    63
Energy=    -106.839321323050    
O         0.8063854300         1.288561057        -3.581139227    
H          1.357124005         1.000208530        -2.801632386    
H          1.419769804         1.555603588        -4.265848684    
O        -0.5618901735         3.084862074         2.172367302    
H         -1.472296955         2.821018684         1.956628764    
H        -0.1285477539         2.253753166         2.458904929    
O        -0.6117901796         3.225399426        -2.088070266    
H        -0.1130808703         2.641109254        -2.678428707    
H        -0.1629178659E-01     3.449645175        -1.347683059    
O         0.8799531580         3.818157170        0.1395244699    
H         0.3057812061         3.523569438        0.9080296109    
H         0.9933203415         4.762216718        0.2517152079    
O         -3.256438372       -0.4626955721         2.223119467    
H         -2.505225705       -0.7766946537         2.773008944    
H         -3.290238507        -1.053091674         1.454042166    
O         -2.051066127         1.373059040       -0.8845695587    
H         -1.634998866         2.134623615        -1.355589224    
H         -2.466071129         1.721797413       -0.7437620880E-01
O         -1.047509623        -1.276205436         3.529192904    
H        -0.4816730867       -0.5020665681         3.355280702    
H        -0.5552215131        -2.025935662         3.165487344    
O         0.6313076820        -3.148421669         2.269491088    
H          1.459597524        -2.679512814         1.982794740    
H         0.9131470024        -3.987638692         2.632726829    
O        -0.6717757390        -2.620772199       -0.2340133857E-01
H         -1.640801376        -2.589276467        0.7797160742E-01
H        -0.2934201084        -2.912910544        0.8274677966    
O          2.943183303        -2.095807048        -1.410408953    
H          2.088556527        -2.464982326        -1.773907412    
H          3.644590285        -2.652516596        -1.747243064    
O          2.123396809        0.4706772788        -1.488791204    
H          2.564204260       -0.3956146316        -1.535332270    
H          1.340049124        0.3165523491       -0.8974482860    
O        -0.7118636199       -0.9559569504        -3.715200245    
H        -0.9908667175        -1.039428065        -4.627595729    
H        -0.2351882640       -0.1021467174        -3.643389175    
O         -3.326472408        -2.178183944        0.5299294697E-02
H         -3.274313345        -1.639792343       -0.8334010658    
H         -4.091800598        -2.745576818       -0.8307294658E-01
O          3.264214531        0.6204133548         2.174536354    
H          3.973558955        0.8664077697         2.767199550    
H          3.269717593         1.288203381         1.431978202    
O         -3.038149824         2.037505342         1.534528530    
H         -3.870873603         2.439510240         1.780267780    
H         -3.092361629         1.085565116         1.841230318    
O          2.828698070        -2.005888507         1.381312331    
H          2.990162101        -1.089049260         1.660871749    
H          2.859213041        -2.008656296        0.4099653377    
O         0.1478839404E-01   -0.3289394960E-01   -0.1197760324E-01
H        -0.7696116834        0.4711476826       -0.3371807242    
H        -0.2276641898       -0.9838688596       -0.5181037347E-01
O         0.6625224154        -2.957383163        -2.344871551    
H         0.2155400393        -2.288603444        -2.888662199    
H         0.1430693412        -2.991574208        -1.519840381    
O          3.180028944         2.319872319        0.1886098245    
H          2.403768106         2.907778865        0.2466436389    
H          2.949594888         1.692213250       -0.5212895076    
O         0.5608548458        0.6727988354         2.516756062    
H          1.529872021        0.6455571688         2.572358564    
H         0.3524245077        0.4042846204         1.594404204    
O         -3.052599111       -0.7485354643        -2.170243472    
H         -2.829159810        0.1077413010        -1.753457169    
H         -2.262620477       -0.9773750796        -2.684344139    
    63
Energy=    -106.839321322410    
O         0.8063805179         1.288574663        -3.581126828    
H          1.357116839         1.000224859        -2.801621537    
H          1.419764298         1.555615531        -4.265837176    
O        -0.5618934986         3.084865105         2.172363026    
H         -1.472301442         2.821021589         1.956615613    
H        -0.1285526880         2.253757125         2.458905370    
O        -0.6117990549         3.225419938        -2.088086882    
H        -0.1130936199         2.641121741        -2.678440947    
H        -0.1629963996E-01     3.449657716        -1.347697670    
O         0.8799478490         3.818146040        0.1395119790    
H         0.3057797842         3.523567922        0.9080230065    
H         0.9933290804         4.762204420        0.2517049433    
O         -3.256416286       -0.4626963519         2.223105791    
H         -2.505205833       -0.7766860771         2.773005558    
H         -3.290210414        -1.053102384         1.454041943    
O         -2.051073090         1.373071568       -0.8845988112    
H         -1.635010034         2.134638939        -1.355616646    
H         -2.466072941         1.721814050       -0.7440415216E-01
O         -1.047499654        -1.276210081         3.529208616    
H        -0.4816706282       -0.5020654288         3.355298065    
H        -0.5552012745        -2.025933511         3.165501033    
O         0.6313282264        -3.148414680         2.269495495    
H          1.459624199        -2.679517991         1.982797067    
H         0.9131537953        -3.987659098         2.632676651    
O        -0.6717701977        -2.620761775       -0.2338921108E-01
H         -1.640792259        -2.589275480        0.7797981944E-01
H        -0.2934098476        -2.912896799        0.8274853081    
O          2.943184317        -2.095807582        -1.410408588    
H          2.088555806        -2.464984008        -1.773902703    
H          3.644591639        -2.652522024        -1.747237378    
O          2.123385835        0.4706604897        -1.488782772    
H          2.564192473       -0.3956313868        -1.535312729    
H          1.340039745        0.3165496295       -0.8974352382    
O        -0.7118661159       -0.9559524937        -3.715203680    
H        -0.9908711415        -1.039413525        -4.627600098    
H        -0.2351988340       -0.1021362616        -3.643385091    
O         -3.326463953        -2.178185686        0.5302621977E-02
H         -3.274307496        -1.639795800       -0.8334001145    
H         -4.091793701        -2.745578471       -0.8305880172E-01
O          3.264211808        0.6203957277         2.174542925    
H          3.973537979        0.8664071866         2.767221885    
H          3.269725496         1.288185067         1.431984741    
O         -3.038150257         2.037506178         1.534506953    
H         -3.870863092         2.439517003         1.780271517    
H         -3.092358241         1.085564126         1.841204041    
O          2.828717895        -2.005910433         1.381305951    
H          2.990189250        -1.089074950         1.660879480    
H          2.859222350        -2.008672691        0.4099606155    
O         0.1476072637E-01   -0.3288223761E-01   -0.1196958490E-01
H        -0.7696349557        0.4711618415       -0.3371897172    
H        -0.2276932007       -0.9838560347       -0.5179697062E-01
O         0.6625189318        -2.957376758        -2.344859911    
H         0.2155446603        -2.288594205        -2.888654077    
H         0.1430645341        -2.991565238        -1.519828891    
O          3.180025606         2.319856142        0.1886227252    
H          2.403767417         2.907765567        0.2466501728    
H          2.949596587         1.692199876       -0.5212800320    
O         0.5608505360        0.6728000608         2.516762029    
H          1.529865892        0.6455475219         2.572354710    
H         0.3524087258        0.4042915735         1.594412227    
O         -3.052602337       -0.7485467365        -2.170248110    
H         -2.829174008        0.1077362971        -1.753472117    
H         -2.262621963       -0.9773817145        -2.684345935    
    63
Energy=    -106.839321321930    
O         0.8063628278         1.288621674        -3.581072230    
H          1.357102169         1.000256845        -2.801573473    
H          1.419746770         1.555610756        -4.265802429    
O        -0.5618948914         3.084856521         2.172347539    
H         -1.472301016         2.821023308         1.956596318    
H        -0.1285637950         2.253750220         2.458910442    
O        -0.6118309046         3.225472838        -2.088125574    
H        -0.1131476135         2.641151727        -2.678477352    
H        -0.1632914519E-01     3.449686346        -1.347730977    
O         0.8799314926         3.818117554        0.1394795486    
H         0.3057754104         3.523556483        0.9080031239    
H         0.9932964134         4.762177364        0.2516755634    
O         -3.256397744       -0.4627022593         2.223092126    
H         -2.505193028       -0.7766708439         2.773006207    
H         -3.290171518        -1.053121044         1.454030690    
O         -2.051075436         1.373098215       -0.8846462450    
H         -1.635020912         2.134668385        -1.355669477    
H         -2.466070498         1.721830561       -0.7444654807E-01
O         -1.047496651        -1.276209059         3.529235463    
H        -0.4816840359       -0.5020526564         3.355330284    
H        -0.5551766230        -2.025916739         3.165528691    
O         0.6313504088        -3.148392810         2.269504529    
H          1.459661280        -2.679528507         1.982796780    
H         0.9131642952        -3.987677161         2.632602151    
O        -0.6717583487        -2.620759986       -0.2337414004E-01
H         -1.640791107        -2.589282542        0.7797530618E-01
H        -0.2933852566        -2.912877312        0.8274974620    
O          2.943191908        -2.095836381        -1.410410997    
H          2.088558045        -2.464993732        -1.773910969    
H          3.644602500        -2.652545564        -1.747238169    
O          2.123375234        0.4706230038        -1.488757015    
H          2.564166943       -0.3956776810        -1.535278413    
H          1.340035278        0.3165285906       -0.8974004065    
O        -0.7118566351       -0.9559272285        -3.715189696    
H        -0.9908794965        -1.039387571        -4.627581409    
H        -0.2352149080       -0.1020994420        -3.643365292    
O         -3.326459766        -2.178177054        0.5312959043E-02
H         -3.274287288        -1.639801023       -0.8333964804    
H         -4.091785906        -2.745573110       -0.8304821824E-01
O          3.264222734        0.6203781874         2.174557797    
H          3.973526255        0.8664005009         2.767257308    
H          3.269738063         1.288167912         1.431999811    
O         -3.038150896         2.037503616         1.534472153    
H         -3.870849048         2.439527377         1.780268963    
H         -3.092356779         1.085555997         1.841158438    
O          2.828758332        -2.005942898         1.381300739    
H          2.990227927        -1.089111002         1.660876664    
H          2.859242193        -2.008681009        0.4099515922    
O         0.1472589743E-01   -0.3287186376E-01   -0.1196075024E-01
H        -0.7696556301        0.4711782480       -0.3371989920    
H        -0.2277379408       -0.9838434490       -0.5177582335E-01
O         0.6625135343        -2.957358161        -2.344851446    
H         0.2155581370        -2.288561411        -2.888643002    
H         0.1430575072        -2.991546472        -1.519820796    
O          3.180046128         2.319831848        0.1886252119    
H          2.403785751         2.907739131        0.2466404503    
H          2.949611036         1.692163025       -0.5212687290    
O         0.5608496806        0.6727953367         2.516775835    
H          1.529864208        0.6455409617         2.572359909    
H         0.3523930780        0.4042864510         1.594426260    
O         -3.052603943       -0.7485559567        -2.170263089    
H         -2.829200119        0.1077327804        -1.753482240    
H         -2.262603454       -0.9773922336        -2.684326455    
    63
Energy=    -106.839321322000    
O         0.8063492854         1.288642994        -3.581056672    
H          1.357088586         1.000272044        -2.801557565    
H          1.419732817         1.555630856        -4.265788621    
O        -0.5619018486         3.084856736         2.172346130    
H         -1.472302322         2.821024881         1.956574407    
H        -0.1285784750         2.253749288         2.458917081    
O        -0.6118342489         3.225498146        -2.088133645    
H        -0.1131515938         2.641177860        -2.678486270    
H        -0.1633312297E-01     3.449702095        -1.347733612    
O         0.8799374309         3.818116814        0.1394909187    
H         0.3057710299         3.523543036        0.9080037523    
H         0.9932730109         4.762180611        0.2516731658    
O         -3.256356118       -0.4626945080         2.223080832    
H         -2.505162352       -0.7766647168         2.773011404    
H         -3.290134142        -1.053124719         1.454030927    
O         -2.051095023         1.373115582       -0.8847024004    
H         -1.635030676         2.134689648        -1.355711404    
H         -2.466088182         1.721841731       -0.7449844505E-01
O         -1.047473771        -1.276198597         3.529269956    
H        -0.4816700351       -0.5020396652         3.355347253    
H        -0.5551468703        -2.025910940         3.165586139    
O         0.6313772683        -3.148398649         2.269515094    
H          1.459694338        -2.679547748         1.982802911    
H         0.9131694053        -3.987717956         2.632555166    
O        -0.6717502481        -2.620750768       -0.2335595680E-01
H         -1.640779381        -2.589295406        0.7799684551E-01
H        -0.2933707081        -2.912854105        0.8275232578    
O          2.943192398        -2.095855581        -1.410403659    
H          2.088561194        -2.465006339        -1.773917405    
H          3.644603014        -2.652565243        -1.747227561    
O          2.123352299        0.4706159729        -1.488741414    
H          2.564137986       -0.3956870402        -1.535274204    
H          1.340003565        0.3165223212       -0.8973945307    
O        -0.7118482179       -0.9559085873        -3.715189187    
H        -0.9908764786        -1.039379454        -4.627579240    
H        -0.2352167300       -0.1020748249        -3.643371329    
O         -3.326458556        -2.178186514        0.5315758628E-02
H         -3.274282189        -1.639815860       -0.8333972920    
H         -4.091788353        -2.745575114       -0.8304939387E-01
O          3.264217216        0.6203579153         2.174570751    
H          3.973494136        0.8663982535         2.767293002    
H          3.269731959         1.288147820         1.432012639    
O         -3.038148349         2.037514948         1.534438105    
H         -3.870839933         2.439533511         1.780268789    
H         -3.092339714         1.085569759         1.841125334    
O          2.828807923        -2.005976911         1.381305792    
H          2.990256459        -1.089144306         1.660886024    
H          2.859260943        -2.008697268        0.4099530787    
O         0.1469714635E-01   -0.3285246290E-01   -0.1196351271E-01
H        -0.7696745743        0.4711970495       -0.3372196003    
H        -0.2277654214       -0.9838261093       -0.5176894280E-01
O         0.6625001900        -2.957348552        -2.344849359    
H         0.2155443868        -2.288546919        -2.888641827    
H         0.1430548433        -2.991518769        -1.519814404    
O          3.180050478         2.319806510        0.1886223566    
H          2.403796609         2.907719870        0.2466432106    
H          2.949602600         1.692133156       -0.5212648448    
O         0.5608405626        0.6727973173         2.516768595    
H          1.529859730        0.6455395434         2.572353176    
H         0.3523817331        0.4042865605         1.594422858    
O         -3.052609823       -0.7485764788        -2.170272214    
H         -2.829222402        0.1077212980        -1.753504176    
H         -2.262599580       -0.9774064156        -2.684326540    
    63
Energy=    -106.839321318000    
O         0.8062948776         1.288646912        -3.581086443    
H          1.357019023         1.000247564        -2.801581625    
H          1.419689689         1.555653283        -4.265798780    
O        -0.5619377278         3.084875728         2.172366545    
H         -1.472317481         2.821033868         1.956505044    
H        -0.1286269945         2.253765746         2.458939086    
O        -0.6117591802         3.225564043        -2.088116277    
H        -0.1130601336         2.641250825        -2.678461777    
H        -0.1628822409E-01     3.449735426        -1.347683869    
O         0.8799647614         3.818149304        0.1395543550    
H         0.3057985547         3.523551027        0.9080577978    
H         0.9932495754         4.762218893        0.2517509732    
O         -3.256211076       -0.4626447629         2.223058928    
H         -2.505055262       -0.7766490633         2.773020056    
H         -3.290039161        -1.053108670         1.454037272    
O         -2.051165641         1.373143585       -0.8848539773    
H         -1.635062320         2.134717767        -1.355824468    
H         -2.466197882         1.721861467       -0.7466898551E-01
O         -1.047381300        -1.276156455         3.529386728    
H        -0.4815876424       -0.5020069268         3.355367168    
H        -0.5550451223        -2.025904813         3.165801920    
O         0.6314677277        -3.148447471         2.269540279    
H          1.459811772        -2.679635309         1.982839890    
H         0.9132043825        -3.987872801         2.632381878    
O        -0.6717256469        -2.620687177       -0.2325783402E-01
H         -1.640756862        -2.589324376        0.7809163472E-01
H        -0.2933188435        -2.912756522        0.8276236443    
O          2.943194237        -2.095847925        -1.410414179    
H          2.088578103        -2.465027982        -1.773926054    
H          3.644616865        -2.652596517        -1.747154635    
O          2.123237435        0.4706436642        -1.488755979    
H          2.564043953       -0.3956436890        -1.535287721    
H          1.339880288        0.3165423143       -0.8974144154    
O        -0.7118646567       -0.9558973927        -3.715234144    
H        -0.9908541117        -1.039385505        -4.627632681    
H        -0.2352088791       -0.1020742863        -3.643421310    
O         -3.326455337        -2.178250156        0.5298712141E-02
H         -3.274275506        -1.639873314       -0.8334084813    
H         -4.091814129        -2.745597868       -0.8306559639E-01
O          3.264150500        0.6202893296         2.174608974    
H          3.973350010        0.8663904747         2.767398913    
H          3.269693623         1.288068139         1.432037559    
O         -3.038148661         2.037565177         1.534329866    
H         -3.870803416         2.439572380         1.780298103    
H         -3.092259839         1.085636351         1.841061021    
O          2.828940783        -2.006086400         1.381320511    
H          2.990362040        -1.089256278         1.660924996    
H          2.859349225        -2.008769450        0.4099659943    
O         0.1460826511E-01   -0.3278149297E-01   -0.1198183949E-01
H        -0.7697491336        0.4712508702       -0.3372918499    
H        -0.2278435384       -0.9837603585       -0.5176674643E-01
O         0.6624606754        -2.957314859        -2.344839486    
H         0.2154801581        -2.288556108        -2.888658476    
H         0.1430492111        -2.991436562        -1.519778195    
O          3.180032651         2.319725889        0.1886592015    
H          2.403816905         2.907682847        0.2466932047    
H          2.949539563         1.692075412       -0.5212351787    
O         0.5608131499        0.6728180726         2.516750940    
H          1.529832959        0.6455377000         2.572317798    
H         0.3523329658        0.4043207613         1.594405101    
O         -3.052630176       -0.7486508758        -2.170299936    
H         -2.829280937        0.1076838480        -1.753600933    
H         -2.262628003       -0.9774597031        -2.684382737    
    63
Energy=    -106.839321318050    
O         0.8062934362         1.288667785        -3.581101238    
H          1.357001157         1.000253786        -2.801593658    
H          1.419708166         1.555679004        -4.265794639    
O        -0.5619426576         3.084882293         2.172352375    
H         -1.472320531         2.821037719         1.956489543    
H        -0.1286311159         2.253775125         2.458933977    
O        -0.6117588292         3.225568798        -2.088117744    
H        -0.1130539944         2.641263238        -2.678466629    
H        -0.1628835517E-01     3.449739824        -1.347683579    
O         0.8799687901         3.818147299        0.1395540332    
H         0.3057982541         3.523543711        0.9080537540    
H         0.9932564722         4.762215978        0.2517474043    
O         -3.256171422       -0.4626329601         2.223058078    
H         -2.505016763       -0.7766430712         2.773017444    
H         -3.290015755        -1.053098791         1.454039553    
O         -2.051194014         1.373147677       -0.8848786718    
H         -1.635074231         2.134717210        -1.355844206    
H         -2.466233014         1.721869948       -0.7470068909E-01
O         -1.047351940        -1.276157393         3.529411152    
H        -0.4815559564       -0.5020126067         3.355373934    
H        -0.5550182593        -2.025915913         3.165844846    
O         0.6314863031        -3.148465947         2.269559050    
H          1.459831098        -2.679659290         1.982854501    
H         0.9132091141        -3.987911184         2.632361744    
O        -0.6717183907        -2.620671559       -0.2324323915E-01
H         -1.640748892        -2.589323562        0.7811075521E-01
H        -0.2933061758        -2.912742643        0.8276350885    
O          2.943187098        -2.095846170        -1.410409798    
H          2.088571872        -2.465018259        -1.773929919    
H          3.644608414        -2.652602251        -1.747134124    
O          2.123230262        0.4706406850        -1.488763780    
H          2.564021402       -0.3956558681        -1.535293021    
H          1.339866774        0.3165535978       -0.8974282230    
O        -0.7118580760       -0.9558912337        -3.715243800    
H        -0.9908407135        -1.039358748        -4.627646508    
H        -0.2352046112       -0.1020691951        -3.643410636    
O         -3.326465253        -2.178265065        0.5301932692E-02
H         -3.274270250        -1.639900315       -0.8334095707    
H         -4.091825021        -2.745614568       -0.8307419380E-01
O          3.264135868        0.6202694457         2.174613658    
H          3.973310544        0.8663894890         2.767425553    
H          3.269678153         1.288050549         1.432043554    
O         -3.038147051         2.037580462         1.534311994    
H         -3.870802572         2.439574403         1.780304751    
H         -3.092230496         1.085654461         1.841057163    
O          2.828963324        -2.006109073         1.381332053    
H          2.990374219        -1.089277100         1.660935191    
H          2.859380228        -2.008790024        0.4099771769    
O         0.1459002056E-01   -0.3276178994E-01   -0.1198920672E-01
H        -0.7697739457        0.4712626714       -0.3373005903    
H        -0.2278530965       -0.9837416641       -0.5177025796E-01
O         0.6624476394        -2.957311995        -2.344833630    
H         0.2154682671        -2.288557192        -2.888660232    
H         0.1430324704        -2.991428368        -1.519775753    
O          3.180022190         2.319708677        0.1886777193    
H          2.403815427         2.907680975        0.2466987274    
H          2.949530784         1.692060406       -0.5212186248    
O         0.5608078586        0.6728274718         2.516750158    
H          1.529828341        0.6455333782         2.572312569    
H         0.3523192842        0.4043428200         1.594403661    
O         -3.052636869       -0.7486600472        -2.170312569    
H         -2.829289049        0.1076750486        -1.753609611    
H         -2.262634826       -0.9774624871        -2.684395269    
    63
Energy=    -106.839321314000    
O         0.8063731101         1.288791222        -3.581131960    
H          1.357042679         1.000380962        -2.801599058    
H          1.419822394         1.555883747        -4.265760623    
O        -0.5619398992         3.084931751         2.172263000    
H         -1.472320459         2.821064430         1.956419152    
H        -0.1286330394         2.253838191         2.458881957    
O        -0.6118319975         3.225540059        -2.088135313    
H        -0.1131381679         2.641279632        -2.678544260    
H        -0.1632944744E-01     3.449712052        -1.347727043    
O         0.8799903062         3.818093568        0.1394594197    
H         0.3057710949         3.523527112        0.9079381489    
H         0.9933065547         4.762157063        0.2516566902    
O         -3.255970005       -0.4625793662         2.223047739    
H         -2.504826278       -0.7766268161         2.773003171    
H         -3.289910645        -1.053085185         1.454067831    
O         -2.051307349         1.373188439       -0.8849496866    
H         -1.635132325         2.134738545        -1.355914688    
H         -2.466343982         1.721949970       -0.7479492482E-01
O         -1.047225830        -1.276208318         3.529474314    
H        -0.4814148878       -0.5020774351         3.355417221    
H        -0.5548999558        -2.025996377         3.165959759    
O         0.6315357161        -3.148553608         2.269613784    
H          1.459894629        -2.679756729         1.982938476    
H         0.9132302574        -3.988045566         2.632325354    
O        -0.6716889635        -2.620626068       -0.2318423673E-01
H         -1.640715831        -2.589314781        0.7817985907E-01
H        -0.2932527163        -2.912718343        0.8276774583    
O          2.943125050        -2.095870367        -1.410348950    
H          2.088508527        -2.464999551        -1.773907871    
H          3.644535732        -2.652639182        -1.747081906    
O          2.123215671        0.4706213318        -1.488787748    
H          2.563974027       -0.3956954850        -1.535291318    
H          1.339845349        0.3165853708       -0.8974563902    
O        -0.7118093524       -0.9558185499        -3.715284814    
H        -0.9907814503        -1.039179224        -4.627700212    
H        -0.2351926845       -0.1019915545        -3.643362676    
O         -3.326495168        -2.178327563        0.5303158700E-02
H         -3.274309377        -1.639969929       -0.8334092581    
H         -4.091842697        -2.745692869       -0.8308566898E-01
O          3.264080411        0.6201770909         2.174649555    
H          3.973151553        0.8663839390         2.767547381    
H          3.269618372         1.287968380         1.432088585    
O         -3.038136416         2.037639723         1.534303581    
H         -3.870817001         2.439560892         1.780334401    
H         -3.092140545         1.085707334         1.841031197    
O          2.829046011        -2.006208614         1.381392971    
H          2.990386892        -1.089363255         1.660990780    
H          2.859454189        -2.008874027        0.4100368454    
O         0.1451777336E-01   -0.3265089019E-01   -0.1199841370E-01
H        -0.7698834956        0.4713194097       -0.3373118645    
H        -0.2278676760       -0.9836425110       -0.5176236408E-01
O         0.6623983228        -2.957326238        -2.344819525    
H         0.2154378249        -2.288575519        -2.888663558    
H         0.1429908712        -2.991414386        -1.519754848    
O          3.179973671         2.319650112        0.1887269870    
H          2.403767148         2.907634099        0.2467051010    
H          2.949498112         1.692003665       -0.5211728642    
O         0.5607800111        0.6728798650         2.516742268    
H          1.529801080        0.6454941175         2.572293121    
H         0.3522622256        0.4044452071         1.594387982    
O         -3.052647422       -0.7487237728        -2.170313078    
H         -2.829337130        0.1076292436        -1.753622664    
H         -2.262682266       -0.9774668424        -2.684469984    
    63
Energy=    -106.839321306850    
O         0.8064294416         1.288763383        -3.581287045    
H          1.357112146         1.000442257        -2.801730123    
H          1.419817117         1.555790321        -4.265999428    
O        -0.5619434379         3.085022247         2.172333888    
H         -1.472324603         2.821197418         1.956444651    
H        -0.1286439314         2.253928642         2.458980325    
O        -0.6117767813         3.225582559        -2.088140966    
H        -0.1130857748         2.641345901        -2.678565447    
H        -0.1629431866E-01     3.449624960        -1.347678122    
O         0.8800086007         3.818007521        0.1394929178    
H         0.3057394479         3.523525639        0.9079676007    
H         0.9935310618         4.762039810        0.2517310311    
O         -3.255618571       -0.4625324400         2.222968427    
H         -2.504469641       -0.7765877219         2.772907019    
H         -3.289639947        -1.053106455         1.454047078    
O         -2.051482166         1.373281518       -0.8850621924    
H         -1.635249276         2.134803313        -1.356001560    
H         -2.466434118         1.722106221       -0.7488125968E-01
O         -1.047011147        -1.276367369         3.529523459    
H        -0.4812184252       -0.5022328350         3.355419956    
H        -0.5547170503        -2.026151635         3.165949046    
O         0.6316191918        -3.148691004         2.269632528    
H          1.460005788        -2.679901260         1.983002959    
H         0.9132829826        -3.988198910         2.632330637    
O        -0.6716222377        -2.620459739       -0.2310055976E-01
H         -1.640656196        -2.589227482        0.7822073170E-01
H        -0.2931973287        -2.912646182        0.8277314710    
O          2.943000302        -2.095742768        -1.410275675    
H          2.088395878        -2.464959517        -1.773765281    
H          3.644423093        -2.652443119        -1.747097743    
O          2.123114832        0.4707684844        -1.488793540    
H          2.563865960       -0.3955492568        -1.535280294    
H          1.339693864        0.3167405732       -0.8975221381    
O        -0.7118517120       -0.9558359222        -3.715335729    
H        -0.9907665494        -1.039143563        -4.627774175    
H        -0.2351848164       -0.1020387417        -3.643385762    
O         -3.326475742        -2.178352014        0.5321136574E-02
H         -3.274335746        -1.640033985       -0.8334107322    
H         -4.091779204        -2.745782706       -0.8303585684E-01
O          3.263986557        0.6200910649         2.174717981    
H          3.972911535        0.8664251142         2.767740092    
H          3.269598572         1.287851693         1.432122517    
O         -3.038136085         2.037756144         1.534212281    
H         -3.870858087         2.439562600         1.780273000    
H         -3.091994102         1.085820203         1.840941697    
O          2.829084823        -2.006337382         1.381469226    
H          2.990412726        -1.089507351         1.661134060    
H          2.859383938        -2.008937227        0.4101137108    
O         0.1436535532E-01   -0.3244301328E-01   -0.1203168125E-01
H        -0.7700669029        0.4714623528       -0.3373751530    
H        -0.2279646919       -0.9834531527       -0.5169490047E-01
O         0.6623550128        -2.957439346        -2.344763914    
H         0.2153885446        -2.288736404        -2.888657766    
H         0.1429851842        -2.991431968        -1.519669092    
O          3.179910719         2.319527449        0.1888173095    
H          2.403703488         2.907505278        0.2468449851    
H          2.949440181         1.691979317       -0.5211710977    
O         0.5606997179        0.6728840777         2.516735285    
H          1.529727174        0.6454431511         2.572230847    
H         0.3521325950        0.4045922645         1.594353334    
O         -3.052714393       -0.7488038348        -2.170425322    
H         -2.829364536        0.1075343499        -1.753733887    
H         -2.262737209       -0.9775739200        -2.684555261    
    63
Energy=    -106.839321297580    
O         0.8064528526         1.288758836        -3.581451247    
H          1.357150547         1.000435727        -2.801908649    
H          1.419847393         1.555809168        -4.266143781    
O        -0.5619288158         3.085130431         2.172403207    
H         -1.472306343         2.821338290         1.956470477    
H        -0.1287128099         2.253996814         2.459049220    
O        -0.6117672216         3.225548055        -2.088251704    
H        -0.1130192264         2.641322753        -2.678637313    
H        -0.1636077477E-01     3.449641258        -1.347737684    
O         0.8800093099         3.817901938        0.1394769017    
H         0.3057273627         3.523533000        0.9079873903    
