330        -1.222006518    
H         0.7373047436E-01    0.5966840272        -1.156382568    
O        -0.3793879062E-01    -2.773951190       -0.7679452887E-02
H         0.6286707393        -2.195764771        0.4331804053    
H         0.3242728090        -3.658715269       -0.1462017290E-01
O         -2.350379750        -1.449788526        0.7682075674    
H         -3.085526102        -1.881220892         1.203054679    
H         -1.664957617        -2.127844560        0.6513732657    
O        -0.6554270713        0.6235399897         1.924903198    
H        -0.4043609145         1.124588110         1.139831379    
H         -1.371237885        0.4837757579E-01     1.627225616    
O          1.525239302       -0.9510399898         1.140135641    
H         0.8619606714       -0.4848798550         1.678578005    
H          1.705851575       -0.2971632792        0.4542187544    
O         -1.025440009       -0.6890036001        -1.727956470    
H        -0.6072299582        -1.519225321        -1.463615730    
H         -1.815255333       -0.6743170827        -1.175825023    
    18
Energy=    -45.9340055481774    
O         0.6585493543         1.181281358       -0.6373226843    
H         0.8962924358         1.902178782        -1.219389525    
H         0.7139583867E-01    0.5969586281        -1.153495578    
O        -0.3865886597E-01    -2.775308682       -0.4521064456E-02
H         0.6298693144        -2.197517404        0.4339224234    
H         0.3202157519        -3.661393150       -0.7843307133E-02
O         -2.351390774        -1.446839994        0.7652796155    
H         -3.088357148        -1.876197077         1.199006650    
H         -1.666860991        -2.126124992        0.6511019134    
O        -0.6519664829        0.6204077072         1.926622684    
H        -0.4022726877         1.123065661         1.142187553    
H         -1.370316037        0.4827529648E-01     1.628638150    
O          1.527578173       -0.9515571070         1.136660424    
H         0.8628661484       -0.4845050707         1.673071872    
H          1.711698364       -0.2983412965        0.4512758128    
O         -1.022240359       -0.6912924598        -1.729714359    
H        -0.6025188643        -1.520228694        -1.463882698    
H         -1.812653116       -0.6775876810        -1.178529705    
    18
Energy=    -45.9352446064724    
O         0.6551409517         1.183881816       -0.6356949281    
H         0.8925028103         1.903375099        -1.219158253    
H         0.7011271366E-01    0.5972645603        -1.151940527    
O        -0.3955166867E-01    -2.776257141       -0.1864331731E-02
H         0.6306728404        -2.198389594        0.4335552702    
H         0.3178839724        -3.662964380       -0.2259791902E-02
O         -2.352695053        -1.444936359        0.7624912537    
H         -3.090778646        -1.873041275         1.195919554    
H         -1.667339230        -2.124038103        0.6510527322    
O        -0.6498035945        0.6175070872         1.929177396    
H        -0.4026226151         1.123499032         1.146122637    
H         -1.368983834        0.4682043312E-01     1.630226707    
O          1.528816957       -0.9516039218         1.133086372    
H         0.8644143725       -0.4841449251         1.669710847    
H          1.713714769       -0.2980753412        0.4483178718    
O         -1.020186948       -0.6928185134        -1.731081441    
H        -0.5991537460        -1.520809076        -1.464227665    
H         -1.810913997       -0.6799955732        -1.180365527    
    18
Energy=    -45.9365121901943    
O         0.6530263720         1.185299424       -0.6350028664    
H         0.8893333186         1.905747601        -1.217922262    
H         0.6973434515E-01    0.5975171192        -1.151751312    
O        -0.4057645856E-01    -2.778141416        0.7411599401E-03
H         0.6306294694        -2.198823172        0.4325476534    
H         0.3173813043        -3.664646212        0.1750530406E-02
O         -2.355163865        -1.443740507        0.7586438729    
H         -3.091852019        -1.872213557         1.194023011    
H         -1.667821338        -2.121448568        0.6512461201    
O        -0.6477633933        0.6166697829         1.930413403    