H         0.9937491060         4.761911437        0.2516868319    
O         -3.255242279       -0.4624803985         2.222871773    
H         -2.504145295       -0.7766014558         2.772853673    
H         -3.289350138        -1.053108211         1.453996752    
O         -2.051655128         1.373341967       -0.8851484195    
H         -1.635426083         2.134841934        -1.356127134    
H         -2.466544126         1.722143764       -0.7492674113E-01
O         -1.046810818        -1.276539071         3.529516176    
H        -0.4810542372       -0.5023690170         3.355419541    
H        -0.5545242149        -2.026292073         3.165864325    
O         0.6316732995        -3.148882296         2.269607216    
H          1.460069668        -2.680089383         1.983000682    
H         0.9133196563        -3.988347082         2.632410157    
O        -0.6715827478        -2.620289453       -0.2305210124E-01
H         -1.640622325        -2.589108255        0.7826131790E-01
H        -0.2931670091        -2.912580579        0.8277469496    
O          2.942839484        -2.095663358        -1.410155632    
H          2.088259695        -2.464922848        -1.773660017    
H          3.644320980        -2.652208087        -1.747114677    
O          2.123035437        0.4708474514        -1.488843921    
H          2.563726824       -0.3955177089        -1.535208469    
H          1.339582073        0.3169285680       -0.8975920982    
O        -0.7117713506       -0.9558260647        -3.715327606    
H        -0.9907538043        -1.039100720        -4.627748798    
H        -0.2351148265       -0.1020299113        -3.643389224    
O         -3.326371467        -2.178382169        0.5313533300E-02
H         -3.274292554        -1.640103564       -0.8334534898    
H         -4.091663016        -2.745842984       -0.8294560877E-01
O          3.263918206        0.6200070923         2.174793497    
H          3.972703442        0.8664609822         2.767925553    
H          3.269544569         1.287751006         1.432179896    
O         -3.038123361         2.037853539         1.534189521    
H         -3.870913325         2.439528671         1.780228968    
H         -3.091843232         1.085904255         1.840893018    
O          2.829116384        -2.006457802         1.381566905    
H          2.990430846        -1.089636166         1.661262967    
H          2.859288059        -2.008962220        0.4102029676    
O         0.1425255100E-01   -0.3226371605E-01   -0.1206142449E-01
H        -0.7701820135        0.4716068897       -0.3374486019    
H        -0.2280770577       -0.9832739756       -0.5166154752E-01
O         0.6622413898        -2.957481276        -2.344706976    
H         0.2153154861        -2.288771142        -2.888626438    
H         0.1428574482        -2.991434325        -1.519613598    
O          3.179921908         2.319464905        0.1889223913    
H          2.403656548         2.907373599        0.2469672253    
H          2.949485152         1.691923614       -0.5210824578    
O         0.5606160441        0.6729321573         2.516727796    
H          1.529647334        0.6454382519         2.572188902    
H         0.3519923840        0.4046686632         1.594345484    
O         -3.052712682       -0.7488934602        -2.170434915    
H         -2.829478043        0.1075011249        -1.753802341    
H         -2.262724013       -0.9776297670        -2.684559121    
    63
Energy=    -106.839321280370    
O         0.8065568102         1.288931112        -3.581591660    
H          1.357189192         1.000579188        -2.802016365    
H          1.420011709         1.556022957        -4.266232801    
O        -0.5619438437         3.085315290         2.172415494    
H         -1.472351846         2.821599964         1.956508679    
H        -0.1287837575         2.254143192         2.459027605    
O        -0.6118511729         3.225363584        -2.088381981    
H        -0.1131625867         2.641124327        -2.678816611    
H        -0.1635716712E-01     3.449423152        -1.347945577    
O         0.8800449549         3.817827258        0.1393875923    
H         0.3058149986         3.523604218        0.9079884830    
H         0.9938276169         4.761848709        0.2514417504    
O         -3.254768925       -0.4624438319         2.222807996    
H         -2.503734121       -0.7767098845         2.772792767    
H         -3.288903970        -1.052987972         1.453873466    
O         -2.051935708         1.373372741       -0.8853223063    
H         -1.635611130         2.134838758        -1.356272559    
H         -2.466740588         1.722194291       -0.7506810868E-01
O         -1.046497231        -1.276785102         3.529465012    
H        -0.4808152769       -0.5025575517         3.355389449    
H        -0.5541958207        -2.026492607         3.165731238    
O         0.6317225025        -3.149262315         2.269517210    
H          1.460142166        -2.680471423         1.982970606    
H         0.9133386367        -3.988625048         2.632586403    
O        -0.6715172402        -2.620044762       -0.2296956636E-01
H         -1.640560736        -2.588962068        0.7834284730E-01
H        -0.2930858538        -2.912540655        0.8277430956    
O          2.942494091        -2.095644779        -1.409993774    
H          2.087969927        -2.465007319        -1.773562427    
H          3.644111381        -2.651890007        -1.747159959    
O          2.122989872        0.4709010772        -1.488922829    
H          2.563531133       -0.3955573592        -1.535142621    
H          1.339491303        0.3171671771       -0.8976852954    
O        -0.7117024781       -0.9556995499        -3.715298832    
H        -0.9907548978        -1.039195838        -4.627679370    
H        -0.2349729314       -0.1019180781        -3.643580291    
O         -3.326254090        -2.178445025        0.5341300310E-02
H         -3.274252897        -1.640200044       -0.8334494299    
H         -4.091513173        -2.745961332       -0.8282054262E-01
O          3.263756461        0.6198830420         2.175006283    
H          3.972443019        0.8664205525         2.768232261    
H          3.269439277         1.287596503         1.432365828    
O         -3.038074042         2.037953704         1.534205935    
H         -3.870960415         2.439411343         1.780292342    
H         -3.091548999         1.085998728         1.840921824    
O          2.829151748        -2.006590012         1.381775568    
H          2.990402897        -1.089765475         1.661501545    
H          2.859223401        -2.009059887        0.4104113246    
O         0.1416386084E-01   -0.3196029493E-01   -0.1215279165E-01
H        -0.7703112906        0.4718341318       -0.3375546349    
H        -0.2280601650       -0.9830030190       -0.5176399452E-01
O         0.6620315877        -2.957475775        -2.344636200    
H         0.2152287604        -2.288678421        -2.888545042    
H         0.1426684410        -2.991282015        -1.519516622    
O          3.179904072         2.319299959        0.1891027238    
H          2.403658969         2.907253484        0.2470312274    
H          2.949569315         1.691821110       -0.5209887609    
O         0.5604493867        0.6730251127         2.516691907    
H          1.529477538        0.6454902505         2.572168674    
H         0.3518324063        0.4048381330         1.594286981    
O         -3.052675825       -0.7490039580        -2.170449400    
H         -2.829675553        0.1074643246        -1.753849627    
H         -2.262552599       -0.9775683655        -2.684445956    
    63
Energy=    -106.839321250310    
O         0.8066322356         1.288795363        -3.581706659    
H          1.357247265         1.000492436        -2.802086688    
H          1.420108495         1.555927768        -4.266287021    
O        -0.5619019055         3.085623914         2.172434791    
H         -1.472319144         2.821931090         1.956563669    
H        -0.1288333137         2.254449867         2.459172959    
O        -0.6119132351         3.225287904        -2.088542720    
H        -0.1132638684         2.641008542        -2.678962980    
H        -0.1643051523E-01     3.449295997        -1.348076586    
O         0.8799931314         3.817640293        0.1391634575    
H         0.3057386662         3.523510230        0.9077742469    
H         0.9936570865         4.761698096        0.2510965741    
O         -3.254510809       -0.4624116885         2.222820588    
H         -2.503492033       -0.7768077705         2.772744256    
H         -3.288762730        -1.052866667         1.453827591    
O         -2.052250521         1.373493100       -0.8853917847    
H         -1.635839370         2.134884298        -1.356382891    
H         -2.466911495         1.722392632       -0.7509598439E-01
O         -1.046246812        -1.277010605         3.529346888    
H        -0.4806588064       -0.5027045273         3.355223624    
H        -0.5538870792        -2.026678173         3.165608022    
O         0.6318474903        -3.149695541         2.269473932    
H          1.460323541        -2.680911284         1.983084326    
H         0.9133670450        -3.989047845         2.632648710    
O        -0.6713979697        -2.619833908       -0.2297085079E-01
H         -1.640437227        -2.588811969        0.7842392679E-01
H        -0.2929040337        -2.912575654        0.8276150536    
O          2.942228274        -2.095487443        -1.409908068    
H          2.087704462        -2.464862749        -1.773489527    
H          3.643844746        -2.651643519        -1.747213183    
O          2.122932109        0.4710317864        -1.488970628    
H          2.563225669       -0.3955480263        -1.535273162    
H          1.339414989        0.3174746131       -0.8977133014    
O        -0.7116529562       -0.9556367361        -3.715145974    
H        -0.9907789165        -1.039381308        -4.627473502    
H        -0.2348662599       -0.1018511593        -3.643685054    
O         -3.326174177        -2.178392359        0.5314413154E-02
H         -3.274107620        -1.640260597       -0.8335591301    
H         -4.091424069        -2.745916654       -0.8284725408E-01
O          3.263527790        0.6198180761         2.175291820    
H          3.972201497        0.8662115936         2.768589880    
H          3.269396010         1.287533433         1.432661871    
O         -3.037895618         2.037959812         1.534297614    
H         -3.870854085         2.439229268         1.780431175    
H         -3.091217128         1.085973450         1.840955941    
O          2.829216725        -2.006743186         1.381891573    
H          2.990167750        -1.089896455         1.661722966    
H          2.859280885        -2.009076910        0.4105301541    
O         0.1405078278E-01   -0.3168919410E-01   -0.1223457015E-01
H        -0.7705342650        0.4719288495       -0.3376308551    
H        -0.2280053943       -0.9827806318       -0.5172206831E-01
O         0.6618877948        -2.957328573        -2.344657759    
H         0.2151242838        -2.288458875        -2.888535889    
H         0.1425143743        -2.991139500        -1.519545815    
O          3.180064441         2.319128293        0.1892344262    
H          2.403885631         2.907151421        0.2470378424    
H          2.949733612         1.691616101       -0.5208437809    
O         0.5602635379        0.6732070394         2.516693071    
H          1.529289578        0.6456008801         2.572259050    
H         0.3517219543        0.4052226936         1.594215400    
O         -3.052540618       -0.7491410768        -2.170495009    
H         -2.829809118        0.1073784820        -1.753862474    
H         -2.262259658       -0.9775491355        -2.684329160    
    63
Energy=    -106.839321223570    
O         0.8065292971         1.288729678        -3.581899260    
H          1.357045363         1.000498924        -2.802181114    
H          1.420132674         1.555551929        -4.266510697    
O        -0.5619539069         3.085820918         2.172542135    
H         -1.472338650         2.822033773         1.956599856    
H        -0.1287846483         2.254738226         2.459364733    
O        -0.6118116655         3.225158863        -2.088384192    
H        -0.1130689095         2.641087623        -2.678913408    
H        -0.1632727001E-01     3.449144134        -1.347884642    
O         0.8800845087         3.817529731        0.1392602371    
H         0.3058177768         3.523370133        0.9078688230    
H         0.9933354326         4.761680937        0.2509110857    
O         -3.254470391       -0.4624806534         2.222846468    
H         -2.503374781       -0.7768403252         2.772704885    
H         -3.288830442        -1.053032514         1.453929386    
O         -2.052355682         1.373563972       -0.8854372929    
H         -1.635987765         2.134977411        -1.356457488    
H         -2.466886408         1.722438585       -0.7507832483E-01
O         -1.046122226        -1.277072961         3.529224902    
H        -0.4805749669       -0.5027730636         3.355005397    
H        -0.5537996428        -2.026796737         3.165578309    
O         0.6319442446        -3.149905919         2.269527618    
H          1.460441415        -2.681211477         1.983078405    
H         0.9133782852        -3.989314351         2.632675293    
O        -0.6712745015        -2.619807572       -0.2286041532E-01
H         -1.640320414        -2.588700269        0.7846764501E-01
H        -0.2928215131        -2.912652817        0.8277125907    
O          2.942156053        -2.095374440        -1.409916340    
H          2.087533688        -2.464645805        -1.773394719    
H          3.643693114        -2.651562206        -1.747342980    
O          2.122823126        0.4711320935        -1.489064658    
H          2.563251228       -0.3954209121        -1.535304631    
H          1.339295937        0.3175616843       -0.8978336446    
O        -0.7116199232       -0.9557594055        -3.715147832    
H        -0.9908313245        -1.039680961        -4.627443031    
H        -0.2349319022       -0.1019177580        -3.643784110    
O         -3.326105305        -2.178401052        0.5295680636E-02
H         -3.273996683        -1.640195328       -0.8335141690    
H         -4.091462286        -2.745815620       -0.8288863768E-01
O          3.263392504        0.6198293440         2.175453395    
H          3.972105314        0.8660507408         2.768782544    
H          3.269412498         1.287507507         1.432791339    
O         -3.037747164         2.038040161         1.534392327    
H         -3.870769718         2.439232319         1.780446363    
H         -3.090974027         1.086009991         1.840917563    
O          2.829218472        -2.006745403         1.381985060    
H          2.990065789        -1.089874969         1.661836278    
H          2.859197261        -2.009059063        0.4106222556    
O         0.1390332133E-01   -0.3150630437E-01   -0.1227806227E-01
H        -0.7706758816        0.4720935993       -0.3377673378    
H        -0.2280797339       -0.9826100269       -0.5167301883E-01
O         0.6618738628        -2.957309938        -2.344786164    
H         0.2151206549        -2.288368205        -2.888591421    
H         0.1425497721        -2.991172496        -1.519657064    
O          3.180163651         2.319075814        0.1892980849    
H          2.404013080         2.907133076        0.2470820940    
H          2.949820915         1.691602958       -0.5208061241    
O         0.5601191352        0.6734204133         2.516603190    
H          1.529123331        0.6457173789         2.572295841    
H         0.3515957564        0.4054175375         1.594109226    
O         -3.052441018       -0.7491725851        -2.170556294    
H         -2.829765758        0.1073870932        -1.753998954    
H         -2.262121853       -0.9775978107        -2.684343501    
    63
Energy=    -106.839321179310    
O         0.8065805800         1.288705024        -3.582041247    
H          1.356961830         1.000600656        -2.802183647    
H          1.420276312         1.555446752        -4.266586448    
O        -0.5618771142         3.086331747         2.172397706    
H         -1.472218115         2.822349916         1.956528746    
H        -0.1287233504         2.255301476         2.459405171    
O        -0.6118251578         3.225071228        -2.088667627    
H        -0.1132725250         2.640800922        -2.679191485    
H        -0.1632241494E-01     3.448645959        -1.348076477    
O         0.8801091361         3.817218607        0.1388221217    
H         0.3059583313         3.523377768        0.9076231480    
H         0.9929945691         4.761468653        0.2498979478    
O         -3.254545960       -0.4625891618         2.222874705    
H         -2.503469102       -0.7769939680         2.772696904    
H         -3.289053512        -1.053258495         1.454049937    
O         -2.052550162         1.373683886       -0.8854001527    
H         -1.636111162         2.134992277        -1.356489532    
H         -2.466921654         1.722552264       -0.7494163014E-01
O         -1.045991361        -1.277248347         3.528883254    
H        -0.4805101169       -0.5028982340         3.354594381    
H        -0.5535534245        -2.026977674         3.165369745    
O         0.6321477750        -3.150404068         2.269496941    
H          1.460627443        -2.681624542         1.983124000    
H         0.9136016990        -3.989954952         2.632298048    
O        -0.6710472118        -2.619578003       -0.2274528249E-01
H         -1.640080916        -2.588712545        0.7858050603E-01
H        -0.2926450696        -2.912573608        0.8278022409    
O          2.942114066        -2.095242793        -1.409875217    
H          2.087531728        -2.464487803        -1.773442903    
H          3.643564976        -2.651476716        -1.747409057    
O          2.122790822        0.4712914523        -1.488951931    
H          2.563251905       -0.3951851297        -1.535061764    
H          1.339245509        0.3176659681       -0.8977416930    
O        -0.7116705057       -0.9557991410        -3.715311721    
H        -0.9909217780        -1.039750290        -4.627573320    
H        -0.2349896573       -0.1019393307        -3.644031654    
O         -3.326035400        -2.178380520        0.5348692528E-02
H         -3.273852701        -1.640109777       -0.8334151453    
H         -4.091445545        -2.745683859       -0.8295291832E-01
O          3.263135368        0.6196220650         2.175764609    
H          3.971893748        0.8656707357         2.769103163    
H          3.269313186         1.287360873         1.433160963    
O         -3.037577634         2.037891627         1.534601636    
H         -3.870422843         2.439238048         1.780972918    
H         -3.090944295         1.085898012         1.841222235    
O          2.829261804        -2.006829556         1.382047850    
H          2.990001949        -1.089972323         1.661947293    
H          2.859152928        -2.009062640        0.4106777357    
O         0.1382675340E-01   -0.3124607652E-01   -0.1221259900E-01
H        -0.7707702674        0.4723121904       -0.3376949383    
H        -0.2282533337       -0.9823359361       -0.5149793958E-01
O         0.6619031383        -2.957261429        -2.344819323    
H         0.2151483758        -2.288349533        -2.888647202    
H         0.1425493560        -2.991099169        -1.519698093    
O          3.180319440         2.318967463        0.1896003295    
H          2.404165812         2.907047391        0.2473118433    
H          2.950033952         1.691576508       -0.5205755920    
O         0.5598087120        0.6738009308         2.516757943    
H          1.528822249        0.6459459776         2.572421788    
H         0.3512919141        0.4059374930         1.594240229    
O         -3.052386605       -0.7490684294        -2.170480688    
H         -2.829743897        0.1075637808        -1.754035055    
H         -2.262141475       -0.9774860019        -2.684362967    
    63
Energy=    -106.839321176350    
O         0.8065906676         1.288646701        -3.582122567    
H          1.356988054         1.000621164        -2.802249729    
H          1.420276762         1.555529439        -4.266618693    
O        -0.5618635518         3.086414966         2.172415698    
H         -1.472202866         2.822439668         1.956520451    
H        -0.1287215535         2.255379230         2.459433515    
O        -0.6117356124         3.225046128        -2.088658465    
H        -0.1132288348         2.640729480        -2.679165391    
H        -0.1625405695E-01     3.448519003        -1.348016936    
O         0.8801306335         3.817179127        0.1388264140    
H         0.3059804323         3.523429313        0.9076700486    
H         0.9928845069         4.761461307        0.2496939755    
O         -3.254569876       -0.4626295403         2.222904812    
H         -2.503477964       -0.7770137167         2.772717640    
H         -3.289081733        -1.053282724         1.454067775    
O         -2.052571489         1.373709720       -0.8854246279    
H         -1.636083444         2.135010158        -1.356476058    
H         -2.466939572         1.722560242       -0.7496151579E-01
O         -1.045948468        -1.277272941         3.528808618    
H        -0.4804871654       -0.5029090430         3.354495704    
H        -0.5534933101        -2.027003004         3.165343338    
O         0.6321650992        -3.150531075         2.269513687    
H          1.460634496        -2.681685209         1.983202020    
H         0.9136670156        -3.990068904         2.632276331    
O        -0.6710155396        -2.619546626       -0.2272236102E-01
H         -1.640050090        -2.588762199        0.7860574014E-01
H        -0.2925889437        -2.912536441        0.8278115558    
O          2.942092684        -2.095259823        -1.409831283    
H          2.087524688        -2.464458535        -1.773486247    
H          3.643552480        -2.651446994        -1.747420790    
O          2.122747776        0.4713390635        -1.488971980    
H          2.563267228       -0.3951139999        -1.535050407    
H          1.339219897        0.3177008260       -0.8977363504    
O        -0.7117009907       -0.9558050174        -3.715367347    
H        -0.9909267401        -1.039821605        -4.627641378    
H        -0.2350235517       -0.1019548989        -3.644159333    
O         -3.326023213        -2.178396146        0.5365636528E-02
H         -3.273807020        -1.640081456       -0.8333698196    
H         -4.091457572        -2.745654246       -0.8295159614E-01
O          3.263085224        0.6195993430         2.175797343    
H          3.971862601        0.8656223875         2.769129574    
H          3.269279357         1.287346845         1.433197473    
O         -3.037535207         2.037830192         1.534632463    
H         -3.870342665         2.439255829         1.781031826    
H         -3.090956418         1.085834564         1.841255650    
O          2.829232852        -2.006837821         1.382056364    
H          2.989979673        -1.089986056         1.661975523    
H          2.859132540        -2.009045568        0.4106939617    
O         0.1379873371E-01   -0.3121217132E-01   -0.1222647738E-01
H        -0.7707982896        0.4723503551       -0.3377014150    
H        -0.2282878215       -0.9823013286       -0.5149194239E-01
O         0.6619150993        -2.957268371        -2.344788628    
H         0.2151622664        -2.288382143        -2.888653964    
H         0.1425218331        -2.991111030        -1.519694147    
O          3.180332691         2.318939163        0.1896652582    
H          2.404216529         2.907055383        0.2473796119    
H          2.950026703         1.691582542       -0.5205425108    
O         0.5597545065        0.6738596530         2.516754501    
H          1.528767387        0.6460036161         2.572393418    
H         0.3512112924        0.4060508574         1.594226498    
O         -3.052405394       -0.7490358078        -2.170465916    
H         -2.829744970        0.1075958680        -1.754033141    
H         -2.262166682       -0.9774700932        -2.684351929    
    63
Energy=    -106.839321163530    
O         0.8065997527         1.288629121        -3.582180170    
H          1.357015363         1.000685266        -2.802297548    
H          1.420285208         1.555624131        -4.266622115    
O        -0.5618597360         3.086420320         2.172445502    
H         -1.472204801         2.822483852         1.956515057    
H        -0.1287149697         2.255383736         2.459449968    
O        -0.6116639967         3.225049878        -2.088610259    
H        -0.1131749173         2.640716411        -2.679102182    
H        -0.1620445595E-01     3.448440302        -1.347908633    
O         0.8801490855         3.817172273        0.1388910142    
H         0.3059877703         3.523459081        0.9077484420    
H         0.9928035579         4.761483402        0.2496460859    
O         -3.254563100       -0.4626461841         2.222922148    
H         -2.503461532       -0.7770075639         2.772746448    
H         -3.289087564        -1.053305001         1.454085875    
O         -2.052567960         1.373704287       -0.8854577445    
H         -1.636048179         2.135009447        -1.356467807    
H         -2.466952457         1.722546507       -0.7499004905E-01
O         -1.045918771        -1.277254777         3.528795068    
H        -0.4804632255       -0.5028955177         3.354444667    
H        -0.5534631760        -2.027003124         3.165352993    
O         0.6321502243        -3.150595719         2.269537126    
H          1.460606938        -2.681703095         1.983286892    
H         0.9136943727        -3.990096102         2.632349879    
O        -0.6710080320        -2.619553574       -0.2270570303E-01
H         -1.640046293        -2.588822533        0.7860792398E-01
H        -0.2925531003        -2.912524330        0.8278253226    
O          2.942062155        -2.095333659        -1.409771758    
H          2.087493087        -2.464445681        -1.773520369    
H          3.643526470        -2.651470207        -1.747435650    
O          2.122699437        0.4713660599        -1.489015557    
H          2.563317082       -0.3950776899        -1.535084266    
H          1.339208596        0.3176893293       -0.8977495002    
O        -0.7117041640       -0.9557779663        -3.715383712    
H        -0.9909128675        -1.039881363        -4.627679004    
H        -0.2350440049       -0.1019107494        -3.644258872    
O         -3.326018934        -2.178413293        0.5383996532E-02
H         -3.273775177        -1.640060920       -0.8333249278    
H         -4.091484734        -2.745643157       -0.8294247550E-01
O          3.263072762        0.6196232685         2.175781629    
H          3.971860496        0.8656267560         2.769108191    
H          3.269269852         1.287364819         1.433181926    
O         -3.037517686         2.037785649         1.534635069    
H         -3.870310830         2.439264896         1.780994202    
H         -3.090960489         1.085784939         1.841254212    
O          2.829187873        -2.006830875         1.382076624    
H          2.989965974        -1.089983342         1.661989841    
H          2.859105581        -2.009035912        0.4107068915    
O         0.1377115607E-01   -0.3121799736E-01   -0.1225989479E-01
H        -0.7708147622        0.4723598367       -0.3377398581    
H        -0.2283155877       -0.9823027556       -0.5151912104E-01
O         0.6619201433        -2.957274532        -2.344767333    
H         0.2151957887        -2.288388875        -2.888657401    
H         0.1424826289        -2.991157129        -1.519698529    
O          3.180320247         2.318919537        0.1896884863    
H          2.404234086         2.907075720        0.2473830301    
H          2.950006901         1.691586509       -0.5205726632    
O         0.5597368939        0.6738671010         2.516719962    
H          1.528755049        0.6460386559         2.572340712    
H         0.3511647055        0.4060939385         1.594172378    
O         -3.052409481       -0.7490245575        -2.170468370    
H         -2.829746269        0.1076103723        -1.754041340    
H         -2.262166884       -0.9774696167        -2.684325269    
    63
Energy=    -106.839321145710    
O         0.8066052246         1.288651336        -3.582184622    
H          1.357026309         1.000753323        -2.802308901    
H          1.420298695         1.555735809        -4.266578281    
O        -0.5618622046         3.086374104         2.172453581    
H         -1.472215603         2.822463313         1.956513432    
H        -0.1287058933         2.255331300         2.459445030    
O        -0.6116309434         3.225063613        -2.088580343    
H        -0.1131430551         2.640725233        -2.679047526    
H        -0.1618787660E-01     3.448426547        -1.347829184    
O         0.8801512599         3.817199616        0.1389498170    
H         0.3059837992         3.523446921        0.9077990077    
H         0.9927628265         4.761506161        0.2497171867    
O         -3.254527863       -0.4626293336         2.222908327    
H         -2.503433723       -0.7769878831         2.772765751    
H         -3.289076345        -1.053322614         1.454094374    
O         -2.052552686         1.373683452       -0.8854774346    
H         -1.636022310         2.134994541        -1.356474629    
H         -2.466947701         1.722534237       -0.7500933842E-01
O         -1.045914089        -1.277228285         3.528833088    
H        -0.4804478018       -0.5028753314         3.354454004    
H        -0.5534745281        -2.026984201         3.165382207    
O         0.6321222251        -3.150587608         2.269553114    
H          1.460574703        -2.681683045         1.983326268    
H         0.9136739506        -3.990038538         2.632452231    
O        -0.6710102572        -2.619574889       -0.2270516579E-01
H         -1.640056830        -2.588856073        0.7858868933E-01
H        -0.2925547831        -2.912537926        0.8278323578    
O          2.942037634        -2.095411747        -1.409728526    
H          2.087465388        -2.464453764        -1.773533166    
H          3.643500139        -2.651515835        -1.747462755    
O          2.122667119        0.4713751284        -1.489043643    
H          2.563368890       -0.3951028140        -1.535125851    
H          1.339219352        0.3176437523       -0.8977697104    
O        -0.7116955359       -0.9557405015        -3.715348638    
H        -0.9909018189        -1.039909703        -4.627663512    
H        -0.2350460576       -0.1018525544        -3.644293266    
O         -3.326030664        -2.178428767        0.5395380396E-02
H         -3.273779507        -1.640053871       -0.8333032146    
H         -4.091503247        -2.745651094       -0.8292987311E-01
O          3.263094944        0.6196684311         2.175745565    
H          3.971887899        0.8656634011         2.769070434    
H          3.269282043         1.287394800         1.433148163    
O         -3.037525046         2.037772118         1.534608411    
H         -3.870337779         2.439261862         1.780908574    
H         -3.090953153         1.085777523         1.841228528    
O          2.829156043        -2.006816933         1.382093097    
H          2.989967764        -1.089964205         1.661988997    
H          2.859090857        -2.009034956        0.4107229790    
O         0.1376039159E-01   -0.3124110322E-01   -0.1229163387E-01
H        -0.7708108178        0.4723499535       -0.3377770986    
H        -0.2283326316       -0.9823237804       -0.5155399846E-01
O         0.6619217108        -2.957280553        -2.344764440    
H         0.2152271426        -2.288379083        -2.888657169    
H         0.1424578199        -2.991206931        -1.519714546    
O          3.180290476         2.318920816        0.1896700189    
H          2.404225585         2.907085317        0.2473359393    
H          2.949985989         1.691583654       -0.5206250741    
O         0.5597567273        0.6738300061         2.516690410    
H          1.528773279        0.6460381699         2.572305927    
H         0.3511722761        0.4060641325         1.594126335    
O         -3.052409888       -0.7490276767        -2.170470257    
H         -2.829750082        0.1076179845        -1.754049545    
H         -2.262156638       -0.9774773566        -2.684296401    
    63
Energy=    -106.839321068180    
O         0.8065262833         1.288054408        -3.582457499    
H          1.357004692         1.000303434        -2.802540105    
H          1.420088946         1.554795506        -4.267119791    
O        -0.5617826091         3.087081036         2.172492968    
H         -1.472107311         2.823126191         1.956511763    
H        -0.1287420686         2.256036741         2.459699106    
O        -0.6115272958         3.224752135        -2.088807410    
H        -0.1132989385         2.640378878        -2.679468898    
H        -0.1588243502E-01     3.447959647        -1.348165315    
O         0.8802358443         3.816881692        0.1385807807    
H         0.3060743711         3.523736398        0.9076601541    
H         0.9926922940         4.761363794        0.2482780041    
O         -3.254995799       -0.4629012215         2.223159674    
H         -2.503669705       -0.7772604320         2.772661343    
H         -3.289265839        -1.053202530         1.454031961    
O         -2.052635927         1.373952516       -0.8854063753    
H         -1.636057767         2.135279357        -1.356393749    
H         -2.467143425         1.722725449       -0.7497117672E-01
O         -1.045808397        -1.277596179         3.528169660    
H        -0.4805169069       -0.5030852961         3.353967732    
H        -0.5531203682        -2.027300106         3.164991130    
O         0.6325144490        -3.151221026         2.269433039    
H          1.460843540        -2.682049151         1.983311912    
H         0.9141533847        -3.991050316         2.631402176    
O        -0.6709026109        -2.619179305       -0.2259589303E-01
H         -1.639957348        -2.588770384        0.7878640471E-01
H        -0.2921548854        -2.912162229        0.8278112974    
O          2.942146937        -2.094797737        -1.410006842    
H          2.087630590        -2.464239316        -1.773559099    
H          3.643817089        -2.650887808        -1.747309033    
O          2.122582576        0.4717985538        -1.488783621    
H          2.563130058       -0.3946728815        -1.534797017    
H          1.339025561        0.3182187626       -0.8975861430    
O        -0.7120336572       -0.9561716028        -3.715914063    
H        -0.9910993953        -1.040108915        -4.628227779    
H        -0.2351532779       -0.1024119256        -3.644569598    
O         -3.325866022        -2.178350944        0.5366915237E-02
H         -3.273609116        -1.639949836       -0.8333139567    
H         -4.091379610        -2.745474540       -0.8303809711E-01
O          3.262675703        0.6192916691         2.176212869    
H          3.971519615        0.8650846855         2.769554986    
H          3.269042871         1.287027254         1.433599192    
O         -3.037280614         2.037598297         1.535075875    
H         -3.869767747         2.439424926         1.781907339    
H         -3.091089510         1.085572481         1.841524982    
O          2.829297648        -2.007009820         1.381978300    
H          2.989916251        -1.090187742         1.662144736    
H          2.859158001        -2.008966734        0.4105966033    
O         0.1366134986E-01   -0.3083488717E-01   -0.1193222581E-01
H        -0.7709619481        0.4726206588       -0.3375053193    
H        -0.2282660939       -0.9819756387       -0.5125988473E-01
O         0.6619292039        -2.957293325        -2.344606213    
H         0.2151328983        -2.288693351        -2.888764572    
H         0.1426718056        -2.990863878        -1.519414154    
O          3.180547035         2.318725793        0.1902431044    
H          2.404589373         2.907028729        0.2480347683    
H          2.950109231         1.691620358       -0.5201341421    
O         0.5594036425        0.6744828782         2.516940097    
H          1.528407512        0.6462490482         2.572574964    
H         0.3506736975        0.4067956253         1.594410232    
O         -3.052488166       -0.7489066782        -2.170418486    
H         -2.829736235        0.1077163124        -1.754017483    
H         -2.262390325       -0.9773498788        -2.684520643    
    63
Energy=    -106.839321027380    
O         0.8065514022         1.288221675        -3.582438307    
H          1.357080821         1.000352558        -2.802605530    
H          1.420084954         1.554508187        -4.267339617    
O        -0.5618352757         3.087226304         2.172693762    
H         -1.472110754         2.823168585         1.956639049    
H        -0.1288026348         2.256144410         2.459784064    
O        -0.6116039703         3.224915916        -2.088706740    
H        -0.1133760428         2.640651708        -2.679482333    
H        -0.1586397291E-01     3.447983427        -1.348131751    
O         0.8802610468         3.816751272        0.1385942574    
H         0.3061336564         3.523768752        0.9077580174    
H         0.9926205649         4.761228123        0.2480503594    
O         -3.255112215       -0.4630228200         2.223288420    
H         -2.503731694       -0.7773368471         2.772757549    
H         -3.289259673        -1.053173742         1.454041699    
O         -2.052654253         1.373980868       -0.8854579834    
H         -1.636070766         2.135353134        -1.356341673    
H         -2.467128053         1.722671542       -0.7500710588E-01
O         -1.045731926        -1.277564875         3.528106944    
H        -0.4804255118       -0.5030742480         3.353830314    
H        -0.5530430952        -2.027294242         3.164979566    
O         0.6324874716        -3.151262978         2.269572671    
H          1.460832626        -2.682122029         1.983427402    
H         0.9142197447        -3.991112010         2.631466042    
O        -0.6708335829        -2.619268293       -0.2259399885E-01
H         -1.639867342        -2.588926573        0.7891296046E-01
H        -0.2921915300        -2.912261597        0.8278366740    
O          2.942141468        -2.094705082        -1.410033745    
H          2.087708105        -2.464286556        -1.773546341    
H          3.643759264        -2.650988702        -1.747148539    
O          2.122617282        0.4717841860        -1.488751851    
H          2.563049759       -0.3947307353        -1.534721454    
H          1.339007490        0.3182947805       -0.8976228433    
O        -0.7119443060       -0.9560816325        -3.715959502    
H        -0.9909578507        -1.039905022        -4.628337598    
H        -0.2351135838       -0.1023271567        -3.644517456    
O         -3.325827647        -2.178331919        0.5381822000E-02
H         -3.273506103        -1.639943800       -0.8332963838    
H         -4.091411761        -2.745374006       -0.8304530554E-01
O          3.262622139        0.6192622422         2.176158703    
H          3.971453491        0.8651242694         2.769497960    
H          3.269058755         1.286981838         1.433538211    
O         -3.037219188         2.037507586         1.535066759    
H         -3.869680198         2.439408655         1.781872965    
H         -3.091107587         1.085476134         1.841537864    
O          2.829202928        -2.006997198         1.381989884    
H          2.989824778        -1.090197832         1.662142941    
H          2.859036681        -2.008943307        0.4106364606    
O         0.1359316120E-01   -0.3085548626E-01   -0.1192177407E-01
H        -0.7710208054        0.4725727772       -0.3375455464    
H        -0.2282991595       -0.9819776720       -0.5130012256E-01
O         0.6619091578        -2.957345970        -2.344667329    
H         0.2150209339        -2.288711431        -2.888701055    
H         0.1426285545        -2.990782327        -1.519462893    
O          3.180682644         2.318763004        0.1901478058    
H          2.404695584         2.906993559        0.2480934826    
H          2.950055130         1.691567775       -0.5201238371    
O         0.5593413592        0.6745595238         2.516839502    
H          1.528350947        0.6463153872         2.572360258    
H         0.3506586088        0.4068351500         1.594301072    
O         -3.052412824       -0.7489632911        -2.170401507    
H         -2.829672819        0.1076769086        -1.754028383    
H         -2.262363280       -0.9774232587        -2.684557454    
    63
Energy=    -106.839320862050    
O         0.8065021775         1.287198607        -3.582796711    
H          1.357128455        0.9999453356        -2.802788835    
H          1.419916179         1.554428962        -4.267377828    
O        -0.5620467681         3.088083966         2.172430975    
H         -1.472276700         2.823574190         1.956639579    
H        -0.1286682830         2.257326732         2.459870147    
O        -0.6111508690         3.224150900        -2.089242425    
H        -0.1132515597         2.639450596        -2.679849207    
H        -0.1525562936E-01     3.447419855        -1.348819697    
O         0.8805255932         3.816899074        0.1381462947    
H         0.3061633835         3.524354174        0.9072583111    
H         0.9928418184         4.761475354        0.2469460904    
O         -3.255469019       -0.4630493307         2.223294373    
H         -2.504383797       -0.7778370482         2.772840264    
H         -3.289743430        -1.053116849         1.453982183    
O         -2.052932901         1.374121067       -0.8851551896    
H         -1.636191153         2.135259885        -1.356279334    
H         -2.467141341         1.723084142       -0.7464276876E-01
O         -1.045819442        -1.278014456         3.527409759    
H        -0.4805772497       -0.5033756672         3.353618938    
H        -0.5527645121        -2.027583281         3.164479414    
O         0.6330787728        -3.151556113         2.269168043    
H          1.461465022        -2.682540229         1.982847292    
H         0.9145039823        -3.992020472         2.629809630    
O        -0.6705794707        -2.618900650       -0.2220092722E-01
H         -1.639630997        -2.588333647        0.7905693378E-01
H        -0.2920141688        -2.912585814        0.8280713013    
O          2.942291517        -2.094130548        -1.410000209    
H          2.088010434        -2.464039215        -1.773587679    
H          3.644384859        -2.649968037        -1.746853378    
O          2.122477557        0.4722980500        -1.488582131    
H          2.562572734       -0.3944007424        -1.534618495    
H          1.338906783        0.3190996206       -0.8973044276    
O        -0.7124215502       -0.9568230617        -3.716726733    
H        -0.9913975897        -1.040368027        -4.629099396    
H        -0.2352342617       -0.1032635306        -3.645124886    
O         -3.325739108        -2.178215281        0.5327403545E-02
H         -3.273689860        -1.639988831       -0.8334720479    
H         -4.091198950        -2.745481590       -0.8276220570E-01
O          3.262292676        0.6187010042         2.176498274    
H          3.970935136        0.8644391995         2.770097793    
H          3.268891736         1.286529088         1.433966605    
O         -3.037134780         2.037517597         1.535369970    
H         -3.869176107         2.439490180         1.783443748    
H         -3.090757792         1.085464964         1.841735070    
O          2.829528443        -2.007312374         1.381788475    
H          2.989639141        -1.090467856         1.662228907    
H          2.859066619        -2.008875331        0.4103827623    
O         0.1367247833E-01   -0.3027633592E-01   -0.1175246498E-01
H        -0.7711558843        0.4729434283       -0.3372117160    
H        -0.2279703922       -0.9814937410       -0.5084666577E-01
O         0.6619951202        -2.957097134        -2.344268344    
H         0.2146141815        -2.289262468        -2.888869698    
H         0.1429898512        -2.990238552        -1.518894717    
O          3.180639513         2.318590836        0.1910536006    
H          2.404779298         2.907001105        0.2487852123    
H          2.950167564         1.691615360       -0.5194406216    
O         0.5589987246        0.6749944852         2.517114343    
H          1.527966795        0.6464472485         2.573061827    
H         0.3505475366        0.4072700356         1.594524658    
O         -3.052663425       -0.7486361804        -2.170439414    
H         -2.829742366        0.1078342555        -1.753803469    
H         -2.262803622       -0.9769993016        -2.684927072    
    63
Energy=    -106.839320841330    
O         0.8064662985         1.287049729        -3.582845277    
H          1.357056039        0.9998155096        -2.802769178    
H          1.419884252         1.554245364        -4.267418900    
O        -0.5620456832         3.088163588         2.172351233    
H         -1.472275350         2.823642669         1.956635141    
H        -0.1286754343         2.257448853         2.459896577    
O        -0.6111062896         3.224088426        -2.089315785    
H        -0.1132122890         2.639301701        -2.679940514    
H        -0.1521377168E-01     3.447370917        -1.348938995    
O         0.8805465773         3.816946998        0.1380934187    
H         0.3061489845         3.524427590        0.9072081781    
H         0.9929096034         4.761493339        0.2469084030    
O         -3.255511638       -0.4630464960         2.223278768    
H         -2.504444617       -0.7778383453         2.772788415    
H         -3.289816539        -1.053092266         1.453969806    
O         -2.052926900         1.374124319       -0.8851205226    
H         -1.636226729         2.135245765        -1.356283157    
H         -2.467180281         1.723127631       -0.7458135976E-01
O         -1.045816199        -1.278106882         3.527390463    
H        -0.4806621745       -0.5034056615         3.353569553    
H        -0.5527582175        -2.027625241         3.164395668    
O         0.6331514558        -3.151617171         2.269044439    
H          1.461540528        -2.682571704         1.982767301    
H         0.9145439264        -3.992147201         2.629563282    
O        -0.6705616238        -2.618834293       -0.2214674844E-01
H         -1.639601546        -2.588193092        0.7906889234E-01
H        -0.2920035236        -2.912550061        0.8281061803    
O          2.942301455        -2.094031446        -1.409994858    
H          2.088055678        -2.463965575        -1.773612175    
H          3.644466029        -2.649798577        -1.746828241    
O          2.122414271        0.4723919678        -1.488585333    
H          2.562532356       -0.3943485317        -1.534607913    
H          1.338898287        0.3192133037       -0.8972918298    
O        -0.7125322529       -0.9569674373        -3.716836935    
H        -0.9914506325        -1.040414184        -4.629168939    
H        -0.2352456332       -0.1034498619        -3.645132787    
O         -3.325713030        -2.178197602        0.5318180008E-02
H         -3.273711580        -1.640001786       -0.8335256681    
H         -4.091156834        -2.745497249       -0.8273672419E-01
O          3.262255103        0.6186305157         2.176560312    
H          3.970863230        0.8643315063         2.770193893    
H          3.268875124         1.286449863         1.434066727    
O         -3.037097706         2.037562662         1.535508844    
H         -3.869131959         2.439483976         1.783659093    
H         -3.090746283         1.085486890         1.841752727    
O          2.829621922        -2.007360073         1.381718951    
H          2.989639253        -1.090507591         1.662240055    
H          2.859107035        -2.008851650        0.4103203514    
O         0.1369605494E-01   -0.3022149885E-01   -0.1175102845E-01
H        -0.7711663019        0.4729836274       -0.3371528264    
H        -0.2279556528       -0.9814464610       -0.5076391908E-01
O         0.6620332302        -2.957062388        -2.344187879    
H         0.2145934934        -2.289310838        -2.888904155    
H         0.1430376709        -2.990171881        -1.518822951    
O          3.180656336         2.318544840        0.1911560277    
H          2.404776296         2.907022069        0.2488812935    
H          2.950226734         1.691637106       -0.5193521798    
O         0.5589725218        0.6750920054         2.517198840    
H          1.527937411        0.6464384900         2.573174757    
H         0.3505144575        0.4073560989         1.594623850    
O         -3.052687709       -0.7486034993        -2.170471704    
H         -2.829751065        0.1078219724        -1.753807275    
H         -2.262825068       -0.9769451473        -2.685004382    
    63
Energy=    -106.839320796590    
O         0.8063618093         1.286693801        -3.582885054    
H          1.356865549        0.9996648537        -2.802701339    
H          1.419863922         1.553731396        -4.267480106    
O        -0.5620090813         3.088372886         2.172139371    
H         -1.472286180         2.823818979         1.956618470    
H        -0.1286602179         2.257726453         2.459918148    
O        -0.6110325527         3.223836078        -2.089564326    
H        -0.1132909644         2.638959346        -2.680173106    
H        -0.1507935538E-01     3.447164599        -1.349253536    
O         0.8805940500         3.817073544        0.1379780382    
H         0.3061122000         3.524589569        0.9070197564    
H         0.9931362185         4.761614895        0.2469200780    
O         -3.255645004       -0.4630178473         2.223238900    
H         -2.504531498       -0.7778697694         2.772693972    
H         -3.290003964        -1.053054129         1.453905698    
O         -2.052924798         1.374160967       -0.8849192853    
H         -1.636280665         2.135190233        -1.356283974    
H         -2.467208959         1.723215607       -0.7454581902E-01
O         -1.045861542        -1.278301987         3.527329170    
H        -0.4808586194       -0.5034738591         3.353441729    
H        -0.5527230865        -2.027734755         3.164205237    
O         0.6333174870        -3.151749329         2.268754714    
H          1.461753475        -2.682689530         1.982555773    
H         0.9146404317        -3.992456005         2.628945343    
O        -0.6704772169        -2.618606221       -0.2207227728E-01
H         -1.639527318        -2.587891095        0.7910737004E-01
H        -0.2919754480        -2.912425876        0.8282068120    
O          2.942330991        -2.093810447        -1.409944734    
H          2.088159512        -2.463789379        -1.773710392    
H          3.644598320        -2.649440646        -1.746795054    
O          2.122418744        0.4726196702        -1.488532757    
H          2.562473768       -0.3941031693        -1.534573029    
H          1.338828912        0.3194343431       -0.8972524078    
O        -0.7127463846       -0.9572441259        -3.716991940    
H        -0.9916566358        -1.040601753        -4.629426244    
H        -0.2352785083       -0.1038462365        -3.645264277    
O         -3.325687355        -2.178137568        0.5258394960E-02
H         -3.273819336        -1.640004681       -0.8335957590    
H         -4.091035988        -2.745549670       -0.8266652962E-01
O          3.262116013        0.6184047848         2.176770798    
H          3.970716397        0.8640607318         2.770461190    
H          3.268828612         1.286291547         1.434274055    
O         -3.037021670         2.037685578         1.535881006    
H         -3.869058288         2.439517157         1.784214760    
H         -3.090711710         1.085499585         1.841821629    
O          2.829832370        -2.007462367         1.381589329    
H          2.989674394        -1.090648477         1.662234848    
H          2.859208799        -2.008790596        0.4101832273    
O         0.1370949760E-01   -0.3010237447E-01   -0.1158666793E-01
H        -0.7711580545        0.4730484698       -0.3370552373    
H        -0.2279164342       -0.9813266984       -0.5060786233E-01
O         0.6621202227        -2.956975041        -2.344050353    
H         0.2145882683        -2.289470398        -2.888927166    
H         0.1431775931        -2.989945391        -1.518601752    
O          3.180631133         2.318502276        0.1914392856    
H          2.404803160         2.906983534        0.2490484430    
H          2.950309835         1.691679146       -0.5192389284    
O         0.5588795704        0.6753076773         2.517413458    
H          1.527846152        0.6464127316         2.573452986    
H         0.3504562929        0.4076088590         1.594828248    
O         -3.052716246       -0.7485636269        -2.170594830    
H         -2.829755107        0.1078332428        -1.753854525    
H         -2.262904409       -0.9768618889        -2.685191488    
    63
Energy=    -106.839320339600    
O         0.8060901724         1.285120416        -3.583157282    
H          1.356256820        0.9987602716        -2.802426245    
H          1.419998229         1.552623135        -4.267184386    
O        -0.5616676825         3.089123195         2.171186402    
H         -1.472063727         2.824710126         1.956022328    
H        -0.1284796213         2.258580204         2.459415762    
O        -0.6112610116         3.222355284        -2.090791037    
H        -0.1134619227         2.637133019        -2.681028047    
H        -0.1519030159E-01     3.446710007        -1.350942701    
O         0.8806404437         3.817785605        0.1367427381    
H         0.3059142514         3.525084350        0.9054867461    
H         0.9942768534         4.762041297        0.2470665341    
O         -3.256003959       -0.4630457541         2.223080951    
H         -2.504621875       -0.7778910243         2.772159514    
H         -3.290628649        -1.052997328         1.453688499    
O         -2.053261311         1.374161819       -0.8843104324    
H         -1.636477232         2.134839878        -1.356122494    
H         -2.467293417         1.723707644       -0.7405075193E-01
O         -1.046323675        -1.278898290         3.526521697    
H        -0.4816157991       -0.5037360543         3.353284258    
H        -0.5525742620        -2.028023088         3.163670002    
O         0.6339554797        -3.152234496         2.267921956    
H          1.462456161        -2.683335480         1.981649945    
H         0.9151272532        -3.993746210         2.626341753    
O        -0.6705511745        -2.617470316       -0.2204258217E-01
H         -1.639610119        -2.586815431        0.7933051267E-01
H        -0.2917940052        -2.911284940        0.8281427777    
O          2.942513530        -2.092591587        -1.410264787    
H          2.088329942        -2.462970280        -1.773672341    
H          3.644839194        -2.648375091        -1.746704664    
O          2.122227528        0.4732787752        -1.488322074    
H          2.562698147       -0.3932374335        -1.534367183    
H          1.338787445        0.3197950077       -0.8968980388    
O        -0.7133292033       -0.9582090702        -3.717629138    
H        -0.9924143733        -1.041012778        -4.630066200    
H        -0.2353974286       -0.1051085187        -3.645667138    
O         -3.325643392        -2.177805966        0.5119517799E-02
H         -3.274058867        -1.640022812       -0.8339816988    
H         -4.090480650        -2.745964847       -0.8249697831E-01
O          3.261638104        0.6175497210         2.177723110    
H          3.970217498        0.8628163679         2.771603384    
H          3.268429129         1.285672080         1.435515875    
O         -3.037139527         2.038002665         1.537206571    
H         -3.868852026         2.439738932         1.786795684    
H         -3.090663479         1.085687576         1.842723902    
O          2.830626982        -2.008041375         1.381127249    
H          2.990217256        -1.091312859         1.662198814    
H          2.859894813        -2.008833461        0.4097100981    
O         0.1402504121E-01   -0.2969111619E-01   -0.1071367010E-01
H        -0.7708572724        0.4732331916       -0.3363809854    
H        -0.2275657550       -0.9809752483       -0.4988324761E-01
O         0.6624559147        -2.956630969        -2.343586298    
H         0.2147336411        -2.289551899        -2.888831807    
H         0.1435570319        -2.989029798        -1.518078811    
O          3.180525937         2.318423263        0.1925304813    
H          2.404592659         2.906844788        0.2494121084    
H          2.950940246         1.691913166       -0.5186521064    
O         0.5584241725        0.6758046727         2.518615304    
H          1.527359056        0.6463763170         2.574751393    
H         0.3500604457        0.4088089237         1.595830234    
O         -3.052884751       -0.7484161299        -2.170951193    
H         -2.829917487        0.1078662421        -1.753987206    
H         -2.263214319       -0.9765306858        -2.685875097    
    63
Energy=    -106.839319929750    
O         0.8057343698         1.283785506        -3.583343448    
H          1.355626136        0.9977138707        -2.802263399    
H          1.419929998         1.550311978        -4.267522961    
O        -0.5613394985         3.089437975         2.170278728    
H         -1.471902500         2.825128097         1.955705061    
H        -0.1284573200         2.258922723         2.459144152    
O        -0.6115811323         3.221544016        -2.091368658    
H        -0.1140795798         2.635987119        -2.681537129    
H        -0.1500097717E-01     3.446583269        -1.352154213    
O         0.8809765281         3.818282216        0.1357938604    
H         0.3063745944         3.525169458        0.9044173462    
H         0.9956230879         4.762268625        0.2473543611    
O         -3.256143329       -0.4629833571         2.222970944    
H         -2.504800673       -0.7784108266         2.771719967    
H         -3.290767402        -1.052237732         1.453097576    
O         -2.053259583         1.373687204       -0.8834455035    
H         -1.636627868         2.134141355        -1.355780454    
H         -2.467729277         1.723723898       -0.7362674595E-01
O         -1.046422912        -1.279265599         3.525673118    
H        -0.4814087998       -0.5040258500         3.353435905    
H        -0.5523482335        -2.028407055         3.163296512    
O         0.6344094620        -3.152297937         2.267302829    
H          1.463113701        -2.683555025         1.981323417    
H         0.9151849613        -3.994670737         2.624035914    
O        -0.6706338940        -2.616356183       -0.2222979957E-01
H         -1.639704477        -2.585974046        0.7917360386E-01
H        -0.2918428333        -2.910114534        0.8279408066    
O          2.943085271        -2.091634384        -1.410651200    
H          2.088543266        -2.461685480        -1.773604059    
H          3.644840649        -2.647835013        -1.747611697    
O          2.122099474        0.4739443021        -1.487861172    
H          2.562978268       -0.3923146130        -1.534367268    
H          1.339108523        0.3201313068       -0.8959091194    
O        -0.7135068621       -0.9592890887        -3.718011215    
H        -0.9934501246        -1.042349471        -4.630153268    
H        -0.2359665107       -0.1058839502        -3.646550763    
O         -3.325738034        -2.177692412        0.4802995105E-02
H         -3.274197003        -1.639631809       -0.8341125688    
H         -4.090165336        -2.746314986       -0.8332785182E-01
O          3.261161902        0.6170572831         2.178608726    
H          3.970003562        0.8620097628         2.772314051    
H          3.267884047         1.285522699         1.436681256    
O         -3.037446345         2.038504752         1.537711355    
H         -3.868557755         2.440637876         1.788661875    
H         -3.090956866         1.086162355         1.843095085    
O          2.831567721        -2.008588506         1.380665502    
H          2.990923832        -1.092037409         1.662324076    
H          2.860790771        -2.008766513        0.4092680602    
O         0.1429556177E-01   -0.2857184052E-01   -0.9923926877E-02
H        -0.7709281351        0.4741494895       -0.3352818326    
H        -0.2270135806       -0.9798806295       -0.4925091384E-01
O         0.6629976488        -2.956207516        -2.343060662    
H         0.2151742513        -2.289738028        -2.888925757    
H         0.1434740691        -2.988701665        -1.517986484    
O          3.180047704         2.318330429        0.1937622406    
H          2.404299194         2.907104757        0.2498045079    
H          2.950906416         1.692059430       -0.5177608360    
O         0.5577078624        0.6763084190         2.519381301    
H          1.526595754        0.6462366554         2.576060637    
H         0.3497351546        0.4086315661         1.596634801    
O         -3.053228201       -0.7482491986        -2.171315220    
H         -2.830009451        0.1078298154        -1.754146248    
H         -2.263468146       -0.9768792104        -2.685846714    
    63
Energy=    -106.839319158630    
O         0.8053888090         1.282158120        -3.583330260    
H          1.355356532        0.9969342918        -2.802018416    
H          1.419592237         1.547722073        -4.267870035    
O        -0.5610335618         3.089548344         2.168790929    
H         -1.471730945         2.825273497         1.954721963    
H        -0.1282200205         2.259262544         2.458383680    
O        -0.6124679905         3.220577722        -2.091856395    
H        -0.1150544937         2.634844363        -2.681930303    
H        -0.1553771356E-01     3.446691017        -1.353307844    
O         0.8815375989         3.818306378        0.1344196451    
H         0.3067352172         3.525221355        0.9029036157    
H         0.9968317943         4.762180820        0.2462756413    
O         -3.256005451       -0.4624346361         2.222383343    
H         -2.505036146       -0.7784694188         2.771238136    
H         -3.291013708        -1.051409883         1.452295128    
O         -2.053700914         1.373356983       -0.8826969588    
H         -1.636953151         2.133672760        -1.355140788    
H         -2.468478751         1.723481276       -0.7313210896E-01
O         -1.046063271        -1.280347130         3.526018760    
H        -0.4814875892       -0.5048432592         3.353494609    
H        -0.5519208915        -2.028900103         3.162561841    
O         0.6350090172        -3.152089001         2.266138633    
H          1.464082069        -2.683629132         1.980833656    
H         0.9148485668        -3.995446706         2.621254623    
O        -0.6705353399        -2.614809062       -0.2233929038E-01
H         -1.639656681        -2.584801317        0.7858842550E-01
H        -0.2919179156        -2.909207705        0.8277498861    
O          2.943905380        -2.091078382        -1.411298628    
H          2.088915831        -2.460707519        -1.773524742    
H          3.645088622        -2.647260144        -1.749517247    
O          2.122440615        0.4745239535        -1.487422546    
H          2.563172795       -0.3918432619        -1.533731895    
H          1.339683259        0.3213148737       -0.8949876076    
O        -0.7144768153       -0.9603370558        -3.717957597    
H        -0.9947763659        -1.044286816        -4.629900387    
H        -0.2364669740       -0.1070784083        -3.647387653    
O         -3.326185332        -2.177566642        0.4152021487E-02
H         -3.274620997        -1.639075269       -0.8345581087    
H         -4.089982143        -2.746872987       -0.8495315055E-01
O          3.260511361        0.6165960929         2.179899953    
H          3.969964386        0.8611949586         2.773013202    
H          3.266752863         1.285213158         1.438152122    
O         -3.037772686         2.039362007         1.538248218    
H         -3.868202460         2.442073746         1.790499383    
H         -3.091615456         1.086912588         1.843106493    
O          2.832885032        -2.009014035         1.380399669    
H          2.991730438        -1.092472517         1.662524248    
H          2.862312772        -2.008820972        0.4089857634    
O         0.1478338107E-01   -0.2743169002E-01   -0.8446510792E-02
H        -0.7703139846        0.4756258125       -0.3335247304    
H        -0.2268852835       -0.9786571891       -0.4869250513E-01
O         0.6633935670        -2.955956865        -2.342968457    
H         0.2156641049        -2.289684289        -2.889216226    
H         0.1437536528        -2.988065511        -1.517889407    
O          3.179645644         2.318400870        0.1953932048    
H          2.403997552         2.907400034        0.2506913581    
H          2.950686910         1.691915053       -0.5159674991    
O         0.5573453407        0.6758481937         2.520947797    
H          1.526232583        0.6462040364         2.577649194    
H         0.3495359983        0.4086526980         1.598016040    
O         -3.053564951       -0.7479409744        -2.171314432    
H         -2.829973492        0.1080115906        -1.754022458    
H         -2.263621351       -0.9771857253        -2.685317513    
    63
Energy=    -106.839319085020    
O         0.8054599613         1.282396703        -3.583297603    
H          1.355282541        0.9969565088        -2.802033519    
H          1.419710128         1.548155007        -4.267720459    
O        -0.5610729657         3.089635569         2.168955622    
H         -1.471812211         2.825308759         1.954955019    
H        -0.1282309110         2.259251148         2.458516361    
O        -0.6122810047         3.220580189        -2.091833552    
H        -0.1150115947         2.634853510        -2.682069376    
H        -0.1535824041E-01     3.446693158        -1.353385931    
O         0.8815689211         3.818330757        0.1346034984    
H         0.3067639533         3.525154791        0.9030750508    
H         0.9967674875         4.762205378        0.2465767051    
O         -3.256027802       -0.4625500913         2.222448689    
H         -2.505168169       -0.7785230287         2.771256066    
H         -3.291032578        -1.051346562         1.452329118    
O         -2.053695010         1.373393811       -0.8828163510    
H         -1.636797432         2.133636282        -1.355204644    
H         -2.468300248         1.723466267       -0.7319045726E-01
O         -1.045963970        -1.280203827         3.526161927    
H        -0.4813581659       -0.5047060532         3.353269826    
H        -0.5519317061        -2.028793907         3.162504301    
O         0.6349607426        -3.152126022         2.266325263    
H          1.463967231        -2.683580465         1.980982327    
H         0.9148579314        -3.995419361         2.621553546    
O        -0.6704859980        -2.614902864       -0.2222479232E-01
H         -1.639605078        -2.584944142        0.7860039575E-01
H        -0.2919055444        -2.909303944        0.8278322546    
O          2.943873818        -2.091003462        -1.411287826    
H          2.088868531        -2.460614483        -1.773432898    
H          3.645020177        -2.647400141        -1.749245877    
O          2.122452091        0.4745233287        -1.487541412    
H          2.563187202       -0.3918882345        -1.533878262    
H          1.339585989        0.3211642525       -0.8949193314    
O        -0.7144371025       -0.9601748809        -3.717959118    
H        -0.9946595842        -1.044102407        -4.629919761    