H        -0.4018458946         1.123650591         1.147629942    
H         -1.366661714        0.4574504992E-01     1.631114456    
O          1.529216456       -0.9518005920         1.130828241    
H         0.8663723062       -0.4842187734         1.669381740    
H          1.713188029       -0.2980243350        0.4461487346    
O         -1.019011253       -0.6934157398        -1.731279894    
H        -0.5969631092        -1.520886267        -1.464518456    
H         -1.809992500       -0.6819966043        -1.180925896    
    18
Energy=    -45.9375357102375    
O         0.6520367678         1.186113017       -0.6348036816    
H         0.8872187660         1.908041128        -1.216603554    
H         0.6872578293E-01    0.5988990698        -1.152131937    
O        -0.4141784644E-01    -2.779969732        0.2773429303E-02
H         0.6299068761        -2.199321697        0.4328961450    
H         0.3171574679        -3.666225734        0.6059683517E-02
O         -2.356824222        -1.442602294        0.7557814216    
H         -3.092689921        -1.871756138         1.191818470    
H         -1.668589678        -2.119550463        0.6497743509    
O        -0.6462614991        0.6159082064         1.931402002    
H        -0.4003343013         1.123931304         1.149182621    
H         -1.364797226        0.4501135597E-01     1.631929620    
O          1.530402342       -0.9514967181         1.128603131    
H         0.8691057307       -0.4852096877         1.669948793    
H          1.710057827       -0.2969693949        0.4432739944    
O         -1.017245382       -0.6935448181        -1.730072757    
H        -0.5958542718        -1.521946306        -1.465613029    
H         -1.809367157       -0.6840372740        -1.181150525    
    18
Energy=    -45.9387318567019    
O         0.6504634466         1.189033991       -0.6349251424    
H         0.8811420425         1.913722636        -1.214835252    
H         0.6723925043E-01    0.6015226336        -1.152132203    
O        -0.4255012732E-01    -2.781497232        0.5562819021E-02
H         0.6284495565        -2.200197197        0.4350184649    
H         0.3145395819        -3.668363141        0.1348253060E-01
O         -2.356258823        -1.439992952        0.7546682971    
H         -3.094954007        -1.869054615         1.186056643    
H         -1.669973622        -2.118760816        0.6468675310    
O        -0.6441717509        0.6137896761         1.933752612    
H        -0.3981187961         1.123012287         1.152372495    
H         -1.363383055        0.4416096589E-01     1.633117536    
O          1.532646416       -0.9515425738         1.124830088    
H         0.8736522372       -0.4865907152         1.669925639    
H          1.707834858       -0.2964913880        0.4388243374    
O         -1.014663726       -0.6959126310        -1.730543476    
H        -0.5940653672        -1.525218567        -1.467615799    
H         -1.806598060       -0.6863465373        -1.181358942    
    18
Energy=    -45.9398026651068    
O         0.6478925242         1.189711453       -0.6349253587    
H         0.8785482683         1.915677254        -1.213297150    
H         0.6662015778E-01    0.6019388296        -1.153965018    
O        -0.4317380312E-01    -2.784623962        0.6236638923E-02
H         0.6277602180        -2.201765930        0.4336035980    
H         0.3120564868        -3.672117281        0.2208887716E-01
O         -2.351956681        -1.438729709        0.7547324518    
H         -3.097655123        -1.868558131         1.173035259    
H         -1.667091210        -2.119232895        0.6480782833    
O        -0.6419722053        0.6159874495         1.936849883    
H        -0.3973199586         1.122896756         1.153530135    
H         -1.362108975        0.4607315040E-01     1.639143891    
O          1.531661005       -0.9512268537         1.121382837    
H         0.8748380224       -0.4871531921         1.669797366    
H          1.703586167       -0.2952087797        0.4354535069    
O         -1.016409429       -0.6953725385        -1.731211643    
H        -0.5925489234        -1.525108221        -1.475478403    
H         -1.801496486       -0.6879135751        -1.171986976    