H        -0.2363759494       -0.1069134548        -3.647396282    
O         -3.326100872        -2.177593501        0.4288244951E-02
H         -3.274596827        -1.639075393       -0.8345248214    
H         -4.090000544        -2.746784418       -0.8475762839E-01
O          3.260582119        0.6167065783         2.179751764    
H          3.969955050        0.8612585933         2.772933010    
H          3.266868741         1.285187018         1.438038062    
O         -3.037723641         2.039176158         1.538249718    
H         -3.868203022         2.441841386         1.790350447    
H         -3.091613341         1.086798207         1.843086051    
O          2.832719090        -2.008945706         1.380335208    
H          2.991674022        -1.092556957         1.662527811    
H          2.862076515        -2.008823672        0.4089884447    
O         0.1468449481E-01   -0.2756097325E-01   -0.8569966005E-02
H        -0.7704062962        0.4755079262       -0.3336369968    
H        -0.2269430859       -0.9787828868       -0.4879219030E-01
O         0.6632933985        -2.956007475        -2.342933328    
H         0.2157319857        -2.289720146        -2.889239276    
H         0.1436613042        -2.988256968        -1.517922470    
O          3.179617509         2.318482459        0.1950971828    
H          2.404000819         2.907396052        0.2505478916    
H          2.950619380         1.691904546       -0.5161371255    
O         0.5572855518        0.6757873971         2.520771838    
H          1.526245946        0.6462612334         2.577436498    
H         0.3494779235        0.4086116014         1.597778609    
O         -3.053499158       -0.7479945166        -2.171270656    
H         -2.830020621        0.1079459129        -1.754121781    
H         -2.263690775       -0.9772129429        -2.685353574    
    63
Energy=    -106.839318848120    
O         0.8054663484         1.281757085        -3.583417773    
H          1.355451375        0.9969070252        -2.801986453    
H          1.419581338         1.547765752        -4.267848081    
O        -0.5608796398         3.089431922         2.168215071    
H         -1.471643937         2.825257976         1.954348529    
H        -0.1281724893         2.259263057         2.458133184    
O        -0.6127313371         3.220218968        -2.091980623    
H        -0.1151643116         2.634461029        -2.681907552    
H        -0.1577929432E-01     3.446719541        -1.353486280    
O         0.8815241406         3.818267345        0.1340009207    
H         0.3066948112         3.525374285        0.9025290970    
H         0.9971679073         4.762100574        0.2457803842    
O         -3.255909119       -0.4622361469         2.222201984    
H         -2.504992208       -0.7783642766         2.771210773    
H         -3.291033420        -1.051448885         1.452255487    
O         -2.053711812         1.373260490       -0.8824282763    
H         -1.637179548         2.133676819        -1.354940564    
H         -2.468760238         1.723405340       -0.7301214125E-01
O         -1.046099475        -1.280664071         3.525986182    
H        -0.4816750881       -0.5050318180         3.353624197    
H        -0.5517987106        -2.029123794         3.162547118    
O         0.6350939000        -3.152050147         2.265812532    
H          1.464314906        -2.683697667         1.980671489    
H         0.9146877951        -3.995604829         2.620693780    
O        -0.6704780236        -2.614596374       -0.2241371214E-01
H         -1.639618875        -2.584479778        0.7849476417E-01
H        -0.2918974853        -2.909037590        0.8276888863    
O          2.944010543        -2.091060928        -1.411557656    
H          2.088952864        -2.460819280        -1.773523210    
H          3.645109502        -2.647244890        -1.749982048    
O          2.122635323        0.4746349922        -1.487126443    
H          2.563114129       -0.3918120437        -1.533427671    
H          1.339840236        0.3216413172       -0.8950331120    
O        -0.7148380979       -0.9605342342        -3.717845132    
H        -0.9950918506        -1.044814803        -4.629782519    
H        -0.2365602788       -0.1074297405        -3.647600865    
O         -3.326374402        -2.177500142        0.3930974201E-02
H         -3.274758486        -1.639005581       -0.8347240909    
H         -4.089970016        -2.747007525       -0.8537652178E-01
O          3.260308734        0.6164591985         2.180137653    
H          3.969950226        0.8610869072         2.773056555    
H          3.266391916         1.285280767         1.438396606    
O         -3.037840022         2.039556725         1.538235379    
H         -3.868060579         2.442465676         1.790888465    
H         -3.091754230         1.087048844         1.843202717    
O          2.833250392        -2.009096495         1.380472402    
H          2.991831249        -1.092418740         1.662555449    
H          2.862717879        -2.008895459        0.4090227235    
O         0.1503068834E-01   -0.2729913890E-01   -0.8376199102E-02
H        -0.7700655827        0.4759577300       -0.3330886646    
H        -0.2269545685       -0.9784728603       -0.4844427437E-01
O         0.6634917661        -2.955791657        -2.343059675    
H         0.2156405599        -2.289504661        -2.889255310    
H         0.1439254528        -2.987783390        -1.517878963    
O          3.179491576         2.318274467        0.1959838360    
H          2.403971211         2.907550197        0.2509671430    
H          2.950625442         1.691901265       -0.5155185521    
O         0.5573971464        0.6760640364         2.521285153    
H          1.526289909        0.6460830076         2.577951812    
H         0.3495608704        0.4086911242         1.598492521    
O         -3.053623021       -0.7479015612        -2.171206780    
H         -2.830002107        0.1081081377        -1.753911724    
H         -2.263590780       -0.9771854941        -2.685123416    
    63
Energy=    -106.839318824880    
O         0.8053831294         1.281103389        -3.583347111    
H          1.355620174        0.9968905173        -2.801826392    
H          1.419284357         1.546776436        -4.268066645    
O        -0.5606353137         3.089290805         2.167336714    
H         -1.471446411         2.825094116         1.953541099    
H        -0.1280308624         2.259159094         2.457701437    
O        -0.6133372985         3.220065688        -2.092184855    
H        -0.1156469127         2.634235417        -2.681842699    
H        -0.1647189760E-01     3.446638424        -1.353692930    
O         0.8814264306         3.818077483        0.1330700144    
H         0.3066038365         3.525500738        0.9018057685    
H         0.9973895268         4.761899795        0.2445538411    
O         -3.255584683       -0.4619973798         2.221872315    
H         -2.504817577       -0.7781027922         2.770982573    
H         -3.291013451        -1.051498501         1.452224358    
O         -2.053712410         1.373236429       -0.8819579112    
H         -1.637733013         2.133762667        -1.354688078    
H         -2.469296091         1.723427688       -0.7283337811E-01
O         -1.046419020        -1.281267319         3.525737754    
H        -0.4820567231       -0.5054727674         3.354232563    
H        -0.5517050143        -2.029589267         3.162588889    
O         0.6353039490        -3.151930329         2.265102754    
H          1.464742863        -2.683833205         1.980180558    
H         0.9145532712        -3.995724421         2.619604199    
O        -0.6705462589        -2.614144058       -0.2270138188E-01
H         -1.639680553        -2.583944989        0.7832627969E-01
H        -0.2919108255        -2.908634313        0.8273320600    
O          2.944174484        -2.091273467        -1.411810354    
H          2.089144280        -2.461159249        -1.773765768    
H          3.645337214        -2.646857321        -1.750993486    
O          2.123052530        0.4748405270        -1.486784340    
H          2.563092887       -0.3919075549        -1.532804433    
H          1.339866455        0.3220523784       -0.8948407530    
O        -0.7151811177       -0.9610199479        -3.717676147    
H        -0.9956132885        -1.045465359        -4.629545709    
H        -0.2368027916       -0.1079597154        -3.647562145    
O         -3.326638553        -2.177467350        0.3618531232E-02
H         -3.274959046        -1.638849252       -0.8350427057    
H         -4.089960982        -2.747361673       -0.8611435427E-01
O          3.260103404        0.6162921829         2.180616869    
H          3.969951700        0.8608093621         2.773288909    
H          3.265945619         1.285199255         1.439026127    
O         -3.038073584         2.040009562         1.538315555    
H         -3.867978042         2.443226729         1.791466343    
H         -3.091868478         1.087573434         1.843234919    
O          2.833948386        -2.009095050         1.380582583    
H          2.992012169        -1.092343301         1.662568663    
H          2.863572209        -2.008968158        0.4091929939    
O         0.1538586654E-01   -0.2688805590E-01   -0.7968944181E-02
H        -0.7697059855        0.4764674913       -0.3325168934    
H        -0.2268121631       -0.9779774247       -0.4802909026E-01
O         0.6636589151        -2.955549821        -2.343162085    
H         0.2155263971        -2.289410809        -2.889236230    
H         0.1443540702        -2.987177752        -1.517880250    
O          3.179397026         2.318055783        0.1970102285    
H          2.404073653         2.907529754        0.2515039832    
H          2.950813824         1.691855929       -0.5147878027    
O         0.5574799157        0.6763557348         2.522112057    
H          1.526382509        0.6458408820         2.578788700    
H         0.3497266178        0.4087497292         1.599324077    
O         -3.053661003       -0.7475630904        -2.171183885    
H         -2.829932502        0.1082415197        -1.753659831    
H         -2.263564716       -0.9770676457        -2.684827642    
    63
Energy=    -106.839317557660    
O         0.8042448432         1.279577892        -3.582980760    
H          1.355092450        0.9959047615        -2.801801310    
H          1.417748049         1.542041028        -4.269392815    
O        -0.5604323163         3.088954869         2.166744394    
H         -1.470942235         2.824510289         1.951959254    
H        -0.1277904980         2.258897837         2.457286219    
O        -0.6136616418         3.220730321        -2.092026685    
H        -0.1164631276         2.634648962        -2.681883598    
H        -0.1688312889E-01     3.445702692        -1.352866913    
O         0.8816462631         3.817854912        0.1324339931    
H         0.3068332579         3.525595645        0.9012660340    
H         0.9965124627         4.761993998        0.2424336095    
O         -3.254917194       -0.4613090655         2.221118049    
H         -2.504078762       -0.7777080825         2.769932941    
H         -3.290793126        -1.051325287         1.451912876    
O         -2.053980674         1.373587247       -0.8814162937    
H         -1.638468090         2.134120841        -1.354561689    
H         -2.470161820         1.723868738       -0.7268889026E-01
O         -1.047355353        -1.282402450         3.525372445    
H        -0.4824180680       -0.5065048827         3.355834843    
H        -0.5519551336        -2.030416723         3.162500687    
O         0.6359468766        -3.151535669         2.263661559    
H          1.465576534        -2.683801934         1.978677433    
H         0.9147428454        -3.995778765         2.617520357    
O        -0.6710063146        -2.612530974       -0.2359484167E-01
H         -1.640138466        -2.582737167        0.7775519554E-01
H        -0.2919260003        -2.907350177        0.8261229642    
O          2.944586546        -2.091604652        -1.411802010    
H          2.090015587        -2.461595921        -1.774691798    
H          3.646665723        -2.644551082        -1.753511750    
O          2.122926732        0.4749857397        -1.486573460    
H          2.563027728       -0.3917724839        -1.532154777    
H          1.339889757        0.3227712877       -0.8943369610    
O        -0.7156720870       -0.9629377692        -3.717534121    
H        -0.9967617265        -1.047149040        -4.629196645    
H        -0.2377316425       -0.1095277116        -3.647185980    
O         -3.326996064        -2.177719392        0.2984802441E-02
H         -3.275384808        -1.638622302       -0.8353522231    
H         -4.089839285        -2.748076785       -0.8733789770E-01
O          3.260054312        0.6158535512         2.182049796    
H          3.970308746        0.8601963956         2.774297610    
H          3.265643540         1.284672458         1.440407200    
O         -3.038551570         2.041521573         1.538201316    
H         -3.868299825         2.444633346         1.792092425    
H         -3.092006422         1.089012508         1.842758696    
O          2.835177137        -2.008830149         1.380743375    
H          2.992422986        -1.091946738         1.662852640    
H          2.865453940        -2.008956029        0.4093915170    
O         0.1564777265E-01   -0.2551577490E-01   -0.6688929533E-02
H        -0.7694609190        0.4772234582       -0.3321949527    
H        -0.2258196653       -0.9768160692       -0.4761493869E-01
O         0.6638676166        -2.955674179        -2.342982426    
H         0.2153351470        -2.290117310        -2.889550506    
H         0.1450743775        -2.986447765        -1.517249979    
O          3.179758443         2.318047695        0.1982704801    
H          2.404195659         2.907182527        0.2532683502    
H          2.951293484         1.692068556       -0.5136389518    
O         0.5573893045        0.6756183932         2.523881407    
H          1.526236127        0.6456042733         2.581284590    
H         0.3502441772        0.4090516215         1.600718260    
O         -3.053914385       -0.7465271475        -2.171501233    
H         -2.829529541        0.1087093464        -1.753168333    
H         -2.263707433       -0.9765956841        -2.684744168    
    63
Energy=    -106.839316785870    
O         0.8028804015         1.278188724        -3.582636306    
H          1.354164046        0.9945337360        -2.801677798    
H          1.415764488         1.538039409        -4.270630986    
O        -0.5599909350         3.088446728         2.165791879    
H         -1.470578285         2.824140572         1.951164790    
H        -0.1276185339         2.258687774         2.457556673    
O        -0.6139993470         3.220851497        -2.091541590    
H        -0.1169309597         2.635384312        -2.681987769    
H        -0.1703423445E-01     3.445252264        -1.352295559    
O         0.8817952284         3.817399877        0.1321819838    
H         0.3071765024         3.525390837        0.9013278305    
H         0.9944484885         4.761998681        0.2403513324    
O         -3.254096344       -0.4603130211         2.219984074    
H         -2.503759445       -0.7773489703         2.769033880    
H         -3.291126473        -1.050656279         1.451041862    
O         -2.054415288         1.374296955       -0.8817230303    
H         -1.638797514         2.134788332        -1.354930592    
H         -2.470196927         1.724781558       -0.7290123182E-01
O         -1.047255269        -1.283386972         3.526486449    
H        -0.4824954740       -0.5073704082         3.356908203    
H        -0.5526120962        -2.030879119         3.161549228    
O         0.6363828142        -3.151344570         2.262172586    
H          1.466033934        -2.683298497         1.977672275    
H         0.9154751983        -3.995491848         2.616009836    
O        -0.6712466391        -2.610437599       -0.2411297643E-01
H         -1.640478560        -2.582101944        0.7693359037E-01
H        -0.2920625779        -2.906358474        0.8251335486    
O          2.945200222        -2.091098355        -1.412105233    
H          2.090868521        -2.461849406        -1.774797718    
H          3.648103668        -2.641909841        -1.755510755    
O          2.122862817        0.4747010768        -1.486141659    
H          2.562719906       -0.3921902507        -1.532002275    
H          1.340176071        0.3225450669       -0.8933166820    
O        -0.7159407136       -0.9640879759        -3.717350161    
H        -0.9973649198        -1.047699015        -4.628971323    
H        -0.2382837113       -0.1105151566        -3.646485013    
O         -3.327233648        -2.177937716        0.2565499180E-02
H         -3.275826200        -1.638448715       -0.8355700579    
H         -4.089686303        -2.748818480       -0.8790952697E-01
O          3.260228378        0.6158502762         2.183586822    
H          3.970975781        0.8595115111         2.775553738    
H          3.266614285         1.284220039         1.441594946    
O         -3.039095188         2.042534866         1.537933822    
H         -3.868886051         2.445227721         1.792326462    
H         -3.092195647         1.089976152         1.842277035    
O          2.835940098        -2.008741338         1.380728421    
H          2.992847375        -1.091887653         1.663164650    
H          2.866798207        -2.009026239        0.4094000911    
O         0.1578867500E-01   -0.2427017264E-01   -0.6250640059E-02
H        -0.7697459297        0.4777270819       -0.3317544640    
H        -0.2248319152       -0.9757680515       -0.4735461749E-01
O         0.6642910958        -2.956308326        -2.342554603    
H         0.2154502263        -2.291476703        -2.889713600    
H         0.1450666097        -2.986451055        -1.517084900    
O          3.180017893         2.317734957        0.1991967945    
H          2.404282007         2.906671926        0.2541457326    
H          2.952185916         1.692362510       -0.5134685110    
O         0.5569554467        0.6750697108         2.525563599    
H          1.525756309        0.6452851867         2.583753469    
H         0.3507586407        0.4086848885         1.602109101    
O         -3.054046397       -0.7458262784        -2.171017613    
H         -2.829395529        0.1094827930        -1.752824953    
H         -2.264271091       -0.9757109868        -2.685068581    
    63
Energy=    -106.839315828090    
O         0.8020448916         1.277058185        -3.582440153    
H          1.353942608        0.9940073312        -2.801436314    
H          1.414561696         1.537010505        -4.270650696    
O        -0.5598393111         3.088163985         2.165387393    
H         -1.470495641         2.824003641         1.950735528    
H        -0.1277007608         2.258448323         2.457464088    
O        -0.6141722324         3.220879769        -2.091645235    
H        -0.1167267429         2.635074346        -2.681348636    
H        -0.1729522632E-01     3.445269419        -1.352251664    
O         0.8815568893         3.817272198        0.1313427506    
H         0.3074635827         3.524939023        0.9007899040    
H         0.9925947255         4.762173402        0.2385581690    
O         -3.253651410       -0.4599414795         2.219362649    
H         -2.503515286       -0.7773063168         2.768664618    
H         -3.291069554        -1.050110154         1.450360755    
O         -2.054502184         1.374811237       -0.8818495338    
H         -1.638820062         2.135004662        -1.355307494    
H         -2.470296542         1.725682188       -0.7316152414E-01
O         -1.047267544        -1.283999148         3.526758468    
H        -0.4826806245       -0.5079833879         3.357866634    
H        -0.5529756335        -2.031226558         3.160963953    
O         0.6364136124        -3.151285551         2.261191245    
H          1.466034219        -2.682882804         1.977226804    
H         0.9159888703        -3.995168646         2.615161761    
O        -0.6713217876        -2.609861989       -0.2447040557E-01
H         -1.640542419        -2.581483165        0.7641650411E-01
H        -0.2922238401        -2.905952604        0.8248689873    
O          2.945640905        -2.090753603        -1.412294451    
H          2.091229723        -2.462099000        -1.774302203    
H          3.648745745        -2.640418416        -1.756891931    
O          2.123031917        0.4744225197        -1.486254628    
H          2.562577351       -0.3926903207        -1.531918135    
H          1.340628124        0.3226662814       -0.8930084511    
O        -0.7162244355       -0.9643906098        -3.717303192    
H        -0.9974906029        -1.047453913        -4.629082038    
H        -0.2384549566       -0.1109028673        -3.645875209    
O         -3.327526928        -2.177966418        0.2578729454E-02
H         -3.276127957        -1.638453554       -0.8355547409    
H         -4.089615596        -2.749440833       -0.8821648721E-01
O          3.260503987        0.6157925024         2.184562906    
H          3.971518527        0.8589213164         2.776428590    
H          3.267090892         1.284136157         1.442610333    
O         -3.039478155         2.043154556         1.537963438    
H         -3.869394423         2.445488829         1.792508355    
H         -3.092046491         1.090429397         1.841901981    
O          2.836500502        -2.008854900         1.380720698    
H          2.993296109        -1.091971051         1.663121203    
H          2.867454216        -2.008805015        0.4094738787    
O         0.1589295294E-01   -0.2355152543E-01   -0.5544116645E-02
H        -0.7695542900        0.4784911109       -0.3311947087    
H        -0.2248566511       -0.9749518784       -0.4724588202E-01
O         0.6647659766        -2.956866385        -2.342325468    
H         0.2158703405        -2.292373703        -2.889731295    
H         0.1451192557        -2.986593308        -1.517180330    
O          3.180182892         2.317156117        0.1998023166    
H          2.404600339         2.906259486        0.2539616068    
H          2.952774312         1.692157347       -0.5133811539    
O         0.5569655569        0.6749540666         2.526540113    
H          1.525547627        0.6449927321         2.585063189    
H         0.3508104691        0.4082561498         1.603058674    
O         -3.054413768       -0.7453016845        -2.170711623    
H         -2.829708404        0.1098110581        -1.752367499    
H         -2.264848253       -0.9750894505        -2.684961542    
    63
Energy=    -106.839313823170    
O         0.8008111246         1.275497605        -3.581671234    
H          1.353028205        0.9929954146        -2.800931363    
H          1.412764088         1.537556492        -4.269418091    
O        -0.5597462849         3.087517794         2.165325631    
H         -1.470352346         2.823669816         1.950382833    
H        -0.1278831721         2.257680440         2.457514885    
O        -0.6129564547         3.221050902        -2.092676760    
H        -0.1163492738         2.633209347        -2.681256218    
H        -0.1665394947E-01     3.444550082        -1.352572911    
O         0.8812316384         3.816981457        0.1300900807    
H         0.3081112737         3.523799879        0.8998162977    
H         0.9890076388         4.762477016        0.2358572540    
O         -3.252857503       -0.4594794990         2.218449987    
H         -2.503088152       -0.7775710045         2.767712684    
H         -3.290363035        -1.049205489         1.449144021    
O         -2.054161426         1.375718416       -0.8817712619    
H         -1.638360342         2.135404694        -1.356162462    
H         -2.470396286         1.727643283       -0.7386444938E-01
O         -1.047923300        -1.285130898         3.526531443    
H        -0.4827232615       -0.5089074005         3.359446726    
H        -0.5535353098        -2.032074580         3.160064064    
O         0.6364382026        -3.151081281         2.259698003    
H          1.465853438        -2.682068670         1.976338994    
H         0.9166079187        -3.994638921         2.614108480    
O        -0.6708641509        -2.609344094       -0.2543709899E-01
H         -1.640029673        -2.579761656        0.7516697341E-01
H        -0.2922357352        -2.904808821        0.8242819658    
O          2.946393067        -2.089736079        -1.412960808    
H          2.092122972        -2.462703728        -1.773403901    
H          3.649905915        -2.637691871        -1.759734501    
O          2.123311192        0.4742774901        -1.486461359    
H          2.562083496       -0.3933438676        -1.531863865    
H          1.341255317        0.3235718675       -0.8926614274    
O        -0.7179259623       -0.9654047978        -3.716684316    
H        -0.9982853936        -1.047846470        -4.628682644    
H        -0.2390539160       -0.1125053250        -3.645334245    
O         -3.328161861        -2.178175691        0.2650783109E-02
H         -3.277090640        -1.638340764       -0.8352463678    
H         -4.089548511        -2.750311341       -0.8865897391E-01
O          3.261232142        0.6154774094         2.186218436    
H          3.972648982        0.8581147663         2.777821360    
H          3.267513857         1.284139906         1.444582442    
O         -3.039952979         2.044210785         1.537576848    
H         -3.870209818         2.445771458         1.792330505    
H         -3.091698718         1.091231412         1.840804397    
O          2.837657193        -2.008674980         1.380841215    
H          2.994090206        -1.091733304         1.663243206    
H          2.868422581        -2.008279027        0.4095895195    
O         0.1571432353E-01   -0.2246744301E-01   -0.4167409673E-02
H        -0.7690387670        0.4803657448       -0.3302808002    
H        -0.2258057240       -0.9735972919       -0.4696789942E-01
O         0.6654573058        -2.958203730        -2.341914665    
H         0.2169918267        -2.294229055        -2.890284601    
H         0.1454529327        -2.987403160        -1.516822367    
O          3.180451996         2.316275355        0.2003099704    
H          2.405280474         2.905788895        0.2540557951    
H          2.953064508         1.691404770       -0.5128386168    
O         0.5569168291        0.6744353985         2.528211169    
H          1.525605223        0.6444470521         2.587331877    
H         0.3507359372        0.4078106519         1.604752850    
O         -3.055728820       -0.7442480411        -2.170073096    
H         -2.830581606        0.1108081165        -1.751539797    
H         -2.266088331       -0.9741578344        -2.684397703    
    63
Energy=    -106.839313353940    
O         0.8002413490         1.274969206        -3.581477712    
H          1.352473258        0.9926578960        -2.800770452    
H          1.412128112         1.536225316        -4.269609505    
O        -0.5598148786         3.087382565         2.165522046    
H         -1.470338342         2.823756819         1.950690981    
H        -0.1280573142         2.257405423         2.457915470    
O        -0.6124229481         3.221196960        -2.092655879    
H        -0.1161308036         2.633241171        -2.681329188    
H        -0.1620835069E-01     3.444468624        -1.352466061    
O         0.8813592181         3.816876462        0.1304070872    
H         0.3082499573         3.523616713        0.9000764178    
H         0.9881358191         4.762525529        0.2357872962    
O         -3.252668155       -0.4593064729         2.218074459    
H         -2.503011885       -0.7776146196         2.767465265    
H         -3.290096169        -1.048897134         1.448936865    
O         -2.054034616         1.375945617       -0.8817748128    
H         -1.638140639         2.135649663        -1.356340766    
H         -2.470485099         1.728071989       -0.7414232581E-01
O         -1.048265228        -1.285413003         3.526343163    
H        -0.4827076797       -0.5091021517         3.359733499    
H        -0.5535778551        -2.032307722         3.159869800    
O         0.6365240142        -3.150864784         2.259576930    
H          1.465832838        -2.681850446         1.976035762    
H         0.9167082104        -3.994556019         2.613828887    
O        -0.6709349270        -2.609062650       -0.2566984641E-01
H         -1.639887174        -2.579335978        0.7494057670E-01
H        -0.2922394560        -2.904603009        0.8241506061    
O          2.946530071        -2.089430450        -1.413059532    
H          2.092323108        -2.462704056        -1.773226015    
H          3.650247703        -2.636822901        -1.760459305    
O          2.123187426        0.4745232846        -1.486564150    
H          2.561864303       -0.3931821967        -1.532137972    
H          1.341161396        0.3239897036       -0.8926779898    
O        -0.7182759299       -0.9660142285        -3.716695492    
H        -0.9985158843        -1.048112369        -4.628762790    
H        -0.2394372906       -0.1130839554        -3.645086869    
O         -3.328215775        -2.178203419        0.2526743682E-02
H         -3.277305383        -1.638224390       -0.8353047047    
H         -4.089447766        -2.750378149       -0.8873736027E-01
O          3.261376640        0.6153705943         2.186602897    
H          3.972880167        0.8579660521         2.778129975    
H          3.267567615         1.284075778         1.445014070    
O         -3.040002995         2.044468293         1.537269707    
H         -3.870335115         2.445789066         1.792123231    
H         -3.091638225         1.091512643         1.840578224    
O          2.837796053        -2.008459284         1.380757001    
H          2.994402743        -1.091611894         1.663386045    
H          2.868637921        -2.008082021        0.4094606789    
O         0.1570411847E-01   -0.2216890372E-01   -0.4050565398E-02
H        -0.7688924265        0.4809612366       -0.3299936996    
H        -0.2261440811       -0.9732776931       -0.4691340080E-01
O         0.6658849479        -2.958610166        -2.341779967    
H         0.2173270437        -2.294856175        -2.890399700    
H         0.1457063941        -2.987700940        -1.516695310    
O          3.180582863         2.316048818        0.2002731566    
H          2.405623282         2.905790733        0.2541573065    
H          2.953075840         1.691133180       -0.5127208836    
O         0.5567833642        0.6741539201         2.528558491    
H          1.525790496        0.6443126137         2.587536045    
H         0.3507376121        0.4078490459         1.605215094    
O         -3.056054612       -0.7441476703        -2.170024769    
H         -2.830784782        0.1109545162        -1.751523592    
H         -2.266260997       -0.9741469808        -2.684383680    
    63
Energy=    -106.839311973450    
O         0.7984604763         1.273748299        -3.580803402    
H          1.350998096        0.9918659078        -2.799966442    
H          1.410262000         1.531710827        -4.270352135    
O        -0.5595574386         3.086953888         2.166043688    
H         -1.470650054         2.824096479         1.951754509    
H        -0.1287437766         2.256861247         2.459061205    
O        -0.6115562285         3.221697646        -2.092806479    
H        -0.1156580790         2.633611493        -2.681548019    
H        -0.1522371178E-01     3.444757158        -1.352510235    
O         0.8816040112         3.816346785        0.1310966816    
H         0.3084405503         3.522906298        0.9006016887    
H         0.9854615851         4.762404683        0.2353738996    
O         -3.252038016       -0.4585069576         2.217251199    
H         -2.502926491       -0.7776434075         2.766766800    
H         -3.289332050        -1.048339495         1.448023853    
O         -2.053472683         1.376860019       -0.8820772851    
H         -1.637625845         2.136299514        -1.356765428    
H         -2.470792421         1.729348766       -0.7485972455E-01
O         -1.048930480        -1.286245977         3.525601978    
H        -0.4830784020       -0.5100562642         3.360608007    
H        -0.5537128095        -2.032832202         3.159394158    
O         0.6367966512        -3.150169746         2.259461819    
H          1.465928913        -2.681172016         1.975145950    
H         0.9168646110        -3.994200687         2.612886651    
O        -0.6709280285        -2.608181300       -0.2606589927E-01
H         -1.640150926        -2.578435863        0.7452893259E-01
H        -0.2924870374        -2.904225220        0.8234703006    
O          2.946959496        -2.088851928        -1.413117250    
H          2.092664856        -2.462532077        -1.772889202    
H          3.651086907        -2.634337803        -1.762525717    
O          2.122833647        0.4750164918        -1.486755954    
H          2.561278705       -0.3927742757        -1.532718866    
H          1.340755154        0.3250989244       -0.8926597339    
O        -0.7186824914       -0.9676849881        -3.716859288    
H        -0.9991176019        -1.048323448        -4.629097907    
H        -0.2405636877       -0.1145103820        -3.643691842    
O         -3.328021629        -2.178104789        0.2066980193E-02
H         -3.277860233        -1.637822437       -0.8356239496    
H         -4.089147414        -2.750666164       -0.8890184997E-01
O          3.261708568        0.6151189366         2.187773479    
H          3.973512922        0.8574372697         2.779047107    
H          3.267740378         1.283780867         1.446236394    
O         -3.040159483         2.045196174         1.536534785    
H         -3.870780057         2.445748581         1.791571381    
H         -3.091462830         1.092362390         1.840133558    
O          2.838004281        -2.007788491         1.380291184    
H          2.995507538        -1.091335261         1.663840009    
H          2.869306415        -2.007402039        0.4090333555    
O         0.1584143934E-01   -0.2127492360E-01   -0.3661714858E-02
H        -0.7683823140        0.4828847757       -0.3288982701    
H        -0.2269889594       -0.9721327130       -0.4673487997E-01
O         0.6672897707        -2.959705804        -2.341416379    
H         0.2182931826        -2.296694015        -2.890610221    
H         0.1468046446        -2.988538444        -1.516655967    
O          3.181256348         2.315252690        0.2003876983    
H          2.406866812         2.905803423        0.2540358499    
H          2.953378936         1.689910098       -0.5123681061    
O         0.5571789698        0.6733962126         2.530038417    
H          1.525886552        0.6439076607         2.587732971    
H         0.3506905689        0.4078238670         1.606379614    
O         -3.056701256       -0.7438190216        -2.170073000    
H         -2.831359840        0.1111486902        -1.751500795    
H         -2.267059607       -0.9742903208        -2.684148679    
    63
Energy=    -106.839303527440    
O         0.7941184761         1.268981652        -3.580841197    
H          1.347643278        0.9902044775        -2.799564263    
H          1.404736787         1.530553373        -4.269812179    
O        -0.5598602971         3.085471306         2.170517481    
H         -1.471128083         2.823454034         1.955652815    
H        -0.1295302892         2.254883196         2.462709007    
O        -0.6058654986         3.221708634        -2.096367335    
H        -0.1118338207         2.630167528        -2.683264959    
H        -0.9644434466E-02     3.444046177        -1.355794654    
O         0.8803062439         3.814034112        0.1326667825    
H         0.3083667927         3.518905064        0.9022413451    
H         0.9793067511         4.760652834        0.2365444276    
O         -3.250514753       -0.4567762543         2.213263760    
H         -2.502636277       -0.7758686907         2.764309176    
H         -3.287879474        -1.048220883         1.445144907    
O         -2.052278070         1.380701675       -0.8850362149    
H         -1.634168815         2.139867074        -1.358416233    
H         -2.469411115         1.732775773       -0.7742540129E-01
O         -1.050000073        -1.289937877         3.525276861    
H        -0.4856873081       -0.5128122257         3.360690546    
H        -0.5538820516        -2.035275066         3.157751872    
O         0.6373320160        -3.148534407         2.256684341    
H          1.467059842        -2.678945579         1.975283319    
H         0.9166922753        -3.992321537         2.611240108    
O        -0.6711468683        -2.604616980       -0.2822853580E-01
H         -1.640454745        -2.578783552        0.7280115924E-01
H        -0.2919096749        -2.901563323        0.8206473191    
O          2.947711696        -2.084933640        -1.415363057    
H          2.094254727        -2.461415210        -1.774329908    
H          3.653209622        -2.625791763        -1.769017138    
O          2.119255067        0.4766928799        -1.484390175    
H          2.558544178       -0.3906380227        -1.531755097    
H          1.337629669        0.3253087082       -0.8896362583    
O        -0.7215294451       -0.9764433189        -3.715022223    
H         -1.005016791        -1.054037546        -4.626637542    
H        -0.2460872367       -0.1222757798        -3.640174068    
O         -3.327379271        -2.177195516        0.6754824493E-03
H         -3.280087795        -1.636507195       -0.8370767745    
H         -4.087714992        -2.751153070       -0.8771384898E-01
O          3.262798650        0.6149467999         2.189941935    
H          3.975309891        0.8577156325         2.780157226    
H          3.268535894         1.283141946         1.447931298    
O         -3.039820430         2.047636894         1.535014078    
H         -3.872270807         2.445725312         1.787828007    
H         -3.090207518         1.094230540         1.836671915    
O          2.839254698        -2.005832244         1.379421175    
H          2.996914641        -1.089892000         1.664702502    
H          2.870906780        -2.003737867        0.4082685266    
O         0.1508834565E-01   -0.1635459860E-01   -0.6481045398E-03
H        -0.7685293279        0.4879963020       -0.3272538222    
H        -0.2260770958       -0.9674829036       -0.4590917119E-01
O         0.6707501226        -2.963845033        -2.341639179    
H         0.2200280653        -2.302498418        -2.891381055    
H         0.1518357561        -2.991078102        -1.515871910    
O          3.183720511         2.313293806        0.2025135858    
H          2.411095719         2.906049520        0.2550431847    
H          2.953110802         1.685935901       -0.5079159353    
O         0.5584620284        0.6718493810         2.533115257    
H          1.527349554        0.6422658633         2.589527339    
H         0.3510142470        0.4070855106         1.609533849    
O         -3.060655287       -0.7395846206        -2.169866545    
H         -2.831384534        0.1147620089        -1.752289600    
H         -2.271239847       -0.9759330916        -2.681618718    
    63
Energy=    -106.839294799610    
O         0.7891026920         1.261977392        -3.580776443    
H          1.343223829        0.9879521345        -2.797783536    
H          1.399432497         1.526138641        -4.269418530    
O        -0.5589267789         3.083216255         2.175602026    
H         -1.470256184         2.821857406         1.961701489    
H        -0.1287917792         2.253391030         2.469583619    
O        -0.6017251182         3.224578540        -2.101094267    
H        -0.1118683522         2.630341263        -2.689468777    
H        -0.3159921522E-02     3.441234058        -1.360986219    
O         0.8807122951         3.808324109        0.1371438169    
H         0.3073922318         3.513106532        0.9057111468    
H         0.9786037691         4.755152939        0.2412886943    
O         -3.249263786       -0.4556909887         2.209661131    
H         -2.502459838       -0.7760948045         2.761549890    
H         -3.286971775        -1.047429349         1.441827682    
O         -2.048750211         1.385380227       -0.8876166613    
H         -1.631647793         2.144611217        -1.361507748    
H         -2.466352731         1.737374508       -0.8040883613E-01
O         -1.051782633        -1.291120990         3.522954775    
H        -0.4853974092       -0.5149296318         3.360355191    
H        -0.5555590372        -2.036838236         3.156753144    
O         0.6383104502        -3.147048014         2.254223244    
H          1.468668993        -2.678083968         1.973395880    
H         0.9164644169        -3.990346764         2.610443626    
O        -0.6678085177        -2.601723243       -0.3128984761E-01
H         -1.637308700        -2.576509067        0.6806578982E-01
H        -0.2887625683        -2.897249137        0.8182188590    
O          2.948679703        -2.079558065        -1.419540532    
H          2.096830078        -2.459269991        -1.779035504    
H          3.657052496        -2.616831857        -1.773286927    
O          2.115467162        0.4790710905        -1.481211348    
H          2.554945176       -0.3884667393        -1.527489359    
H          1.334121310        0.3287654483       -0.8857080656    
O        -0.7272409958       -0.9832605063        -3.709466690    
H         -1.013250736        -1.062994246        -4.619974602    
H        -0.2489412710       -0.1299614645        -3.637150168    
O         -3.326327767        -2.177002897       -0.1149420959E-02
H         -3.282155691        -1.633570394       -0.8373951365    
H         -4.087962587        -2.749644773       -0.8788518900E-01
O          3.264618799        0.6153932811         2.190944758    
H          3.976450234        0.8590005493         2.781655655    
H          3.270538732         1.283031613         1.448132027    
O         -3.039463707         2.048485996         1.530882174    
H         -3.872734901         2.446529578         1.781186362    
H         -3.089581776         1.095182943         1.833269750    
O          2.840398907        -2.003413809         1.378712204    
H          2.997269495        -1.087637452         1.664856384    
H          2.871947327        -1.999918921        0.4076396915    
O         0.1155204957E-01   -0.1422753388E-01    0.2896872773E-02
H        -0.7712101341        0.4894406386       -0.3276526369    
H        -0.2291438495       -0.9651955630       -0.4468460323E-01
O         0.6737724155        -2.968141723        -2.340896550    
H         0.2203006911        -2.310648234        -2.892532033    
H         0.1548748682        -2.992786199        -1.514850169    
O          3.185902247         2.312537759        0.2032376221    
H          2.413615048         2.905160279        0.2593902519    
H          2.951197707         1.685751108       -0.5059944757    
O         0.5588199801        0.6691216490         2.537069132    
H          1.527519462        0.6413882139         2.593710030    
H         0.3516310095        0.4086246367         1.612066312    
O         -3.063038076       -0.7363973099        -2.168828368    
H         -2.830171728        0.1189836879        -1.755450546    
H         -2.274888614       -0.9783552474        -2.680086562    
    63
Energy=    -106.839283243770    
O         0.7854051146         1.256742311        -3.580719638    
H          1.338862277        0.9828969483        -2.797292137    
H          1.396565646         1.522901541        -4.267785140    
O        -0.5588903620         3.081458367         2.181736626    
H         -1.469506530         2.819283836         1.964410345    
H        -0.1283214693         2.251375189         2.475311869    
O        -0.5967669890         3.227167340        -2.104537952    
H        -0.1115181760         2.629827672        -2.692958892    
H         0.1484904101E-02     3.438434873        -1.362568985    
O         0.8804886742         3.803239933        0.1403769448    
H         0.3076201212         3.508752697        0.9094376334    
H         0.9818969222         4.749460529        0.2458007697    
O         -3.249263140       -0.4552869597         2.207447863    
H         -2.502442215       -0.7760493046         2.759141078    
H         -3.286591026        -1.046321673         1.438982966    
O         -2.049528330         1.389726026       -0.8924978460    
H         -1.629171001         2.147977372        -1.364900976    
H         -2.463716521         1.741566657       -0.8318672396E-01
O         -1.052793649        -1.291457960         3.521865741    
H        -0.4850865148       -0.5159255054         3.360881557    
H        -0.5575923354        -2.037702455         3.154809659    
O         0.6393394658        -3.145532750         2.254074462    
H          1.469561675        -2.678085821         1.970388089    
H         0.9175385375        -3.989343212         2.609330202    
O        -0.6654766019        -2.600040485       -0.3310747519E-01
H         -1.634937948        -2.574591617        0.6518973301E-01
H        -0.2870531830        -2.895958668        0.8165291260    
O          2.949610353        -2.075663633        -1.420634164    
H          2.099578228        -2.458033737        -1.781227481    
H          3.659989480        -2.609044486        -1.776066269    
O          2.112070543        0.4828663842        -1.479608163    
H          2.550833830       -0.3848726641        -1.525243667    
H          1.331124222        0.3329131642       -0.8834334957    
O        -0.7302242357       -0.9899490062        -3.705473317    
H         -1.020821421        -1.071585536        -4.614494691    
H        -0.2518322124       -0.1368522367        -3.637646296    
O         -3.324822205        -2.177526190       -0.2191472472E-02
H         -3.282036210        -1.630865926       -0.8364826615    
H         -4.088625372        -2.747272151       -0.8907317327E-01
O          3.264327258        0.6172601383         2.192569438    
H          3.977097172        0.8597983492         2.782495968    
H          3.272596927         1.283561037         1.448565083    
O         -3.037471595         2.048821677         1.527897366    
H         -3.871934608         2.446843415         1.774273270    
H         -3.089268508         1.095356804         1.829382178    
O          2.840105861        -2.001558164         1.376907483    
H          2.998322040        -1.086157680         1.664296989    
H          2.872472199        -1.997941902        0.4060074474    
O         0.9442722814E-02   -0.1317081939E-01    0.4004731403E-02
H        -0.7720974730        0.4914886553       -0.3262939042    
H        -0.2319460182       -0.9644465896       -0.4367959811E-01
O         0.6755797461        -2.972715438        -2.341545008    
H         0.2206389355        -2.316045491        -2.893400360    
H         0.1585385203        -2.995361206        -1.514261963    
O          3.185786189         2.312905355        0.2048087197    
H          2.412483489         2.904606987        0.2637511318    
H          2.950973257         1.688594159       -0.5070560716    
O         0.5600827003        0.6697869521         2.539891243    
H          1.528956187        0.6399310774         2.596130131    
H         0.3513075123        0.4093038752         1.615474707    
O         -3.065706086       -0.7334800376        -2.168063262    
H         -2.831551195        0.1218373777        -1.755214392    
H         -2.277176474       -0.9770897963        -2.678015894    
    63
Energy=    -106.839281217620    
O         0.7854377705         1.255978456        -3.580623270    
H          1.339284409        0.9824226708        -2.797115714    
H          1.396605035         1.525194893        -4.266535926    
O        -0.5588267533         3.081203639         2.181843233    
H         -1.469144995         2.818801486         1.964344199    
H        -0.1284309784         2.251362886         2.475349910    
O        -0.5967842530         3.227259931        -2.105288567    
H        -0.1117317380         2.629079963        -2.693324808    
H         0.1640045856E-02     3.438072412        -1.363431409    
O         0.8801668227         3.802673902        0.1396573665    
H         0.3077187417         3.508120031        0.9091147109    
H         0.9820978331         4.748883766        0.2452735295    
O         -3.249234700       -0.4552985859         2.207251645    
H         -2.502421058       -0.7762117508         2.758891083    
H         -3.286535723        -1.046277650         1.438771676    
O         -2.049640527         1.390293533       -0.8928333127    
H         -1.628953788         2.148300627        -1.365381837    
H         -2.463374964         1.742084537       -0.8337217732E-01
O         -1.052781400        -1.291579064         3.521824302    
H        -0.4849940542       -0.5160918028         3.361022845    
H        -0.5579052627        -2.037758750         3.154619360    
O         0.6394910856        -3.145404978         2.254085671    
H          1.469679933        -2.678122145         1.969963977    
H         0.9174513520        -3.989262500         2.609294766    
O        -0.6652846139        -2.599681767       -0.3318754525E-01
H         -1.634817979        -2.574434484        0.6494541497E-01
H        -0.2869697534        -2.896073930        0.8164663819    
O          2.949610793        -2.075952324        -1.420560171    
H          2.099574995        -2.458139683        -1.781415122    
H          3.660357856        -2.608651082        -1.776404674    
O          2.111736023        0.4829255041        -1.479364000    
H          2.550792534       -0.3847381458        -1.524888787    
H          1.330800555        0.3332766089       -0.8830721459    
O        -0.7302688273       -0.9901267482        -3.705032836    
H         -1.021698720        -1.072208470        -4.613789620    
H        -0.2516866527       -0.1366934219        -3.637246986    
O         -3.324673893        -2.177686376       -0.2215478538E-02
H         -3.282018576        -1.630591581       -0.8362333055    
H         -4.088717545        -2.747135547       -0.8921816195E-01
O          3.264148859        0.6176060615         2.193048796    
H          3.977285184        0.8596791641         2.782629745    
H          3.272766936         1.283670597         1.448638788    
O         -3.037235884         2.048811650         1.527864538    
H         -3.871888202         2.446714363         1.773832023    
H         -3.089489829         1.095332232         1.829132142    
O          2.840036648        -2.001295384         1.376828077    
H          2.998500253        -1.086127760         1.664356608    
H          2.872620800        -1.997981465        0.4058401129    
O         0.9338753898E-02   -0.1338221914E-01    0.4554614674E-02
H        -0.7721014527        0.4917554787       -0.3260492900    
H        -0.2321057276       -0.9644038154       -0.4367821673E-01
O         0.6757319899        -2.973069254        -2.341934218    
H         0.2204342512        -2.316340153        -2.893326711    
H         0.1589827846        -2.995401909        -1.514605344    
O          3.185344611         2.312753662        0.2049351500    
H          2.412395593         2.904453739        0.2640107079    
H          2.951094318         1.689059676       -0.5071642980    
O         0.5601963795        0.6700887146         2.540283590    
H          1.529001142        0.6396570788         2.596326966    
H         0.3515430631        0.4092344326         1.615986669    
O         -3.066116657       -0.7331450549        -2.167762809    
H         -2.831914943        0.1220718654        -1.754745146    
H         -2.277606800       -0.9767981620        -2.677677229    
    63
Energy=    -106.839275234770    
O         0.7843743662         1.252650647        -3.580758786    
H          1.337472870        0.9796056082        -2.796244000    
H          1.395977068         1.526873758        -4.263812952    
O        -0.5585193182         3.080621774         2.183171563    
H         -1.468231424         2.817010425         1.964928300    
H        -0.1284498153         2.251053692         2.477984807    
O        -0.5956428082         3.227858083        -2.107144194    
H        -0.1114655216         2.627955924        -2.694771173    
H         0.2998665052E-02     3.436908517        -1.365055851    
O         0.8791825979         3.798947707        0.1399638131    
H         0.3077866616         3.505806440        0.9108365952    
H         0.9852012139         4.744669494        0.2460825815    
O         -3.249424295       -0.4550529000         2.205719992    
H         -2.502857902       -0.7758451690         2.757751432    
H         -3.286568242        -1.046408987         1.437451283    
O         -2.048803983         1.392432287       -0.8945317481    
H         -1.629045917         2.150367585        -1.368289087    
H         -2.462621850         1.745184164       -0.8575825081E-01
O         -1.053403371        -1.291561996         3.521422632    
H        -0.4849012809       -0.5164663478         3.362086515    
H        -0.5587914418        -2.037612999         3.153204997    
O         0.6398552467        -3.145537124         2.252830485    
H          1.469682221        -2.677508078         1.968896808    
H         0.9182915129        -3.988866392         2.608711130    
O        -0.6646777146        -2.599305821       -0.3312104243E-01
H         -1.634302064        -2.574721108        0.6457735244E-01
H        -0.2871241526        -2.896967367        0.8163291427    
O          2.949421834        -2.074969865        -1.420711515    
H          2.100001026        -2.459116769        -1.781247261    
H          3.661777932        -2.604896545        -1.777522179    
O          2.109690291        0.4844238622        -1.478409182    
H          2.549456063       -0.3829307884        -1.524391514    
H          1.328738950        0.3355264443       -0.8816297459    
O        -0.7308626532       -0.9929422146        -3.703404945    
H         -1.025926678        -1.076093341        -4.610612158    
H        -0.2529157627       -0.1389426022        -3.637673664    
O         -3.324066961        -2.177211967       -0.2419579026E-02
H         -3.280593534        -1.629565026       -0.8361278151    
H         -4.088757225        -2.745618430       -0.9006124966E-01
O          3.264681358        0.6180002384         2.193918844    
H          3.977742747        0.8597315375         2.783742149    
H          3.272141073         1.284391970         1.449843303    
O         -3.035751015         2.048259491         1.526325846    
H         -3.870821486         2.446746656         1.769730238    
H         -3.089276666         1.094730072         1.827678120    
O          2.840285989        -2.000863020         1.375381848    
H          2.998959873        -1.085544072         1.663133913    
H          2.872797951        -1.996989915        0.4046872004    
O         0.8021767385E-02   -0.1186589921E-01    0.7026417436E-02
H        -0.7726444555        0.4930417539       -0.3254404675    
H        -0.2322301219       -0.9630628738       -0.4396653857E-01
O         0.6779731277        -2.974471365        -2.343278220    
H         0.2208926615        -2.318638186        -2.893606221    
H         0.1620572764        -2.997691960        -1.515226739    
O          3.185398841         2.314091133        0.2054301176    
H          2.410285633         2.903199642        0.2659378167    
H          2.951975011         1.692018383       -0.5080721228    
O         0.5612454895        0.6696587587         2.542231504    
H          1.530105241        0.6393896806         2.596692557    
H         0.3517532039        0.4090285134         1.618001129    
O         -3.067625014       -0.7315860269        -2.166190430    
H         -2.834748167        0.1239052172        -1.752877632    
H         -2.278663822       -0.9744767015        -2.675844690    
    63
Energy=    -106.839260536690    
O         0.7804082516         1.248899361        -3.581003311    
H          1.330339625        0.9758510475        -2.794513333    
H          1.394875766         1.517500123        -4.263910162    
O        -0.5583813015         3.079448684         2.187243676    
H         -1.467624469         2.815531612         1.966421376    
H        -0.1275894910         2.250634507         2.484058382    
O        -0.5936270953         3.230091345        -2.109788294    
H        -0.1107193433         2.630278890        -2.697440866    
H         0.3653929749E-02     3.436799126        -1.365834378    
O         0.8790341862         3.791697486        0.1437913027    
H         0.3063599407         3.502340101        0.9153910300    
H         0.9922147760         4.736425722        0.2497813117    
O         -3.250532557       -0.4546743241         2.203371744    
H         -2.504006561       -0.7741854173         2.756057190    
H         -3.286726341        -1.046931608         1.435523269    
O         -2.048029966         1.395380004       -0.8979875131    
H         -1.630071228         2.153233033        -1.372801647    
H         -2.462419405         1.749047921       -0.8925721950E-01
O         -1.054734534        -1.291547574         3.520110551    
H        -0.4853125491       -0.5163455860         3.364087521    
H        -0.5596526410        -2.036715086         3.150849320    
O         0.6401676592        -3.146097416         2.250808878    
H          1.469149200        -2.676019375         1.968145506    
H         0.9210222311        -3.988503551         2.607359864    
O        -0.6643064158        -2.600820602       -0.3410396849E-01
H         -1.633712657        -2.575967705        0.6474803832E-01
H        -0.2873001279        -2.898099039        0.8157260124    
O          2.949443342        -2.070628892        -1.421301750    
H          2.101763869        -2.459512556        -1.780714785    
H          3.663466197        -2.598033665        -1.778085300    
O          2.106570401        0.4871674412        -1.477238601    
H          2.545072063       -0.3806351182        -1.523718930    
H          1.326620003        0.3384925829       -0.8794096684    
O        -0.7331919243       -0.9979189264        -3.700620900    
H         -1.031526882        -1.080888512        -4.607058090    
H        -0.2551991492       -0.1441555988        -3.638528576    
O         -3.322786416        -2.175586164       -0.2867484233E-02
H         -3.277071834        -1.628659091       -0.8371779101    
H         -4.088524407        -2.742460649       -0.9144356103E-01
O          3.266509566        0.6172910277         2.193484213    
H          3.977374145        0.8608168766         2.784910045    
H          3.271408483         1.286115129         1.451609339    
O         -3.033049490         2.047206149         1.522549399    
H         -3.868694557         2.447080374         1.762079192    
H         -3.087669373         1.093936223         1.825224074    
O          2.841108399        -2.000091776         1.372769268    
H          2.999196263        -1.084989637         1.660189500    
H          2.872615654        -1.994951459        0.4015980454    
O         0.6045628011E-02   -0.8471970644E-02    0.9095282206E-02
H        -0.7745153346        0.4956944750       -0.3245763584    
H        -0.2319853649       -0.9600096335       -0.4336156230E-01
O         0.6819216052        -2.977491397        -2.343404842    
H         0.2235868682        -2.322128179        -2.894513506    
H         0.1662674560        -3.002956299        -1.515671427    
O          3.186193599         2.317401085        0.2068675407    
H          2.406978473         2.901250478        0.2691350088    
H          2.955487969         1.695977990       -0.5086093279    
O         0.5632623860        0.6676324968         2.545258256    
H          1.532589770        0.6398967755         2.596919334    
H         0.3508448635        0.4089900972         1.621266306    
O         -3.069083653       -0.7287847888        -2.164652771    
H         -2.838704757        0.1271086853        -1.750870380    
H         -2.278291640       -0.9701976525        -2.672453876    
    63
Energy=    -106.839222832470    
O         0.7727968030         1.243050565        -3.582972648    
H          1.318885340        0.9787439457        -2.790959151    
H          1.390454188         1.485521736        -4.273619622    
O        -0.5587348881         3.079106337         2.197482700    
H         -1.466052341         2.813083593         1.971612756    
H        -0.1278380561         2.249650910         2.491638204    
O        -0.5924989327         3.235362312        -2.111560383    
H        -0.1053208172         2.637807710        -2.697065293    
H        -0.1406249003E-02     3.439974688        -1.362560164    
O         0.8743979505         3.781893184        0.1485957232    
H         0.3020356212         3.497509783        0.9227540524    
H          1.005814453         4.723526002        0.2608932447    
O         -3.252429699       -0.4522586081         2.201168464    
H         -2.507232339       -0.7720118383         2.755566223    
H         -3.288670495        -1.046708851         1.435054928    
O         -2.050341051         1.398670144       -0.9038236047    
H         -1.631969196         2.156713842        -1.377616573    
H         -2.462903358         1.751020411       -0.9351657991E-01
O         -1.057566824        -1.291952180         3.516978948    
H        -0.4882788296       -0.5154034471         3.368394392    
H        -0.5592694823        -2.034736918         3.147619290    
O         0.6425141783        -3.145719023         2.252433318    
H          1.469332719        -2.673458473         1.966837611    
H         0.9277078909        -3.988735238         2.604067633    
O        -0.6625069055        -2.602047662       -0.3722845248E-01
H         -1.632058197        -2.581009386        0.6147904431E-01
H        -0.2829078574        -2.900655119        0.8108840174    
O          2.950436615        -2.061916058        -1.422875163    
H          2.103483504        -2.454723493        -1.780689231    
H          3.667560776        -2.587762031        -1.775951568    
O          2.103831835        0.4915312062        -1.475278228    
H          2.539182382       -0.3780394293        -1.526165450    
H          1.326662027        0.3453716215       -0.8739398442    
O        -0.7362379741        -1.005726696        -3.700313206    
H         -1.038207213        -1.086450888        -4.606031024    
H        -0.2601696661       -0.1502460848        -3.638925425    
O         -3.319898191        -2.174573021       -0.5314559912E-02
H         -3.275354268        -1.625592840       -0.8387037768    
H         -4.088267334        -2.738272121       -0.9159531873E-01
O          3.268293091        0.6179061699         2.189356762    
H          3.974849186        0.8636234598         2.785308187    
H          3.274718014         1.288053217         1.448242133    
O         -3.027720932         2.047452095         1.516414606    
H         -3.864934579         2.445958695         1.750659861    
H         -3.083353425         1.093512911         1.817729770    
O          2.838166944        -1.999386113         1.368432780    
H          3.000203436        -1.085037385         1.655687794    
H          2.870739092        -1.994436781        0.3973444283    
O         0.9963197716E-03   -0.5867852231E-02    0.1292307524E-01
H        -0.7776064062        0.4977989007       -0.3251371804    
H        -0.2375361243       -0.9573489516       -0.4107479316E-01
O         0.6870259065        -2.983609619        -2.339091419    
H         0.2317139365        -2.327761506        -2.891329145    
H         0.1653061652        -3.010738398        -1.514780875    
O          3.189362969         2.321242909        0.2106373288    
H          2.402926932         2.896563973        0.2699382386    
H          2.965926980         1.695957051       -0.5029269789    
O         0.5663748527        0.6694743714         2.549360885    
H          1.535927693        0.6391725376         2.596494814    
H         0.3500020901        0.4102528763         1.626347061    
O         -3.067773457       -0.7237571322        -2.163822950    
H         -2.842122228        0.1345117870        -1.752089419    
H         -2.273951475       -0.9633181965        -2.667870767    
    63
Energy=    -106.839017165200    
O         0.7583308699         1.222721613        -3.588994071    
H          1.320067898        0.9820051588        -2.799192081    
H          1.355235288         1.355799612        -4.325929627    
O        -0.5627259953         3.082119674         2.228746951    
H         -1.470396647         2.816604938         2.001878856    
H        -0.1272855722         2.251785062         2.514211808    
O        -0.5875294418         3.260629709        -2.090389197    
H        -0.9123990623E-01     2.665418570        -2.670218653    
H        -0.7061067825E-02     3.460868096        -1.331030224    
O         0.8749745865         3.775751852        0.1785443695    
H         0.2944294622         3.489932000        0.9458134855    
H          1.025248079         4.711640509        0.3128972718    
O         -3.255123882       -0.4476630910         2.197065889    
H         -2.513388785       -0.7716079685         2.753274225    
H         -3.290724985        -1.039967196         1.429163014    
O         -2.047200028         1.405962540       -0.9155671827    
H         -1.625008135         2.164635970        -1.386702501    
H         -2.458673847         1.759543291       -0.1058871416    
O         -1.060146928        -1.289866647         3.514906854    
H        -0.4908638169       -0.5135093255         3.365542381    
H        -0.5607598894        -2.032469582         3.146515541    
O         0.6460367770        -3.142487242         2.249076232    
H          1.472049936        -2.669675702         1.961400366    
H         0.9324265781        -3.986270493         2.597084097    
O        -0.6566572142        -2.607729451       -0.3562688777E-01
H         -1.626468468        -2.591477290        0.5924184925E-01
H        -0.2807662363        -2.904293824        0.8151699356    
O          2.947414538        -2.036740708        -1.429650786    
H          2.104248683        -2.443299152        -1.781918497    
H          3.666541281        -2.566938644        -1.771364263    
O          2.088115957        0.5136392640        -1.473384287    
H          2.538453091       -0.3478213577        -1.518852470    
H          1.311668437        0.3594388692       -0.8713112714    
O        -0.7360578378        -1.026611561        -3.706819730    
H         -1.046282040        -1.109510566        -4.609014798    
H        -0.2627770559       -0.1670203729        -3.643280497    
O         -3.319242692        -2.165621398       -0.7711960874E-02
H         -3.275819751        -1.616389669       -0.8406954518    
H         -4.085922302        -2.731203427       -0.9417093731E-01
O          3.269480806        0.6174179957         2.185363591    
H          3.967513558        0.8655831991         2.790161896    
H          3.287887594         1.285162923         1.442092625    
O         -3.021326801         2.050224765         1.511479368    
H         -3.863315816         2.446822392         1.732680507    
H         -3.079178072         1.096799370         1.813826194    
O          2.836983201        -1.996303565         1.359725727    
H          3.002881164        -1.083754278         1.651428078    
H          2.858508387        -1.986291126        0.3882074822    
O        -0.9779969912E-02   -0.3803504115E-02    0.1707974097E-01
H        -0.7867369092        0.4980515473       -0.3297051596    
H        -0.2434752961       -0.9551836732       -0.4017485065E-01
O         0.6964370855        -2.990995617        -2.334885662    
H         0.2309870207        -2.347681227        -2.894439157    
H         0.1878272262        -3.005143231        -1.502107640    
O          3.194063226         2.313787878        0.2020290775    
H          2.407436183         2.888678326        0.2659339688    
H          2.973721819         1.695900398       -0.5196344817    
O         0.5680022607        0.6695631968         2.548197836    
H          1.537524356        0.6394759125         2.590129241    
H         0.3464237386        0.4168276483         1.624742300    
O         -3.062282406       -0.7268932321        -2.175236085    
H         -2.828103357        0.1346107093        -1.777117815    
H         -2.272086831       -0.9824212647        -2.679087907    
    63
Energy=    -106.838856532360    
O         0.7386040794         1.195992836        -3.611424549    
H          1.303759991        0.9753816762        -2.820801459    
H          1.336360562         1.282432598        -4.353133271    
O        -0.5668575279         3.083307381         2.249238833    
H         -1.473473396         2.818455105         2.018746226    
H        -0.1335110669         2.251348384         2.531611784    
O        -0.5696286096         3.270699839        -2.069033399    
H        -0.7133222298E-01     2.683866047        -2.652163325    
H         0.6523825130E-02     3.474748555        -1.306871462    
O         0.8758196736         3.783544742        0.2067959724    
H         0.3008129552         3.488354077        0.9752142909    
H          1.033075481         4.717348788        0.3469069677    
O         -3.256348282       -0.4466004779         2.196447412    
H         -2.512095564       -0.7691873596         2.749876516    
H         -3.288639440        -1.035458290         1.425463995    
O         -2.047730511         1.408428862       -0.9252982986    
H         -1.617728151         2.167334016        -1.386221830    
H         -2.456280991         1.757864250       -0.1108293265    
O         -1.060403056        -1.286922620         3.512247451    
H        -0.4894271381       -0.5131372955         3.359388663    
H        -0.5629397852        -2.033832833         3.148715094    
O         0.6478207517        -3.138130117         2.253593357    
H          1.473342873        -2.669317224         1.958091829    
H         0.9305843473        -3.986693950         2.594663609    
O        -0.6602289340        -2.606938763       -0.3228712218E-01
H         -1.630025757        -2.588197607        0.6289204733E-01
H        -0.2828490960        -2.901876521        0.8187043783    
O          2.945949797        -2.022533757        -1.429370574    
H          2.103861683        -2.422742742        -1.792072041    
H          3.668266065        -2.550579777        -1.768544938    
O          2.080953926        0.5197640238        -1.482584527    
H          2.531609394       -0.3428460092        -1.510714788    
H          1.302983672        0.3676661765       -0.8830412349    
O        -0.7404138849        -1.045131186        -3.708584017    
H         -1.044048788        -1.124745162        -4.613942184    
H        -0.2636776086       -0.1862779303        -3.644781527    
O         -3.315205362        -2.161296933       -0.1100893364E-01
H         -3.270699983        -1.615303355       -0.8462637010    
H         -4.083811933        -2.725021262       -0.9690058780E-01
O          3.270854914        0.6165168870         2.184441603    
H          3.965259260        0.8666872737         2.793124112    
H          3.284638180         1.280767010         1.438850108    
O         -3.019808950         2.053592132         1.511080279    
H         -3.863861439         2.449904438         1.725082920    
H         -3.079792934         1.101164547         1.815113293    
O          2.836221351        -1.992986359         1.354184375    
H          3.003558328        -1.083586196         1.651556068    
H          2.857518674        -1.974378922        0.3819912021    
O        -0.1012089169E-01   -0.2392503202E-02    0.5634238486E-02
H        -0.7928074901        0.4971460966       -0.3302954767    
H        -0.2419130560       -0.9553675666       -0.4044911853E-01
O         0.7047821222        -2.990536213        -2.331065379    
H         0.2273413567        -2.361867495        -2.895334314    
H         0.1927568273        -3.003106387        -1.499887660    
O          3.204232866         2.320270971        0.1921187535    
H          2.415249201         2.888710923        0.2761069200    
H          2.963273605         1.704263171       -0.5244343331    
O         0.5668931764        0.6722033895         2.543416259    
H          1.536992887        0.6400683016         2.582607103    
H         0.3427459436        0.4174604938         1.621537297    
O         -3.059176972       -0.7355809104        -2.184347068    
H         -2.817674917        0.1265386867        -1.790756160    
H         -2.273622927       -0.9985003512        -2.689490871    
    63
Energy=    -106.838749592840    
O         0.7320807873         1.179351237        -3.623958851    
H          1.294486330        0.9608871840        -2.829007302    
H          1.326643161         1.253722433        -4.372486129    
O        -0.5692031205         3.083450039         2.261555314    
H         -1.474817167         2.820278319         2.025340596    
H        -0.1373594720         2.249599260         2.541223866    
O        -0.5586626592         3.274466818        -2.058475133    
H        -0.5401659816E-01     2.693715711        -2.641776117    
H         0.1513768361E-01     3.482996497        -1.295678998    
O         0.8806070670         3.786081478        0.2225496883    
H         0.3044477684         3.493279065        0.9906895229    
H          1.034302964         4.719340169        0.3651403848    
O         -3.256680738       -0.4458256124         2.195876121    
H         -2.510593448       -0.7670040485         2.748339315    
H         -3.287500166        -1.032698172         1.423772632    
O         -2.050072768         1.408603288       -0.9287896019    
H         -1.615188897         2.169699881        -1.383124780    
H         -2.455354532         1.754931629       -0.1128219545    
O         -1.060092198        -1.286800222         3.510577608    
H        -0.4878813661       -0.5122297993         3.355504140    
H        -0.5641974209        -2.033681894         3.150685170    
O         0.6473498813        -3.138038428         2.254913075    
H          1.473430345        -2.669401284         1.959193505    
H         0.9297443216        -3.985505803         2.593495540    
O        -0.6613586707        -2.606891988       -0.3113744903E-01
H         -1.631718414        -2.582413338        0.6425291564E-01
H        -0.2840624054        -2.898173964        0.8204826485    
O          2.947078963        -2.012689688        -1.430983375    
H          2.105194409        -2.412723439        -1.795544656    
H          3.669923602        -2.541716240        -1.766697799    
O          2.074715300        0.5223009767        -1.491432439    
H          2.527321061       -0.3395203897        -1.511399612    
H          1.297424962        0.3743023132       -0.8895293429    
O        -0.7401167867        -1.060497173        -3.710150522    
H         -1.042181757        -1.131896863        -4.616557839    
H        -0.2680909489       -0.1987163333        -3.640944310    
O         -3.314006436        -2.160421626       -0.1276751809E-01
H         -3.265290597        -1.616542711       -0.8499560037    
H         -4.082728357        -2.721309971       -0.9831387237E-01
O          3.270359508        0.6156596523         2.182411872    
H          3.963621990        0.8691255568         2.791475531    
H          3.284915150         1.280288994         1.437422372    
O         -3.019111092         2.054443605         1.509370218    
H         -3.864176651         2.451890667         1.721886287    
H         -3.080734179         1.103298426         1.815865229    
O          2.836805147        -1.992471161         1.350195096    
H          3.003031784        -1.082540534         1.652293043    
H          2.858393566        -1.968166734        0.3798318282    
O        -0.1021255126E-01   -0.3542883741E-02    0.3662208951E-03
H        -0.7951922485        0.4954365153       -0.3311525173    
H        -0.2430940590       -0.9564934512       -0.4079513930E-01
O         0.7052954090        -2.988287088        -2.328049339    
H         0.2239726457        -2.365110925        -2.898038505    
H         0.1916715535        -3.004825184        -1.499244412    
O          3.205785320         2.322207871        0.1903665339    
H          2.420557906         2.893782684        0.2842004115    
H          2.958542306         1.707278984       -0.5253232603    
O         0.5667350253        0.6717093876         2.540641831    
H          1.536505901        0.6408171532         2.579598024    
H         0.3396588921        0.4185839303         1.618917028    
O         -3.058667737       -0.7392350497        -2.189127250    
H         -2.813597166        0.1207444229        -1.796151937    
H         -2.273269000        -1.006144551        -2.695508122    
    63
Energy=    -106.838556331040    
O         0.7168963167         1.154481532        -3.647917593    
H          1.270981494        0.9430975710        -2.846200146    
H          1.313189415         1.195803477        -4.395652560    
O        -0.5747161047         3.082950584         2.286357404    
H         -1.477515416         2.824233628         2.034072375    
H        -0.1449503217         2.245070868         2.557400684    
O        -0.5360442780         3.276743925        -2.033324356    
H        -0.2860966617E-01     2.713284094        -2.632135944    
H         0.4096769205E-01     3.481575292        -1.273818644    
O         0.8963874701         3.794908234        0.2628465028    
H         0.3100139693         3.504674844         1.023662129    
H          1.035330369         4.733057921        0.3987022217    
O         -3.254487086       -0.4414341017         2.193807272    
H         -2.508869271       -0.7629986385         2.746319312    
H         -3.285740208        -1.028905129         1.421779572    
O         -2.052005322         1.409051757       -0.9340625876    
H         -1.608605165         2.170887948        -1.375209255    
H         -2.457913993         1.748464383       -0.1155501395    
O         -1.060453585        -1.282725337         3.508548307    
H        -0.4856645414       -0.5126712267         3.349167232    
H        -0.5640245040        -2.034346822         3.153576260    
O         0.6467433249        -3.136846372         2.255093898    
H          1.473011442        -2.668394354         1.962589913    
H         0.9296194718        -3.986269040         2.593373978    
O        -0.6620216470        -2.602214038       -0.2986215270E-01
H         -1.631252881        -2.572331957        0.6704808796E-01
H        -0.2875971996        -2.890965172        0.8243368445    
O          2.949683593        -1.997874874        -1.433358184    
H          2.109523673        -2.400600462        -1.797208644    
H          3.673884363        -2.526355858        -1.766361456    
O          2.069296214        0.5326712552        -1.502163170    
H          2.519856525       -0.3314137974        -1.523913859    
H          1.289752378        0.3841151509       -0.9065172103    
O        -0.7392772631        -1.087489371        -3.722037000    
H         -1.042218762        -1.153804344        -4.626314622    
H        -0.2820903716       -0.2200775754        -3.638306634    
O         -3.312578575        -2.156480983       -0.1475651286E-01
H         -3.259018116        -1.620161349       -0.8556254234    
H         -4.083136471        -2.717363283       -0.9994573727E-01
O          3.267980489        0.6178988742         2.177949217    
H          3.960454929        0.8741524549         2.785668326    
H          3.287576709         1.282610800         1.431620938    
O         -3.019694559         2.056092142         1.503927568    
H         -3.862323304         2.456254672         1.716263870    
H         -3.081649243         1.105729522         1.815288722    
O          2.837025279        -1.989779206         1.347700317    
H          3.001314475        -1.082538477         1.653673699    
H          2.860025684        -1.959303025        0.3756813312    
O        -0.1487847839E-01   -0.3593986245E-02    0.2046861716E-02
H        -0.7957742594        0.4933892183       -0.3402247188    
H        -0.2432698093       -0.9584899314       -0.4770769274E-01
O         0.7051333685        -2.987555452        -2.324064155    
H         0.2225495849        -2.371755294        -2.897998440    
H         0.1886133444        -3.008099522        -1.496049309    
O          3.200016040         2.317282583        0.1963477679    
H          2.430517482         2.906160724        0.2976175074    
H          2.947564373         1.716327041       -0.5293863008    
O         0.5634399175        0.6685838060         2.533958154    
H          1.533536688        0.6407068706         2.571960909    
H         0.3389936923        0.4216673851         1.609773877    
O         -3.054545506       -0.7462692798        -2.199924041    
H         -2.810841255        0.1140283294        -1.804020340    
H         -2.271601502        -1.016091031        -2.705034750    
    63
Energy=    -106.837649086550    
O         0.6618048308         1.063726735        -3.733488141    
H          1.213102909        0.9068292776        -2.919737783    
H          1.275539005         1.119912925        -4.466123311    
O        -0.5997483081         3.077883516         2.359631265    
H         -1.487868170         2.825816925         2.053265473    
H        -0.1704535296         2.227493924         2.589018697    
O        -0.3867936862         3.225845382        -1.904700635    
H         0.1061484970         2.693352227        -2.539886462    
H         0.1909126423         3.406027652        -1.138601740    
O         0.9404289990         3.883544868        0.4251065384    
H         0.3382020722         3.574413862         1.165860879    
H          1.024238669         4.829613785        0.5449818315    
O         -3.241684587       -0.4227621670         2.184534247    
H         -2.500962404       -0.7473989034         2.742009781    
H         -3.281360085        -1.018844509         1.419853904    
O         -2.053625513         1.407833570       -0.9592890301    
H         -1.557664847         2.160886034        -1.356298933    
H         -2.469034702         1.743394687       -0.1430727648    
O         -1.058081626        -1.277185161         3.508231972    
H        -0.4842443795       -0.5088050228         3.333425713    
H        -0.5640156631        -2.033161321         3.161442823    
O         0.6482495187        -3.138193599         2.260323156    
H          1.470915813        -2.663446604         1.967057724    
H         0.9367612072        -3.987593901         2.592981909    
O        -0.6613903439        -2.583042324       -0.1858474284E-01
H         -1.631376163        -2.556192999        0.7219166733E-01
H        -0.2874707438        -2.872807498        0.8355093996    
O          2.947975598        -1.948042381        -1.442353797    
H          2.114727250        -2.387302316        -1.777393157    
H          3.680872576        -2.455640138        -1.788816828    
O          2.028133404        0.5855487267        -1.571088587    
H          2.514793824       -0.2575579355        -1.589253767    
H          1.270589943        0.4102208602       -0.9512961912    
O        -0.7862780766        -1.195373919        -3.784210357    
H         -1.076824320        -1.336123837        -4.682445514    
H        -0.3435283840       -0.3142354392        -3.764420976    
O         -3.322297880        -2.150205055       -0.1548318643E-01
H         -3.278524294        -1.619078622       -0.8596101437    
H         -4.086644878        -2.720480517       -0.9110453139E-01
O          3.261339118        0.6260321252         2.171970085    
H          3.959814704        0.8875400785         2.770408338    
H          3.272032376         1.284512212         1.419867156    
O         -3.012725216         2.066507701         1.469832654    
H         -3.849032337         2.470848449         1.698973723    
H         -3.071284933         1.117688923         1.786364222    
O          2.829111794        -1.980102897         1.349558146    
H          2.996253038        -1.074362574         1.660767815    
H          2.852990167        -1.945342820        0.3783845506    
O        -0.9779592610E-02    0.1058691655E-01   -0.3944409120E-01
H        -0.8029875260        0.4944629867       -0.3754100413    
H        -0.2328316112       -0.9453081245       -0.7373348172E-01
O         0.7208461890        -3.009780159        -2.294538026    
H         0.2277629843        -2.419383645        -2.887023123    
H         0.2013903101        -3.014759154        -1.468455477    
O          3.168919876         2.327057266        0.1994938405    
H          2.425992987         2.941620157        0.3501250354    
H          2.879983038         1.759483050       -0.5391303988    
O         0.5554216834        0.6616157578         2.500805943    
H          1.525039389        0.6379611916         2.549705236    
H         0.3391032646        0.4283566001         1.571014710    
O         -3.065173459       -0.7529861705        -2.213693003    
H         -2.823169918        0.1135279482        -1.834404404    
H         -2.286029399        -1.023889006        -2.726096327    
    63
Energy=    -106.837535833950    
O         0.6589378170         1.080844774        -3.741500842    
H          1.201714775        0.8996588430        -2.925664483    
H          1.277528294         1.120346375        -4.470824045    
O        -0.6012344166         3.077139332         2.362252471    
H         -1.488840447         2.825360850         2.053982800    
H        -0.1706670351         2.226795453         2.589026938    
O        -0.3771099271         3.223954562        -1.894153700    
H         0.1153169419         2.684789853        -2.525052147    
H         0.2038061071         3.394812697        -1.130169995    
O         0.9419718078         3.891473075        0.4354548283    
H         0.3390185945         3.579711091         1.174515553    
H          1.022644437         4.837793409        0.5557331216    
O         -3.241220879       -0.4220965416         2.183607931    
H         -2.500568410       -0.7464006824         2.741262114    
H         -3.281118717        -1.018639243         1.419314254    
O         -2.053604572         1.407839518       -0.9618657732    
H         -1.551091823         2.157384524        -1.357852090    
H         -2.468674710         1.746379399       -0.1465986200    
O         -1.057565177        -1.277089723         3.509239119    
H        -0.4845270645       -0.5086036448         3.332611375    
H        -0.5640919698        -2.032909092         3.161298784    
O         0.6483351899        -3.137909823         2.261644821    
H          1.470498382        -2.663526904         1.966714007    
H         0.9377202776        -3.987765411         2.592706693    
O        -0.6611381587        -2.583203876       -0.1844741716E-01
H         -1.631076622        -2.556733488        0.7250927649E-01
H        -0.2882536302        -2.872891613        0.8360784160    
O          2.947058063        -1.942650712        -1.443373818    
H          2.113908850        -2.383113043        -1.776769914    
H          3.680176568        -2.449910521        -1.790272600    
O          2.032216523        0.5858319021        -1.575019896    
H          2.517221741       -0.2590630419        -1.584968222    
H          1.270996959        0.4154619498       -0.9590933866    
O        -0.7875574015        -1.204185467        -3.792688759    
H         -1.086102252        -1.359379028        -4.688646452    
H        -0.3430556850       -0.3251786191        -3.775250182    
O         -3.322799480        -2.150352664       -0.1437002182E-01
H         -3.281424223        -1.617596119       -0.8572569202    
H         -4.086704082        -2.721381377       -0.9039807963E-01
O          3.261482878        0.6257334654         2.172225704    
H          3.960365536        0.8878911290         2.770207986    
H          3.269850589         1.284483748         1.420638694    
O         -3.011662876         2.067721223         1.468873218    
H         -3.848380752         2.471445452         1.697869975    
H         -3.069763330         1.118684754         1.784417701    
O          2.829279228        -1.979985202         1.349659426    
H          2.995778872        -1.073985133         1.660357020    
H          2.851563808        -1.943379330        0.3786677307    
O        -0.8823956625E-02    0.1178601669E-01   -0.4494021873E-01
H        -0.8027275671        0.4969863805       -0.3781833379    
H        -0.2318518404       -0.9443005751       -0.7507325001E-01
O         0.7220602026        -3.011328272        -2.292072374    
H         0.2264665510        -2.425179863        -2.886556006    
H         0.2041366604        -3.014826359        -1.464933064    
O          3.167313864         2.330537924        0.1983527708    
H          2.423404521         2.942719562        0.3533124365    
H          2.874118220         1.763693705       -0.5389577940    
O         0.5549423439        0.6617687268         2.499442305    
H          1.524531476        0.6377502592         2.548243595    
H         0.3391057416        0.4286391838         1.569773673    
O         -3.068458112       -0.7510867924        -2.213631424    
H         -2.825337891        0.1154264618        -1.834678297    
H         -2.291527710        -1.025435838        -2.727222125    
    63
Energy=    -106.837488189660    
O         0.6583434528         1.077056229        -3.750564800    
H          1.203334354        0.8856018598        -2.939157234    
H          1.274621229         1.142635963        -4.476722872    
O        -0.6019730815         3.076800998         2.363756396    
H         -1.489244708         2.824791845         2.054646228    
H        -0.1706735820         2.226385012         2.589009999    
O        -0.3616840375         3.217243339        -1.889052649    
H         0.1363136595         2.668427111        -2.502437013    
H         0.2088366409         3.397210252        -1.118822540    
O         0.9413450603         3.897805222        0.4420097586    
H         0.3374606289         3.583347156         1.179627504    
H          1.022194775         4.844005124        0.5636609378    
O         -3.240723101       -0.4214137294         2.182879660    
H         -2.500114591       -0.7458005218         2.740510601    
H         -3.281075396        -1.018334368         1.418944681    
O         -2.053750657         1.409295366       -0.9643445058    
H         -1.546311599         2.155748405        -1.360055849    
H         -2.467772040         1.749790336       -0.1491613929    
O         -1.057456949        -1.277005654         3.509629722    
H        -0.4846143587       -0.5085309009         3.332485963    
H        -0.5641457547        -2.032727890         3.161318698    
O         0.6485404646        -3.137690054         2.262468577    
H          1.470358454        -2.663456843         1.966444086    
H         0.9380772903        -3.987989546         2.592441102    
O        -0.6614165552        -2.583580444       -0.1814207080E-01
H         -1.631375617        -2.557295743        0.7303384112E-01
H        -0.2889921977        -2.873237149        0.8366258565    
O          2.945959708        -1.936811845        -1.443269273    
H          2.112700292        -2.377181656        -1.776433449    
H          3.679251136        -2.443018538        -1.791707691    
O          2.034000785        0.5901981582        -1.575263483    
H          2.516953569       -0.2557927774        -1.584228545    
H          1.267662398        0.4190375887       -0.9656900813    
O        -0.7927735418        -1.213568341        -3.795065648    
H         -1.091527416        -1.377961930        -4.690531391    
H        -0.3426385714       -0.3382846547        -3.786389967    
O         -3.322920959        -2.150711126       -0.1357825799E-01
H         -3.282965348        -1.616757791       -0.8557547803    
H         -4.086599169        -2.722134892       -0.8986921385E-01
O          3.261828386        0.6258199359         2.172315251    
H          3.960990117        0.8879074553         2.770164946    
H          3.268237053         1.285017386         1.421197808    
O         -3.010544726         2.068570522         1.467932833    
H         -3.847610205         2.471721948         1.696766615    
H         -3.068470517         1.119196165         1.782431544    
O          2.829231030        -1.979972205         1.349162889    
H          2.995495702        -1.073989275         1.659910681    
H          2.850293768        -1.941895085        0.3782734206    
O        -0.9780838504E-02    0.1203506094E-01   -0.4570876232E-01
H        -0.8035482464        0.4971890721       -0.3795799386    
H        -0.2316107920       -0.9443769764       -0.7583567505E-01
O         0.7227354717        -3.011283751        -2.291009688    
H         0.2237996700        -2.428996152        -2.886308257    
H         0.2054574210        -3.014299579        -1.463439653    
O          3.164826689         2.332637008        0.1982792644    
H          2.420873297         2.943971927        0.3546205838    
H          2.869354403         1.766932557       -0.5390158874    
O         0.5545720487        0.6620634175         2.498692983    
H          1.524115965        0.6376232044         2.547337146    
H         0.3392210347        0.4284150670         1.569170201    
O         -3.072872520       -0.7496067784        -2.212340068    
H         -2.826788518        0.1168159412        -1.834983131    
H         -2.298499256        -1.026832837        -2.727776528    
    63
Energy=    -106.837420129980    
O         0.6582625265         1.074275543        -3.753818429    
H          1.204755335        0.8805234066        -2.944121725    
H          1.273295514         1.151607760        -4.478782047    
O        -0.6021924012         3.076713032         2.364235230    
H         -1.489352660         2.824589005         2.054872757    
H        -0.1706731635         2.226256695         2.589011308    
O        -0.3557902677         3.214354009        -1.887752888    
H         0.1440041211         2.662543456        -2.494194147    
H         0.2100787914         3.398915469        -1.114631589    
O         0.9410436118         3.899854484        0.4440475962    
H         0.3368080951         3.584563323         1.181180100    
H          1.022084238         4.846012291        0.5662554216    
O         -3.240537694       -0.4211700234         2.182633814    
H         -2.499957902       -0.7456167618         2.740261428    
H         -3.281074182        -1.018225878         1.418829565    
O         -2.053791129         1.409863120       -0.9651770952    
H         -1.544785450         2.155348813        -1.360836591    
H         -2.467421154         1.750988313       -0.1500076413    
O         -1.057449643        -1.276972629         3.509710051    
H        -0.4846324710       -0.5085088329         3.332491896    
H        -0.5641608910        -2.032674802         3.161344733    
O         0.6486138851        -3.137628174         2.262700362    
H          1.470331421        -2.663424588         1.966369058    
H         0.9381630386        -3.988059022         2.592351017    
O        -0.6615500913        -2.583725141       -0.1800474624E-01
H         -1.631523300        -2.557480092        0.7320701817E-01
H        -0.2892168964        -2.873371741        0.8368242886    
O          2.945575260        -1.934801058        -1.443162393    
H          2.112263454        -2.375074483        -1.776348004    
H          3.678913454        -2.440570339        -1.792201565    
O          2.034344140        0.5918542449        -1.575315287    
H          2.516709074       -0.2543077166        -1.584157594    
H          1.266339226        0.4201622900       -0.9678053675    
O        -0.7948194426        -1.216948325        -3.795557335    
H         -1.093040150        -1.383918138        -4.690764120    
H        -0.3426322409       -0.3429255084        -3.790385064    
O         -3.322952201        -2.150851457       -0.1333813392E-01
H         -3.283410703        -1.616494314       -0.8552969355    
H         -4.086554455        -2.722390282       -0.8968440224E-01
O          3.261931303        0.6258788455         2.172332686    
H          3.961192488        0.8879017135         2.770125592    
H          3.267754521         1.285245540         1.421372459    
O         -3.010161814         2.068835084         1.467583916    
H         -3.847328880         2.471793829         1.696387772    
H         -3.068046098         1.119350892         1.781756219    
O          2.829191304        -1.979946024         1.348944140    
H          2.995417450        -1.074010654         1.659792293    
H          2.849870485        -1.941435663        0.3780784419    
O        -0.1018587005E-01    0.1207504200E-01   -0.4572720844E-01
H        -0.8039049851        0.4970668061       -0.3799659227    
H        -0.2316015261       -0.9444126539       -0.7607580103E-01
O         0.7229314157        -3.011153165        -2.290729335    
H         0.2228166959        -2.430189691        -2.886242779    
H         0.2058220515        -3.014099884        -1.463030054    
O          3.163834931         2.333265685        0.1983496140    
H          2.420028019         2.944485656        0.3550128812    
H          2.867839922         1.767933462       -0.5390801044    
O         0.5544698680        0.6621529198         2.498445008    
H          1.524000723        0.6375904432         2.547086162    
H         0.3392371201        0.4283104682         1.568974011    
O         -3.074457822       -0.7491564570        -2.211825142    
H         -2.827234737        0.1172448180        -1.835115845    
H         -2.300972159        -1.027255360        -2.727922068    
    63
Energy=    -106.837208191110    
O         0.6582038747         1.037506111        -3.772619248    
H          1.222100419        0.8431370308        -2.981097523    
H          1.262483723         1.227534362        -4.498635276    
O        -0.6036185672         3.076247346         2.367790390    
H         -1.489894125         2.823149037         2.056432541    
H        -0.1705771888         2.225422856         2.589064925    
O        -0.3147048019         3.193113522        -1.874029181    
H         0.2091946476         2.613484710        -2.436578723    
H         0.2150398505         3.418383685        -1.083984440    
O         0.9382691415         3.913506054        0.4569652643    
H         0.3311283231         3.593704016         1.190401467    
H          1.021424179         4.858673178        0.5838650667    
O         -3.238969407       -0.4191919629         2.180911678    
H         -2.498800166       -0.7445571145         2.738628596    
H         -3.281219172        -1.017454234         1.418132107    
O         -2.053517895         1.415200562       -0.9713741809    
H         -1.535120386         2.154218327        -1.366324388    
H         -2.464085257         1.759851453       -0.1562537685    
O         -1.057832702        -1.276608334         3.509517643    
H        -0.4846063945       -0.5082527539         3.333097838    
H        -0.5642065668        -2.032435723         3.161868233    
O         0.6490322905        -3.137400601         2.263396801    
H          1.470512623        -2.663079209         1.966268160    
H         0.9384990297        -3.988360095         2.591742174    
O        -0.6629383091        -2.585080482       -0.1657279916E-01
H         -1.632970960        -2.558656147        0.7424080819E-01
H        -0.2904174155        -2.874431318        0.8382337069    
O          2.942581314        -1.920290418        -1.441988798    
H          2.109377143        -2.359679450        -1.775924635    
H          3.676268118        -2.422264874        -1.795688852    
O          2.029244447        0.6035222715        -1.580118728    
H          2.515300839       -0.2403490656        -1.584154079    
H          1.256839234        0.4281130833       -0.9802243114    
O        -0.8082877919        -1.240396698        -3.796745551    
H         -1.102227914        -1.424469394        -4.689686905    
H        -0.3438914692       -0.3747488695        -3.820666929    
O         -3.322932137        -2.152188850       -0.1206668416E-01
H         -3.285869537        -1.614811036       -0.8523569145    
H         -4.086162451        -2.724200381       -0.8824183989E-01
O          3.262099329        0.6266493928         2.172196722    
H          3.962339582        0.8878704417         2.769182687    
H          3.265460608         1.287502727         1.422488735    
O         -3.007501177         2.070384442         1.464463933    
H         -3.845134249         2.472094940         1.693712969    
H         -3.065215437         1.120291378         1.777150752    
O          2.828364868        -1.979461924         1.346880194    
H          2.995174467        -1.074277998         1.659565265    
H          2.847069764        -1.938701850        0.3759189455    
O        -0.1337408240E-01    0.1207879340E-01   -0.4513715135E-01
H        -0.8072657581        0.4942190037       -0.3813578965    
H        -0.2324702683       -0.9446177728       -0.7733395715E-01
O         0.7240895472        -3.008961927        -2.288698291    
H         0.2144589925        -2.438481568        -2.886667422    
H         0.2078059506        -3.012947120        -1.460655267    
O          3.155137477         2.336140041        0.2003784957    
H          2.414024051         2.950159357        0.3577898647    
H          2.859075090         1.773916785       -0.5398401798    
O         0.5541484112        0.6623645284         2.496807050    
H          1.523632172        0.6375774188         2.546035604    
H         0.3389214259        0.4274223847         1.567412024    
O         -3.087108169       -0.7459169941        -2.207252477    
H         -2.829986384        0.1199726319        -1.836177818    
H         -2.319883693        -1.030380103        -2.728576943    
    63
Energy=    -106.837025731230    
O         0.6668157197        0.9953014199        -3.797750868    
H          1.241612956        0.8197585310        -3.003355653    
H          1.246413515         1.292844371        -4.502270261    
O        -0.6043231273         3.076006516         2.369559834    
H         -1.490289681         2.822253685         2.057328725    
H        -0.1702098239         2.225167746         2.589226973    
O        -0.2902935217         3.179757373        -1.869042052    
H         0.2560602861         2.583663072        -2.392095008    
H         0.2152198752         3.430978642        -1.070880057    
O         0.9348783732         3.921184492        0.4617343115    
H         0.3277472517         3.598857635         1.194806230    
H          1.021420603         4.865262030        0.5939052608    
O         -3.237854789       -0.4178154197         2.179730393    
H         -2.498261112       -0.7438889342         2.737778919    
H         -3.281351547        -1.017084793         1.417719479    
O         -2.053008574         1.419241777       -0.9751653109    
H         -1.529753872         2.154867913        -1.369010891    
H         -2.461794007         1.764897426       -0.1597557725    
O         -1.058083089        -1.276377467         3.509158681    
H        -0.4844977269       -0.5081547479         3.333645309    
H        -0.5642076630        -2.032366580         3.162181828    
O         0.6492058673        -3.137190877         2.263581978    
H          1.470686982        -2.663107011         1.966209412    
H         0.9384959613        -3.988424882         2.591321213    
O        -0.6637796777        -2.585904614       -0.1557470227E-01
H         -1.633869501        -2.559203414        0.7491661695E-01
H        -0.2909919980        -2.874902663        0.8391588721    
O          2.940067855        -1.911092819        -1.441476654    
H          2.107317752        -2.351654265        -1.776305429    
H          3.674069513        -2.410822699        -1.797847712    
O          2.021344597        0.6113762057        -1.586191787    
H          2.513735715       -0.2293365239        -1.585013099    
H          1.250489597        0.4325488529       -0.9841587648    
O        -0.8210531737        -1.254630758        -3.796616579    
H         -1.107208958        -1.448967385        -4.689803428    
H        -0.3452917199       -0.3955025156        -3.829977121    
O         -3.323106318        -2.152718204       -0.1112414781E-01
H         -3.286978312        -1.614380453       -0.8512795294    
H         -4.085945566        -2.725242019       -0.8751093852E-01
O          3.261796873        0.6274712361         2.171932579    
H          3.962946413        0.8880863241         2.768043530    
H          3.264716694         1.288687546         1.422979377    
O         -3.006023789         2.070939817         1.462087682    
H         -3.843702616         2.472126592         1.692165739    
H         -3.063561872         1.120626368         1.774618209    
O          2.827694756        -1.979119634         1.345657411    
H          2.995120778        -1.074543296         1.659460070    
H          2.845619348        -1.937323681        0.3745852240    
O        -0.1557719726E-01    0.1125805915E-01   -0.4528969546E-01
H        -0.8107022709        0.4916611192       -0.3809397082    
H        -0.2338719480       -0.9459229091       -0.7700013653E-01
O         0.7243917514        -3.006204447        -2.288040018    
H         0.2104651283        -2.439879604        -2.887165162    
H         0.2082179044        -3.012563649        -1.460085956    
O          3.149837171         2.337744966        0.2016795925    
H          2.410452544         2.953796120        0.3592768766    
H          2.854507356         1.776132209       -0.5391061860    
O         0.5541865712        0.6625975990         2.496343020    
H          1.523649086        0.6376572656         2.545893138    
H         0.3384254470        0.4268173384         1.567202954    
O         -3.093548997       -0.7443482644        -2.204677090    
H         -2.832592358        0.1213867265        -1.836351533    
H         -2.329364334        -1.031524842        -2.729518703    
    63
Energy=    -106.836618077160    
O         0.6917272647        0.9292414426        -3.830117840    
H          1.263205248        0.7946457716        -3.037013665    
H          1.219529271         1.383342114        -4.500552193    
O        -0.6052100019         3.075589590         2.371448254    
H         -1.490832017         2.821206341         2.058404156    
H        -0.1694394125         2.225068100         2.589430174    
O        -0.2631483743         3.163599324        -1.866323472    
H         0.3175015595         2.550069985        -2.327405702    
H         0.2156452464         3.442799075        -1.061889001    
O         0.9290951889         3.930844096        0.4664041713    
H         0.3239760496         3.604430157         1.199797069    
H          1.021889091         4.873239369        0.6058459815    
O         -3.236453048       -0.4160402604         2.178131389    
H         -2.497727500       -0.7429938361         2.736754666    
H         -3.281486020        -1.016687848         1.417239957    
O         -2.052187042         1.424816509       -0.9800568476    
H         -1.522858856         2.156142147        -1.371820312    
H         -2.458861398         1.770695155       -0.1638725981    
O         -1.058311695        -1.276101422         3.508761511    
H        -0.4842934729       -0.5080733127         3.334256611    
H        -0.5642016809        -2.032281448         3.162472119    
O         0.6493398474        -3.136879865         2.263872837    
H          1.470973720        -2.663264451         1.966011512    
H         0.9384261333        -3.988463557         2.590757118    
O        -0.6646712576        -2.586720525       -0.1453643529E-01
H         -1.634652539        -2.559862548        0.7597217811E-01
H        -0.2919212473        -2.875263178        0.8402197486    
O          2.936090275        -1.899650275        -1.441726159    
H          2.104986225        -2.342810465        -1.776954028    
H          3.670702591        -2.396535346        -1.800379436    
O          2.007388739        0.6193951006        -1.596455154    
H          2.511299923       -0.2139031364        -1.586334749    
H          1.243556987        0.4386488058       -0.9872846951    
O        -0.8390718587        -1.269156155        -3.799459999    
H         -1.115163220        -1.482646682        -4.691726014    
H        -0.3459337567       -0.4211750328        -3.831200638    
O         -3.323485381        -2.153005328       -0.9836113873E-02
H         -3.288415464        -1.614569700       -0.8500263405    
H         -4.085562682        -2.726319152       -0.8684132236E-01
O          3.261339337        0.6285982089         2.171629776    
H          3.963767721        0.8885206425         2.766474540    
H          3.263840020         1.289995871         1.423196424    
O         -3.004398980         2.071381168         1.458963316    
H         -3.841920878         2.472165945         1.690305051    
H         -3.061433737         1.120875273         1.771644811    
O          2.826761933        -1.978972317         1.344506897    
H          2.995033109        -1.074939475         1.658923395    
H          2.844035138        -1.935460896        0.3733009148    
O        -0.1898405225E-01    0.9261894501E-02   -0.4733318105E-01
H        -0.8154282577        0.4889106780       -0.3795430219    
H        -0.2356460650       -0.9485783216       -0.7550830292E-01
O         0.7245424439        -3.001728481        -2.287488200    
H         0.2067490853        -2.439512246        -2.887533218    
H         0.2084041282        -3.012393751        -1.459888997    
O          3.144458923         2.340179385        0.2036714107    
H          2.406102488         2.957415419        0.3604670914    
H          2.848559435         1.778581785       -0.5369820051    
O         0.5540931479        0.6630739822         2.496494216    
H          1.523564462        0.6377463462         2.545607357    
H         0.3380189784        0.4261822190         1.567771737    
O         -3.099852272       -0.7422809491        -2.202177554    
H         -2.836974415        0.1234037926        -1.835726042    
H         -2.339566025        -1.033038129        -2.731233669    
    63
Energy=    -106.836373348450    
O         0.7113197333        0.8972491510        -3.855993944    
H          1.274268984        0.7813514035        -3.058831370    
H          1.199787811         1.430950923        -4.489956753    
O        -0.6054922705         3.075465194         2.371903139    
H         -1.491044032         2.820554385         2.059063476    
H        -0.1691960726         2.225081639         2.589643433    
O        -0.2439186582         3.155142947        -1.866015720    
H         0.3485913713         2.531113187        -2.294624576    
H         0.2130922871         3.451053541        -1.055232301    
O         0.9257564175         3.935896398        0.4683826712    
H         0.3222738792         3.607074103         1.202120708    
H          1.022223536         4.877212437        0.6120074921    
O         -3.235783889       -0.4151657726         2.177254066    
H         -2.497477643       -0.7424674071         2.736241962    
H         -3.281556463        -1.016497343         1.416908277    
O         -2.051722090         1.427510858       -0.9820752304    
H         -1.519544582         2.156287142        -1.373424130    
H         -2.457852564         1.773652587       -0.1655801487    
O         -1.058325735        -1.276078772         3.508799184    
H        -0.4842048967       -0.5081048513         3.334505963    
H        -0.5642025147        -2.032252838         3.162465086    
O         0.6494121370        -3.136612646         2.264508367    
H          1.470990342        -2.663422574         1.965626256    
H         0.9383225431        -3.988623170         2.590440852    
O        -0.6651372746        -2.586970414       -0.1384640513E-01
H         -1.635146957        -2.560198989        0.7651052430E-01
H        -0.2923673076        -2.875511556        0.8409290510    
O          2.933817601        -1.894021879        -1.441615439    
H          2.103477916        -2.337800391        -1.777420686    
H          3.668953684        -2.388975248        -1.801811849    
O          2.003887994        0.6264958856        -1.596105738    
H          2.508409805       -0.2063744999        -1.588538829    
H          1.238844606        0.4407562882       -0.9907152074    
O        -0.8524589481        -1.279382596        -3.797409396    
H         -1.116555024        -1.496555416        -4.692197645    
H        -0.3482381255       -0.4402230007        -3.832995209    
O         -3.323966021        -2.152824242       -0.9236611794E-02
H         -3.289011370        -1.614662610       -0.8496281490    
H         -4.085384820        -2.726948786       -0.8648934178E-01
O          3.261334072        0.6290358986         2.171649951    
H          3.964351557        0.8887053864         2.765936370    
H          3.263105050         1.290503492         1.423296404    
O         -3.003379493         2.071723509         1.457591412    
H         -3.840984607         2.472135844         1.689296183    
H         -3.060368594         1.120976142         1.769962369    
O          2.826600534        -1.978927323         1.343869838    
H          2.994909141        -1.075046544         1.658645896    
H          2.843096931        -1.934605342        0.3726081897    
O        -0.2116743746E-01    0.8382921641E-02   -0.4675143322E-01
H        -0.8176683494        0.4869631462       -0.3792320541    
H        -0.2365777468       -0.9497407826       -0.7515366489E-01
O         0.7245030889        -2.999592235        -2.287846928    
H         0.2056536195        -2.437687946        -2.887197412    
H         0.2082950986        -3.011848292        -1.460455274    
O          3.141857877         2.341910382        0.2037586597    
H          2.403617931         2.958875256        0.3610913401    
H          2.844782253         1.779502368       -0.5361991250    
O         0.5540486233        0.6636898895         2.496422873    
H          1.523519606        0.6376921142         2.545539082    
H         0.3377004849        0.4256260765         1.568091747    
O         -3.102565363       -0.7420179980        -2.200755873    
H         -2.839186629        0.1238836907        -1.835977190    
H         -2.343809938        -1.032555119        -2.732247706    
    63
Energy=    -106.836125029980    
O         0.7396625047        0.8578219947        -3.898533496    
H          1.290983214        0.7623511861        -3.088114427    
H          1.169657049         1.493585957        -4.470359383    
O        -0.6057940495         3.075351921         2.372376492    
H         -1.491333677         2.819610515         2.059993464    
H        -0.1689353528         2.225100434         2.589976269    
O        -0.2153389553         3.143419435        -1.865619429    
H         0.3905361535         2.504521499        -2.250628734    
H         0.2085006243         3.463362784        -1.045080809    
O         0.9212417328         3.942797343        0.4708725513    
H         0.3199429732         3.610655725         1.205300755    
H          1.022668883         4.882599353        0.6204715524    
O         -3.234886656       -0.4139859104         2.176056071    
H         -2.497137517       -0.7417293691         2.735545230    
H         -3.281654824        -1.016242468         1.416416012    
O         -2.051126391         1.431062593       -0.9846364755    
H         -1.515113059         2.156329147        -1.375710760    
H         -2.456646948         1.777717634       -0.1677842185    
O         -1.058307377        -1.276085041         3.508923724    
H        -0.4841003404       -0.5081782277         3.334833164    
H        -0.5642081668        -2.032216108         3.162410364    
O         0.6495402575        -3.136198171         2.265526666    
H          1.470938907        -2.663672733         1.965020473    
H         0.9381614574        -3.988892440         2.590003424    
O        -0.6657703345        -2.587287839       -0.1284015313E-01
H         -1.635904010        -2.560651887        0.7722737155E-01
H        -0.2929384101        -2.875888287        0.8419706919    
O          2.930787205        -1.886314926        -1.441219134    
H          2.101173661        -2.330808637        -1.778153213    
H          3.666653695        -2.378636212        -1.803856610    
O          2.000882317        0.6376590022        -1.593604832    
H          2.504027640       -0.1965158432        -1.592023993    
H          1.231721564        0.4431495248       -0.9959091494    
O        -0.8722296818        -1.294861231        -3.793046762    
H         -1.117364574        -1.514070145        -4.692586313    
H        -0.3520794864       -0.4680992775        -3.836555429    
O         -3.324689291        -2.152515418       -0.8367217842E-02
H         -3.289760582        -1.614693969       -0.8492442923    
H         -4.085189332        -2.727872414       -0.8599424123E-01
O          3.261405964        0.6296254506         2.171690320    
H          3.965190780        0.8889344977         2.765288957    
H          3.262015264         1.291106218         1.423506145    
O         -3.001901252         2.072247617         1.455801998    
H         -3.839708089         2.472076989         1.687901160    
H         -3.058933170         1.121109883         1.767605852    
O          2.826502884        -1.978837912         1.342940180    
H          2.994712637        -1.075165122         1.658303199    
H          2.841754796        -1.933494942        0.3716309940    
O        -0.2410585851E-01    0.7354537565E-02   -0.4516315740E-01
H        -0.8207590620        0.4841095426       -0.3790394434    
H        -0.2379124935       -0.9512892715       -0.7489063538E-01
O         0.7244685107        -2.996854729        -2.288541252    
H         0.2043121272        -2.434685873        -2.886635710    
H         0.2080672041        -3.010925364        -1.461392779    
O          3.138216123         2.344346233        0.2034224245    
H          2.400138952         2.960820826        0.3620227399    
H          2.839452990         1.780663203       -0.5352416970    
O         0.5540142627        0.6646406563         2.496203012    
H          1.523471375        0.6375865921         2.545498615    
H         0.3371952267        0.4247767467         1.568485209    
O         -3.106261478       -0.7419604128        -2.198701526    
H         -2.842099494        0.1243364717        -1.836572530    
H         -2.349297918        -1.031443730        -2.733667796    
    63
Energy=    -106.836086243270    
O         0.7415794761        0.8510605456        -3.904716145    
H          1.294276728        0.7596155386        -3.091147877    
H          1.166482372         1.503784739        -4.468631759    
O        -0.6058198057         3.075349577         2.372430532    
H         -1.491382371         2.819468979         2.060123571    
H        -0.1689084072         2.225099458         2.590028066    
O        -0.2113835227         3.141894434        -1.865652175    
H         0.3964853873         2.500518806        -2.244791361    
H         0.2078191422         3.465312222        -1.043298138    
O         0.9206472249         3.943744854        0.4711567495    
H         0.3196030708         3.611145002         1.205765038    
H          1.022728382         4.883354942        0.6216585949    
O         -3.234764406       -0.4138231177         2.175895216    
H         -2.497090379       -0.7416242722         2.735448363    
H         -3.281668091        -1.016210009         1.416339805    
O         -2.051068882         1.431537501       -0.9849593996    
H         -1.514510511         2.156320524        -1.376040314    
H         -2.456496873         1.778281038       -0.1680805476    
O         -1.058298395        -1.276088926         3.508949408    
H        -0.4840898893       -0.5081949632         3.334876933    
H        -0.5642098650        -2.032209963         3.162397208    
O         0.6495677783        -3.136131845         2.265685226    
H          1.470916453        -2.663713336         1.964927312    
H         0.9381366009        -3.988936487         2.589942233    
O        -0.6658558446        -2.587338510       -0.1268785555E-01
H         -1.636022160        -2.560712861        0.7732425305E-01
H        -0.2930117663        -2.875943403        0.8421205130    
O          2.930408570        -1.885225486        -1.441101482    
H          2.100792013        -2.329835034        -1.778280310    
H          3.666363743        -2.377216241        -1.804160407    
O          2.000784827        0.6394961728        -1.592998160    
H          2.503381948       -0.1952510846        -1.592560641    
H          1.230582474        0.4433877067       -0.9966461188    
O        -0.8751973717        -1.297256499        -3.792152255    
H         -1.117323497        -1.516284723        -4.692654190    
H        -0.3526640379       -0.4721396742        -3.837246488    
O         -3.324794511        -2.152474996       -0.8219264540E-02
H         -3.289855096        -1.614672368       -0.8492298864    
H         -4.085175613        -2.728013972       -0.8592390053E-01
O          3.261427862        0.6297190234         2.171686411    
H          3.965310762        0.8889619255         2.765209866    
H          3.261851787         1.291166355         1.423556452    
O         -3.001685113         2.072328285         1.455561766    
H         -3.839533058         2.472066904         1.687706523    
H         -3.058736857         1.121127018         1.767272547    
O          2.826507571        -1.978817471         1.342802243    
H          2.994680315        -1.075182003         1.658259972    
H          2.841558895        -1.933348419        0.3714917385    
O        -0.2448490450E-01    0.7246399407E-02   -0.4480139501E-01
H        -0.8212135372        0.4836941809       -0.3790534793    
H        -0.2381141770       -0.9515172748       -0.7488853590E-01
O         0.7244817710        -2.996531248        -2.288652329    
H         0.2041262312        -2.434186697        -2.886564549    
H         0.2080223965        -3.010770801        -1.461536324    
O          3.137685929         2.344677823        0.2032931554    
H          2.399646765         2.961087477        0.3621678112    
H          2.838697729         1.780811468       -0.5351162918    
O         0.5540162707        0.6647849946         2.496156203    
H          1.523465083        0.6375682603         2.545500433    
H         0.3371145397        0.4246461522         1.568526929    
O         -3.106801045       -0.7419892443        -2.198393977    
H         -2.842480466        0.1243757127        -1.836687444    
H         -2.349998541        -1.031235487        -2.733878593    
    63
Energy=    -106.836062978660    
O         0.7415741884        0.8510526519        -3.904710905    
H          1.294277500        0.7596155935        -3.091147803    
H          1.166486963         1.503792503        -4.468637535    
O        -0.6058198112         3.075349576         2.372430541    
H         -1.491382376         2.819468970         2.060123581    
H        -0.1689084045         2.225099458         2.590028070    
O        -0.2113840637         3.141894785        -1.865652193    
H         0.3964863951         2.500517941        -2.244791333    
H         0.2078192992         3.465312493        -1.043297652    
O         0.9206471837         3.943744898        0.4711567622    
H         0.3196030538         3.611145040         1.205765069    
H          1.022728390         4.883355013        0.6216586823    
O         -3.234764398       -0.4138231051         2.175895206    
H         -2.497090375       -0.7416242649         2.735448358    
H         -3.281668092        -1.016210009         1.416339799    
O         -2.051068884         1.431537547       -0.9849594199    
H         -1.514510473         2.156320518        -1.376040329    
H         -2.456496858         1.778281069       -0.1680805761    
O         -1.058298396        -1.276088926         3.508949409    
H        -0.4840898883       -0.5081949649         3.334876936    
H        -0.5642098642        -2.032209962         3.162397208    
O         0.6495677779        -3.136131844         2.265685236    
H          1.470916454        -2.663713337         1.964927305    
H         0.9381365985        -3.988936489         2.589942229    
O        -0.6658558536        -2.587338518       -0.1268783942E-01
H         -1.636022162        -2.560712866        0.7732426060E-01
H        -0.2930117718        -2.875943404        0.8421205157    
O          2.930408553        -1.885225421        -1.441101467    
H          2.100791989        -2.329834969        -1.778280318    
H          3.666363727        -2.377216144        -1.804160428    
O          2.000784790        0.6394962805        -1.592998123    
H          2.503381897       -0.1952509868        -1.592560683    
H          1.230582405        0.4433877208       -0.9966461759    
O        -0.8751974424        -1.297256480        -3.792152086    
H         -1.117323505        -1.516284875        -4.692654290    
H        -0.3526640981       -0.4721399700        -3.837246575    
O         -3.324794519        -2.152474997       -0.8219253855E-02
H         -3.289855105        -1.614672366       -0.8492298852    
H         -4.085175611        -2.728013981       -0.8592389406E-01
O          3.261427865        0.6297190301         2.171686412    
H          3.965310769        0.8889619264         2.765209860    
H          3.261851774         1.291166359         1.423556452    
O         -3.001685101         2.072328289         1.455561743    
H         -3.839533045         2.472066902         1.687706510    
H         -3.058736844         1.121127020         1.767272526    
O          2.826507570        -1.978817469         1.342802240    
H          2.994680313        -1.075182006         1.658259968    
H          2.841558883        -1.933348408        0.3714917246    
O        -0.2448495212E-01    0.7246386107E-02   -0.4480136363E-01
H        -0.8212135599        0.4836941484       -0.3790534747    
H        -0.2381141883       -0.9515172858       -0.7488853421E-01
O         0.7244817682        -2.996531242        -2.288652324    
H         0.2041262144        -2.434186658        -2.886564552    
H         0.2080223972        -3.010770789        -1.461536335    
O          3.137685896         2.344677850        0.2032931621    
H          2.399646732         2.961087495        0.3621678197    
H          2.838697671         1.780811466       -0.5351163052    
O         0.5540162726        0.6647850032         2.496156208    
H          1.523465082        0.6375682601         2.545500433    
H         0.3371145353        0.4246461428         1.568526925    
O         -3.106801088       -0.7419892381        -2.198393956    
H         -2.842480492        0.1243757138        -1.836687450    
H         -2.349998582        -1.031235476        -2.733878608    
    63
Energy=    -106.836037960040    
O         0.7682253225        0.8183350774        -3.932298963    
H          1.304465307        0.7472816215        -3.107052058    
H          1.130090284         1.534637661        -4.452631452    
O        -0.6061390025         3.075222300         2.373057813    
H         -1.491618466         2.818987348         2.060717233    
H        -0.1687188759         2.225052537         2.590202817    
O        -0.1950260213         3.132909264        -1.865227030    
H         0.4236708113         2.486535748        -2.215651926    
H         0.2066121149         3.471558370        -1.040371500    
O         0.9178977800         3.948096449        0.4727820131    
H         0.3180594793         3.613690401         1.207736390    
H          1.023016717         4.886766373        0.6267643543    
O         -3.234126513       -0.4130472049         2.175228939    
H         -2.496800987       -0.7412104430         2.735058411    
H         -3.281773811        -1.016102454         1.416224836    
O         -2.050767678         1.433807419       -0.9869760899    
H         -1.511178744         2.156356343        -1.376921509    
H         -2.455564984         1.780624259       -0.1697211314    
O         -1.058406830        -1.275994951         3.508798543    
H        -0.4840115325       -0.5081773630         3.335173330    
H        -0.5642083044        -2.032170904         3.162483275    
O         0.6495842664        -3.135934310         2.265934820    
H          1.470908977        -2.663709433         1.964700540    
H         0.9381211577        -3.988952493         2.589665858    
O        -0.6662896608        -2.587456166       -0.1207868240E-01
H         -1.636469323        -2.561163913        0.7789551427E-01
H        -0.2932336681        -2.876248795        0.8425932370    
O          2.928617090        -1.880304447        -1.440672718    
H          2.099792182        -2.325638411        -1.778684519    
H          3.665048422        -2.370433229        -1.805350094    
O          1.994359184        0.6444210534        -1.595019366    
H          2.500482913       -0.1883193918        -1.595201965    
H          1.225674629        0.4437870101       -0.9982300888    
O        -0.8812130266        -1.297953584        -3.790651127    
H         -1.116873928        -1.525666592        -4.690665235    
H        -0.3489328628       -0.4797022643        -3.842324076    
O         -3.325147536        -2.152538345       -0.7729396971E-02
H         -3.290559831        -1.614772661       -0.8487971458    
H         -4.085107650        -2.728622033       -0.8552733105E-01
O          3.261294025        0.6300806665         2.171719453    
H          3.965718064        0.8890284893         2.764736734    
H          3.261312831         1.291439762         1.423708861    
O         -3.000933223         2.072512017         1.454031527    
H         -3.838689030         2.472107878         1.686812001    
H         -3.057890977         1.121218338         1.765862445    
O          2.826095317        -1.978711217         1.342245728    
H          2.994667016        -1.075338777         1.658097016    
H          2.840895952        -1.932640650        0.3708719349    
O        -0.2647808024E-01    0.6368795414E-02   -0.4425483522E-01
H        -0.8234658522        0.4820098093       -0.3783829158    
H        -0.2391266104       -0.9527650260       -0.7431291933E-01
O         0.7240803710        -2.995035743        -2.288890666    
H         0.2031626849        -2.432780679        -2.886500891    
H         0.2078488368        -3.010345521        -1.461763540    
O          3.134881494         2.345544549        0.2032753291    
H          2.397478113         2.962476285        0.3625050592    
H          2.835620383         1.782015444       -0.5353038511    
O         0.5540477845        0.6651882991         2.496174446    
H          1.523496407        0.6375656789         2.545527965    
H         0.3369316547        0.4242285461         1.568856691    
O         -3.109166184       -0.7414856619        -2.197521057    
H         -2.844407738        0.1248942427        -1.836692922    
H         -2.353319538        -1.030767768        -2.734526634    
    63
Energy=    -106.836093010670    
O         0.7415794761        0.8510605456        -3.904716145    
H          1.294276728        0.7596155386        -3.091147877    
H          1.166482372         1.503784739        -4.468631759    
O        -0.6058198057         3.075349577         2.372430532    
H         -1.491382371         2.819468979         2.060123571    
H        -0.1689084072         2.225099458         2.590028066    
O        -0.2113835227         3.141894434        -1.865652175    
H         0.3964853873         2.500518806        -2.244791361    
H         0.2078191422         3.465312222        -1.043298138    
O         0.9206472249         3.943744854        0.4711567495    
H         0.3196030708         3.611145002         1.205765038    
H          1.022728382         4.883354942        0.6216585949    
O         -3.234764406       -0.4138231177         2.175895216    
H         -2.497090379       -0.7416242722         2.735448363    
H         -3.281668091        -1.016210009         1.416339805    
O         -2.051068882         1.431537501       -0.9849593996    
H         -1.514510511         2.156320524        -1.376040314    
H         -2.456496873         1.778281038       -0.1680805476    
O         -1.058298395        -1.276088926         3.508949408    
H        -0.4840898893       -0.5081949632         3.334876933    
H        -0.5642098650        -2.032209963         3.162397208    
O         0.6495677783        -3.136131845         2.265685226    
H          1.470916453        -2.663713336         1.964927312    
H         0.9381366009        -3.988936487         2.589942233    
O        -0.6658558446        -2.587338510       -0.1268785555E-01
H         -1.636022160        -2.560712861        0.7732425305E-01
H        -0.2930117663        -2.875943403        0.8421205130    
O          2.930408570        -1.885225486        -1.441101482    
H          2.100792013        -2.329835034        -1.778280310    
H          3.666363743        -2.377216241        -1.804160407    
O          2.000784827        0.6394961728        -1.592998160    
H          2.503381948       -0.1952510846        -1.592560641    
H          1.230582474        0.4433877067       -0.9966461188    
O        -0.8751973717        -1.297256499        -3.792152255    
H         -1.117323497        -1.516284723        -4.692654190    
H        -0.3526640379       -0.4721396742        -3.837246488    
O         -3.324794511        -2.152474996       -0.8219264540E-02
H         -3.289855096        -1.614672368       -0.8492298864    
H         -4.085175613        -2.728013972       -0.8592390053E-01
O          3.261427862        0.6297190234         2.171686411    
H          3.965310762        0.8889619255         2.765209866    
H          3.261851787         1.291166355         1.423556452    
O         -3.001685113         2.072328285         1.455561766    
H         -3.839533058         2.472066904         1.687706523    
H         -3.058736857         1.121127018         1.767272547    
O          2.826507571        -1.978817471         1.342802243    
H          2.994680315        -1.075182003         1.658259972    
H          2.841558895        -1.933348419        0.3714917385    
O        -0.2448490450E-01    0.7246399407E-02   -0.4480139501E-01
H        -0.8212135372        0.4836941809       -0.3790534793    
H        -0.2381141770       -0.9515172748       -0.7488853590E-01
O         0.7244817710        -2.996531248        -2.288652329    
H         0.2041262312        -2.434186697        -2.886564549    
H         0.2080223965        -3.010770801        -1.461536324    
O          3.137685929         2.344677823        0.2032931554    
H          2.399646765         2.961087477        0.3621678112    
H          2.838697729         1.780811468       -0.5351162918    
O         0.5540162707        0.6647849946         2.496156203    
H          1.523465083        0.6375682603         2.545500433    
H         0.3371145397        0.4246461522         1.568526929    
O         -3.106801045       -0.7419892443        -2.198393977    
H         -2.842480466        0.1243757127        -1.836687444    
H         -2.349998541        -1.031235487        -2.733878593    
    63
Energy=    -106.836964463440    
O         0.6735902208        0.9648388517        -3.809357748    
H          1.252571791        0.8076524587        -3.016032515    
H          1.237083512         1.333916732        -4.506167341    
O        -0.6048062890         3.075785939         2.370695227    
H         -1.490577225         2.821808265         2.057781744    
H        -0.1698062229         2.225076324         2.589276894    
O        -0.2800885509         3.172354906        -1.867167136    
H         0.2848152302         2.568347257        -2.362667842    
H         0.2167794632         3.435924469        -1.066782828    
O         0.9324817419         3.925594579        0.4641193356    
H         0.3258521788         3.601622655         1.197267952    
H          1.021557902         4.869037669        0.5994934518    
O         -3.237179944       -0.4169740130         2.179024380    
H         -2.497991881       -0.7435068735         2.737298621    
H         -3.281416759        -1.016893955         1.417527395    
O         -2.052664582         1.421879606       -0.9776480893    
H         -1.526482238         2.155661790        -1.370269569    
H         -2.460211387         1.767635450       -0.1618674966    
O         -1.058242642        -1.276196084         3.508858066    
H        -0.4844006779       -0.5080824052         3.333967114    
H        -0.5642031733        -2.032321018         3.162394516    
O         0.6492754702        -3.137086421         2.263487676    
H          1.470865230        -2.663144398         1.966255689    
H         0.9384986145        -3.988388006         2.591075627    
O        -0.6642027053        -2.586386928       -0.1513846409E-01
H         -1.634225945        -2.559508027        0.7538996976E-01
H        -0.2914116978        -2.875057601        0.8395873212    
O          2.938413253        -1.905622946        -1.441580772    
H          2.106310803        -2.347698032        -1.776562316    
H          3.672586459        -2.404305279        -1.798995863    
O          2.013614405        0.6140971917        -1.593278670    
H          2.513414275       -0.2222038801        -1.584932659    
H          1.247597094        0.4357381913       -0.9848189842    
O        -0.8274773081        -1.260553548        -3.799005617    
H         -1.111967735        -1.465819147        -4.690948066    
H        -0.3447776757       -0.4047383193        -3.830827130    
O         -3.323135525        -2.153030749       -0.1048166380E-01
H         -3.287697234        -1.614400948       -0.8506144157    
H         -4.085785076        -2.725738727       -0.8718443304E-01
O          3.261476969        0.6280660132         2.171690640    
H          3.963249868        0.8882967126         2.767198500    
H          3.264443992         1.289362840         1.423136670    
O         -3.005329157         2.071108549         1.460531039    
H         -3.842886942         2.472165548         1.691322764    
H         -3.062569292         1.120764057         1.773296749    
O          2.827129065        -1.979006756         1.345108440    
H          2.995118010        -1.074766596         1.659251781    
H          2.844921297        -1.936433911        0.3739675704    
O        -0.1688250899E-01    0.1035492138E-01   -0.4676647076E-01
H        -0.8129954566        0.4905700011       -0.3801761416    
H        -0.2347152096       -0.9471984440       -0.7620516397E-01
O         0.7245413100        -3.004158511        -2.287473195    
H         0.2082668059        -2.440521989        -2.887626712    
H         0.2084044516        -3.012664912        -1.459653092    
O          3.147147562         2.338599212        0.2029490050    
H          2.408523209         2.955758849        0.3598967431    
H          2.852114558         1.777419854       -0.5380554652    
O         0.5541637924        0.6626384286         2.496420943    
H          1.523627945        0.6377467744         2.545749449    
H         0.3382536969        0.4266104094         1.567385666    
O         -3.096876378       -0.7430520082        -2.203505309    
H         -2.834553382        0.1225479759        -1.835872940    
H         -2.334618273        -1.032764446        -2.730233347    
    63
Energy=    -106.837779855040    
O         0.6582038747         1.037506111        -3.772619248    
H          1.222100419        0.8431370308        -2.981097523    
H          1.262483723         1.227534362        -4.498635276    
O        -0.6036185672         3.076247346         2.367790390    
H         -1.489894125         2.823149037         2.056432541    
H        -0.1705771888         2.225422856         2.589064925    
O        -0.3147048019         3.193113522        -1.874029181    
H         0.2091946476         2.613484710        -2.436578723    
H         0.2150398505         3.418383685        -1.083984440    
O         0.9382691415         3.913506054        0.4569652643    
H         0.3311283231         3.593704016         1.190401467    
H          1.021424179         4.858673178        0.5838650667    
O         -3.238969407       -0.4191919629         2.180911678    
H         -2.498800166       -0.7445571145         2.738628596    
H         -3.281219172        -1.017454234         1.418132107    
O         -2.053517895         1.415200562       -0.9713741809    
H         -1.535120386         2.154218327        -1.366324388    
H         -2.464085257         1.759851453       -0.1562537685    
O         -1.057832702        -1.276608334         3.509517643    
H        -0.4846063945       -0.5082527539         3.333097838    
H        -0.5642065668        -2.032435723         3.161868233    
O         0.6490322905        -3.137400601         2.263396801    
H          1.470512623        -2.663079209         1.966268160    
H         0.9384990297        -3.988360095         2.591742174    
O        -0.6629383091        -2.585080482       -0.1657279916E-01
H         -1.632970960        -2.558656147        0.7424080819E-01
H        -0.2904174155        -2.874431318        0.8382337069    
O          2.942581314        -1.920290418        -1.441988798    
H          2.109377143        -2.359679450        -1.775924635    
H          3.676268118        -2.422264874        -1.795688852    
O          2.029244447        0.6035222715        -1.580118728    
H          2.515300839       -0.2403490656        -1.584154079    
H          1.256839234        0.4281130833       -0.9802243114    
O        -0.8082877919        -1.240396698        -3.796745551    
H         -1.102227914        -1.424469394        -4.689686905    
H        -0.3438914692       -0.3747488695        -3.820666929    
O         -3.322932137        -2.152188850       -0.1206668416E-01
H         -3.285869537        -1.614811036       -0.8523569145    
H         -4.086162451        -2.724200381       -0.8824183989E-01
O          3.262099329        0.6266493928         2.172196722    
H          3.962339582        0.8878704417         2.769182687    
H          3.265460608         1.287502727         1.422488735    
O         -3.007501177         2.070384442         1.464463933    
H         -3.845134249         2.472094940         1.693712969    
H         -3.065215437         1.120291378         1.777150752    
O          2.828364868        -1.979461924         1.346880194    
H          2.995174467        -1.074277998         1.659565265    
H          2.847069764        -1.938701850        0.3759189455    
O        -0.1337408240E-01    0.1207879340E-01   -0.4513715135E-01
H        -0.8072657581        0.4942190037       -0.3813578965    
H        -0.2324702683       -0.9446177728       -0.7733395715E-01
O         0.7240895472        -3.008961927        -2.288698291    
H         0.2144589925        -2.438481568        -2.886667422    
H         0.2078059506        -3.012947120        -1.460655267    
O          3.155137477         2.336140041        0.2003784957    
H          2.414024051         2.950159357        0.3577898647    
H          2.859075090         1.773916785       -0.5398401798    
O         0.5541484112        0.6623645284         2.496807050    
H          1.523632172        0.6375774188         2.546035604    
H         0.3389214259        0.4274223847         1.567412024    
O         -3.087108169       -0.7459169941        -2.207252477    
H         -2.829986384        0.1199726319        -1.836177818    
H         -2.319883693        -1.030380103        -2.728576943    
    63
Energy=    -106.837928601670    
O         0.6559145564         1.077370636        -3.752604418    
H          1.203304828        0.8762764025        -2.948633093    
H          1.274772561         1.154044856        -4.482951330    
O        -0.6024298037         3.076604532         2.364765645    
H         -1.489431723         2.824423638         2.055082182    
H        -0.1707494740         2.226086294         2.588966144    
O        -0.3519204451         3.212914016        -1.885027987    
H         0.1495926789         2.656675707        -2.490335784    
H         0.2123788459         3.399952261        -1.109444147    
O         0.9411641447         3.901870742        0.4467791796    
H         0.3362716643         3.585717807         1.182834287    
H          1.021894279         4.848065443        0.5686856079    
O         -3.240432698       -0.4209930692         2.182460562    
H         -2.499768228       -0.7454664731         2.740004399    
H         -3.281057768        -1.018112033         1.418719077    
O         -2.053905081         1.410247938       -0.9659112357    
H         -1.543310158         2.154540810        -1.361664565    
H         -2.467165763         1.752096349       -0.1508631892    
O         -1.057448649        -1.276947692         3.509860281    
H        -0.4846649969       -0.5084654941         3.332436444    
H        -0.5641766673        -2.032609847         3.161362413    
O         0.6486813926        -3.137591489         2.262974898    
H          1.470307670        -2.663319878         1.966293813    
H         0.9383036251        -3.988161914         2.592288949    
O        -0.6616693864        -2.583850077       -0.1791228530E-01
H         -1.631609285        -2.557694960        0.7335583216E-01
H        -0.2894849112        -2.873522279        0.8369418592    
O          2.945369915        -1.933203272        -1.443074545    
H          2.112047666        -2.372840639        -1.776058534    
H          3.678767196        -2.438524431        -1.792607280    
O          2.035639713        0.5930632305        -1.574410825    
H          2.516802432       -0.2538451670        -1.583830483    
H          1.265579100        0.4213459759       -0.9707936628    
O        -0.7951160791        -1.219529129        -3.796394961    
H         -1.094738768        -1.389440797        -4.690923511    
H        -0.3423624978       -0.3465121750        -3.796116030    
O         -3.322928877        -2.151040384       -0.1319279612E-01
H         -3.283923942        -1.616132467       -0.8546575941    
H         -4.086495823        -2.722614663       -0.8949074579E-01
O          3.262131511        0.6258116756         2.172411294    
H          3.961411138        0.8878355187         2.770267546    
H          3.267132179         1.285508948         1.421549677    
O         -3.009789366         2.069171672         1.467410192    
H         -3.847121496         2.471907606         1.696038425    
H         -3.067649687         1.119544912         1.781095535    
O          2.829192618        -1.979977733         1.348771914    
H          2.995322777        -1.073987233         1.659652944    
H          2.849436771        -1.940929005        0.3779246874    
O        -0.1057084564E-01    0.1231393725E-01   -0.4571940215E-01
H        -0.8037488465        0.4972252298       -0.3806223975    
H        -0.2313022631       -0.9441191953       -0.7656137315E-01
O         0.7232537260        -3.011485521        -2.290244781    
H         0.2216225924        -2.432236082        -2.886158941    
H         0.2063801978        -3.013844798        -1.462428705    
O          3.163127551         2.333799886        0.1984031536    
H          2.419192729         2.944886562        0.3553846403    
H          2.866267327         1.769250188       -0.5394358718    
O         0.5542974724        0.6622162938         2.498145586    
H          1.523819547        0.6375348312         2.546698012    
H         0.3393624982        0.4282404068         1.568587463    
O         -3.076217841       -0.7485977585        -2.211313606    
H         -2.827392072        0.1177271360        -1.835316901    
H         -2.303648359        -1.027918187        -2.727942182    
    63
Energy=    -106.838260914690    
O         0.6618048308         1.063726735        -3.733488141    
H          1.213102909        0.9068292776        -2.919737783    
H          1.275539005         1.119912925        -4.466123311    
O        -0.5997483081         3.077883516         2.359631265    
H         -1.487868170         2.825816925         2.053265473    
H        -0.1704535296         2.227493924         2.589018697    
O        -0.3867936862         3.225845382        -1.904700635    
H         0.1061484970         2.693352227        -2.539886462    
H         0.1909126423         3.406027652        -1.138601740    
O         0.9404289990         3.883544868        0.4251065384    
H         0.3382020722         3.574413862         1.165860879    
H          1.024238669         4.829613785        0.5449818315    
O         -3.241684587       -0.4227621670         2.184534247    
H         -2.500962404       -0.7473989034         2.742009781    
H         -3.281360085        -1.018844509         1.419853904    
O         -2.053625513         1.407833570       -0.9592890301    
H         -1.557664847         2.160886034        -1.356298933    
H         -2.469034702         1.743394687       -0.1430727648    
O         -1.058081626        -1.277185161         3.508231972    
H        -0.4842443795       -0.5088050228         3.333425713    
H        -0.5640156631        -2.033161321         3.161442823    
O         0.6482495187        -3.138193599         2.260323156    
H          1.470915813        -2.663446604         1.967057724    
H         0.9367612072        -3.987593901         2.592981909    
O        -0.6613903439        -2.583042324       -0.1858474284E-01
H         -1.631376163        -2.556192999        0.7219166733E-01
H        -0.2874707438        -2.872807498        0.8355093996    
O          2.947975598        -1.948042381        -1.442353797    
H          2.114727250        -2.387302316        -1.777393157    
H          3.680872576        -2.455640138        -1.788816828    
O          2.028133404        0.5855487267        -1.571088587    
H          2.514793824       -0.2575579355        -1.589253767    
H          1.270589943        0.4102208602       -0.9512961912    
O        -0.7862780766        -1.195373919        -3.784210357    
H         -1.076824320        -1.336123837        -4.682445514    
H        -0.3435283840       -0.3142354392        -3.764420976    
O         -3.322297880        -2.150205055       -0.1548318643E-01
H         -3.278524294        -1.619078622       -0.8596101437    
H         -4.086644878        -2.720480517       -0.9110453139E-01
O          3.261339118        0.6260321252         2.171970085    
H          3.959814704        0.8875400785         2.770408338    
H          3.272032376         1.284512212         1.419867156    
O         -3.012725216         2.066507701         1.469832654    
H         -3.849032337         2.470848449         1.698973723    
H         -3.071284933         1.117688923         1.786364222    
O          2.829111794        -1.980102897         1.349558146    
H          2.996253038        -1.074362574         1.660767815    
H          2.852990167        -1.945342820        0.3783845506    
O        -0.9779592610E-02    0.1058691655E-01   -0.3944409120E-01
H        -0.8029875260        0.4944629867       -0.3754100413    
H        -0.2328316112       -0.9453081245       -0.7373348172E-01
O         0.7208461890        -3.009780159        -2.294538026    
H         0.2277629843        -2.419383645        -2.887023123    
H         0.2013903101        -3.014759154        -1.468455477    
O          3.168919876         2.327057266        0.1994938405    
H          2.425992987         2.941620157        0.3501250354    
H          2.879983038         1.759483050       -0.5391303988    
O         0.5554216834        0.6616157578         2.500805943    
H          1.525039389        0.6379611916         2.549705236    
H         0.3391032646        0.4283566001         1.571014710    
O         -3.065173459       -0.7529861705        -2.213693003    
H         -2.823169918        0.1135279482        -1.834404404    
H         -2.286029399        -1.023889006        -2.726096327    
    63
Energy=    -106.838394525750    
O         0.6635845955         1.062015118        -3.729501518    
H          1.218940817        0.9051936390        -2.917800795    
H          1.275143486         1.120869540        -4.463693149    
O        -0.5983689532         3.078262389         2.356700827    
H         -1.487191100         2.826090627         2.052711844    
H        -0.1699475836         2.228083428         2.588719226    
O        -0.3924838462         3.229937732        -1.914012965    
H         0.1007665737         2.697710489        -2.545166163    
H         0.1815116026         3.412710320        -1.146011650    
O         0.9379841082         3.878727532        0.4173684774    
H         0.3370933493         3.569196042         1.159631940    
H          1.025894664         4.824601853        0.5369475068    
O         -3.242430608       -0.4235846237         2.185358433    
H         -2.501131818       -0.7480323278         2.742206894    
H         -3.281490906        -1.018882999         1.420087635    
O         -2.054492564         1.407643335       -0.9575419348    
H         -1.561623925         2.161647039        -1.356094815    
H         -2.469686899         1.741604077       -0.1399543756    
O         -1.058110479        -1.277450130         3.508274012    
H        -0.4841489291       -0.5091168649         3.333672729    
H        -0.5640474133        -2.033203448         3.161134079    
O         0.6482592157        -3.137961803         2.260341828    
H          1.470927189        -2.663530745         1.966777692    
H         0.9362095475        -3.987820654         2.593093314    
O        -0.6613935859        -2.582954400       -0.1936309098E-01
H         -1.631383529        -2.556136787        0.7252074534E-01
H        -0.2876818777        -2.872822116        0.8348606770    
O          2.948449629        -1.950599438        -1.441979228    
H          2.115003367        -2.388766504        -1.777370552    
H          3.681426846        -2.459686002        -1.787743217    
O          2.032110465        0.5878988157        -1.560983367    
H          2.511951200       -0.2584757364        -1.592828460    
H          1.268293567        0.4067430337       -0.9492202065    
O        -0.7865314013        -1.187202241        -3.776550195    
H         -1.073190920        -1.323873986        -4.682282756    
H        -0.3405563618       -0.3100650882        -3.753713104    
O         -3.321630988        -2.149918155       -0.1584892386E-01
H         -3.276639498        -1.620309617       -0.8609661429    
H         -4.086616502        -2.719806895       -0.9197417481E-01
O          3.262081808        0.6256769829         2.172078078    
H          3.960053271        0.8870861684         2.771657685    
H          3.272230164         1.284047531         1.419777954    
O         -3.013157397         2.065941644         1.471568430    
H         -3.849749758         2.470492665         1.699667504    
H         -3.072123062         1.116843015         1.787291965    
O          2.829576923        -1.980888060         1.349821054    
H          2.996270524        -1.074704811         1.659923114    
H          2.853703774        -1.946062335        0.3787816707    
O        -0.1150928800E-01    0.9298805143E-02   -0.3462438381E-01
H        -0.8027880927        0.4942324113       -0.3739999763    
H        -0.2326698252       -0.9472070918       -0.7248661861E-01
O         0.7199124108        -3.009092203        -2.296770079    
H         0.2284611573        -2.415267875        -2.886970619    
H         0.1996765755        -3.014127132        -1.471211164    
O          3.172319391         2.326195461        0.1986924305    
H          2.427176830         2.938321187        0.3466111814    
H          2.881905483         1.757774812       -0.5385793111    
O         0.5552942809        0.6622799831         2.502402314    
H          1.524887773        0.6379405539         2.550050384    
H         0.3397160533        0.4279984285         1.572823524    
O         -3.062766971       -0.7536685618        -2.213631608    
H         -2.821932044        0.1127158197        -1.833616571    
H         -2.282829411        -1.023804243        -2.725554551    
    63
Energy=    -106.838489608810    
O         0.6746710855         1.070024872        -3.712999579    
H          1.232780707        0.9016063885        -2.904692028    
H          1.276481948         1.121068708        -4.455592661    
O        -0.5941845428         3.079016186         2.346439535    
H         -1.485283265         2.827073152         2.050448692    
H        -0.1672911925         2.230283840         2.586815034    
O        -0.4202713278         3.248007934        -1.942352119    
H         0.7925603431E-01     2.713351391        -2.565549301    
H         0.1541938665         3.428574184        -1.173339412    
O         0.9295531964         3.862222598        0.3889435372    
H         0.3350723123         3.554891072         1.137581808    
H          1.029546075         4.805065655        0.5114137871    
O         -3.244971164       -0.4266660735         2.187811530    
H         -2.501837800       -0.7499210587         2.743086632    
H         -3.282157174        -1.019234750         1.420477202    
O         -2.054490219         1.406723562       -0.9529470394    
H         -1.575378227         2.162363079        -1.355196085    
H         -2.471722430         1.737204621       -0.1299160757    
O         -1.057739309        -1.278681588         3.508727811    
H        -0.4840706879       -0.5096915273         3.334396153    
H        -0.5642900381        -2.033470751         3.159896323    
O         0.6476451310        -3.137359492         2.260204814    
H          1.470852335        -2.664551694         1.966135415    
H         0.9347941744        -3.987690213         2.593093351    
O        -0.6615127843        -2.584174327       -0.2177616527E-01
H         -1.631361767        -2.555802115        0.7258591156E-01
H        -0.2875324670        -2.873187093        0.8326525175    
O          2.949666492        -1.957275182        -1.444278913    
H          2.115963476        -2.395412889        -1.777140584    
H          3.681931279        -2.473874256        -1.782904757    
O          2.036166585        0.5879219263        -1.541115190    
H          2.508248934       -0.2667587939        -1.595410028    
H          1.266558139        0.3993210019       -0.9388629862    
O        -0.7863789169        -1.163942684        -3.763616008    
H         -1.062007171        -1.284737296        -4.674049695    
H        -0.3292130462       -0.2944031084        -3.715752898    
O         -3.319546322        -2.149649657       -0.1719630949E-01
H         -3.270648236        -1.623248012       -0.8646095246    
H         -4.086280036        -2.717567229       -0.9466951057E-01
O          3.263659615        0.6237375176         2.173101702    
H          3.959970970        0.8858845549         2.774211768    
H          3.274147735         1.281905212         1.421024533    
O         -3.014502184         2.064016009         1.477868243    
H         -3.852230689         2.468754050         1.702212801    
H         -3.075102618         1.114349413         1.791365595    
O          2.831391948        -1.983053782         1.350473091    
H          2.996529454        -1.075294705         1.658128910    
H          2.856017403        -1.949035058        0.3798570270    
O        -0.1355991955E-01    0.5677460705E-02   -0.2736613095E-01
H        -0.8025910220        0.4932975188       -0.3676841376    
H        -0.2341517206       -0.9522353356       -0.6678087841E-01
O         0.7165032502        -3.005307693        -2.302413348    
H         0.2295232621        -2.401677142        -2.889306871    
H         0.1954158351        -3.013528578        -1.479099115    
O          3.184123740         2.323952937        0.1931325447    
H          2.429271285         2.930788331        0.3383214203    
H          2.891890711         1.750260188       -0.5338704327    
O         0.5563168571        0.6640197803         2.507907584    
H          1.526031752        0.6384578796         2.552973676    
H         0.3392898555        0.4271394988         1.579696725    
O         -3.055561838       -0.7555135285        -2.212334604    
H         -2.818369391        0.1100888282        -1.830619993    
H         -2.272716835        -1.023346133        -2.724033811    
    63
Energy=    -106.838804085930    
O         0.6990120228         1.119938032        -3.674055062    
H          1.263840557        0.9028090075        -2.880469791    
H          1.294460661         1.156136206        -4.422774622    
O        -0.5825868465         3.082193121         2.316189903    
H         -1.480038668         2.826943155         2.042862593    
H        -0.1566590404         2.238240453         2.573926822    
O        -0.4836322159         3.274793740        -2.000201215    
H         0.2567968382E-01     2.720812584        -2.603448261    
H         0.8455275814E-01     3.470693943        -1.230705043    
O         0.9090191078         3.821598622        0.3172779416    
H         0.3203772457         3.522273250         1.073902310    
H          1.035838602         4.760503758        0.4468991618    
O         -3.249774367       -0.4338281960         2.190756888    
H         -2.505726761       -0.7564683729         2.745009251    
H         -3.284717061        -1.023322008         1.420674758    
O         -2.051998185         1.405441430       -0.9366523353    
H         -1.599380899         2.168298861        -1.365673797    
H         -2.467105220         1.739570353       -0.1187197179    
O         -1.058453450        -1.280643240         3.508484418    
H        -0.4840774877       -0.5111979663         3.340552404    
H        -0.5643185090        -2.034246335         3.156688710    
O         0.6471488962        -3.137075387         2.257020275    
H          1.471731272        -2.665782508         1.964893065    
H         0.9305002953        -3.987247526         2.593325051    
O        -0.6622941058        -2.593318801       -0.2574444369E-01
H         -1.632053953        -2.560330238        0.6922641447E-01
H        -0.2873173451        -2.880820845        0.8284733051    
O          2.950509264        -1.971731431        -1.448271396    
H          2.112186123        -2.399967349        -1.784919465    
H          3.678733850        -2.503341714        -1.769649057    
O          2.042561027        0.5542985641        -1.530581668    
H          2.512017015       -0.2985534782        -1.556585346    
H          1.277791039        0.3945274249       -0.9153453802    
O        -0.7632725068        -1.128200426        -3.734396450    
H         -1.046488405        -1.201760491        -4.646905519    
H        -0.3015387348       -0.2603110481        -3.654269146    
O         -3.313791392        -2.152257593       -0.1782497921E-01
H         -3.259050548        -1.624307818       -0.8642479505    
H         -4.083974303        -2.714378822       -0.9981326350E-01
O          3.265234216        0.6227674036         2.174729385    
H          3.959689658        0.8801567839         2.780090492    
H          3.283824676         1.281881298         1.423186327    
O         -3.017650972         2.058558209         1.493979176    
H         -3.858053162         2.462065130         1.709067011    
H         -3.081057513         1.108454163         1.806445410    
O          2.835336284        -1.986807085         1.348170747    
H          2.998692735        -1.079327911         1.656458940    
H          2.859870422        -1.955237037        0.3771478020    
O        -0.1530602373E-01   -0.2614619910E-02   -0.1232066387E-01
H        -0.8014694229        0.4891733077       -0.3516378779    
H        -0.2434000283       -0.9574752715       -0.5454198061E-01
O         0.7106415847        -2.989851978        -2.317273893    
H         0.2217768046        -2.380248254        -2.894210724    
H         0.1873297440        -3.010927907        -1.494361080    
O          3.197279117         2.320741548        0.1986175878    
H          2.435001158         2.918428100        0.3165540473    
H          2.924873662         1.728685833       -0.5274788551    
O         0.5606640608        0.6654610587         2.523946444    
H          1.530754685        0.6401571742         2.563491323    
H         0.3371778310        0.4252107870         1.597721650    
O         -3.050969065       -0.7558058003        -2.204624553    
H         -2.812255418        0.1088004234        -1.818110422    
H         -2.269183347        -1.021468664        -2.716446170    
    63
Energy=    -106.838995226490    
O         0.7168963167         1.154481532        -3.647917593    
H          1.270981494        0.9430975710        -2.846200146    
H          1.313189415         1.195803477        -4.395652560    
O        -0.5747161047         3.082950584         2.286357404    
H         -1.477515416         2.824233628         2.034072375    
H        -0.1449503217         2.245070868         2.557400684    
O        -0.5360442780         3.276743925        -2.033324356    
H        -0.2860966617E-01     2.713284094        -2.632135944    
H         0.4096769205E-01     3.481575292        -1.273818644    
O         0.8963874701         3.794908234        0.2628465028    
H         0.3100139693         3.504674844         1.023662129    
H          1.035330369         4.733057921        0.3987022217    
O         -3.254487086       -0.4414341017         2.193807272    
H         -2.508869271       -0.7629986385         2.746319312    
H         -3.285740208        -1.028905129         1.421779572    
O         -2.052005322         1.409051757       -0.9340625876    
H         -1.608605165         2.170887948        -1.375209255    
H         -2.457913993         1.748464383       -0.1155501395    
O         -1.060453585        -1.282725337         3.508548307    
H        -0.4856645414       -0.5126712267         3.349167232    
H        -0.5640245040        -2.034346822         3.153576260    
O         0.6467433249        -3.136846372         2.255093898    
H          1.473011442        -2.668394354         1.962589913    
H         0.9296194718        -3.986269040         2.593373978    
O        -0.6620216470        -2.602214038       -0.2986215270E-01
H         -1.631252881        -2.572331957        0.6704808796E-01
H        -0.2875971996        -2.890965172        0.8243368445    
O          2.949683593        -1.997874874        -1.433358184    
H          2.109523673        -2.400600462        -1.797208644    
H          3.673884363        -2.526355858        -1.766361456    
O          2.069296214        0.5326712552        -1.502163170    
H          2.519856525       -0.3314137974        -1.523913859    
H          1.289752378        0.3841151509       -0.9065172103    
O        -0.7392772631        -1.087489371        -3.722037000    
H         -1.042218762        -1.153804344        -4.626314622    
H        -0.2820903716       -0.2200775754        -3.638306634    
O         -3.312578575        -2.156480983       -0.1475651286E-01
H         -3.259018116        -1.620161349       -0.8556254234    
H         -4.083136471        -2.717363283       -0.9994573727E-01
O          3.267980489        0.6178988742         2.177949217    
H          3.960454929        0.8741524549         2.785668326    
H          3.287576709         1.282610800         1.431620938    
O         -3.019694559         2.056092142         1.503927568    
H         -3.862323304         2.456254672         1.716263870    
H         -3.081649243         1.105729522         1.815288722    
O          2.837025279        -1.989779206         1.347700317    
H          3.001314475        -1.082538477         1.653673699    
H          2.860025684        -1.959303025        0.3756813312    
O        -0.1487847839E-01   -0.3593986245E-02    0.2046861716E-02
H        -0.7957742594        0.4933892183       -0.3402247188    
H        -0.2432698093       -0.9584899314       -0.4770769274E-01
O         0.7051333685        -2.987555452        -2.324064155    
H         0.2225495849        -2.371755294        -2.897998440    
H         0.1886133444        -3.008099522        -1.496049309    
O          3.200016040         2.317282583        0.1963477679    
H          2.430517482         2.906160724        0.2976175074    
H          2.947564373         1.716327041       -0.5293863008    
O         0.5634399175        0.6685838060         2.533958154    
H          1.533536688        0.6407068706         2.571960909    
H         0.3389936923        0.4216673851         1.609773877    
O         -3.054545506       -0.7462692798        -2.199924041    
H         -2.810841255        0.1140283294        -1.804020340    
H         -2.271601502        -1.016091031        -2.705034750    
    63
Energy=    -106.839028631900    
O         0.7216907572         1.160708763        -3.641056232    
H          1.276637903        0.9478251904        -2.839755040    
H          1.316400411         1.208804469        -4.390838009    
O        -0.5730555311         3.083165113         2.279674981    
H         -1.476853655         2.823407294         2.032030527    
H        -0.1427289161         2.246352414         2.553609454    
O        -0.5445321758         3.277681962        -2.041143496    
H        -0.3680241422E-01     2.710095724        -2.636162851    
H         0.3197555110E-01     3.484092304        -1.281690937    
O         0.8921050046         3.790453771        0.2503627847    
H         0.3086348606         3.501317254         1.013504966    
H          1.035173521         4.727432262        0.3889558091    
O         -3.255445884       -0.4430082518         2.194504292    
H         -2.509280529       -0.7641420163         2.746794764    
H         -3.286133657        -1.029799119         1.422177136    
O         -2.051955132         1.408765542       -0.9327101968    
H         -1.611058275         2.171327023        -1.377228219    
H         -2.456774086         1.749954060       -0.1144574655    
O         -1.060390634        -1.284078893         3.508832134    
H        -0.4860693395       -0.5124671249         3.350751442    
H        -0.5642677430        -2.034089273         3.152932692    
O         0.6466409779        -3.137184376         2.255045487    
H          1.473227102        -2.668902535         1.961824991    
H         0.9294871519        -3.985752807         2.593236023    
O        -0.6618765303        -2.603948062       -0.3036648596E-01
H         -1.631591055        -2.574656783        0.6637042820E-01
H        -0.2868190920        -2.892791416        0.8232404659    
O          2.949251249        -2.002199756        -1.432423202    
H          2.108732592        -2.402920085        -1.797731133    
H          3.672725905        -2.530968583        -1.765764306    
O          2.071238761        0.5286344207        -1.498534357    
H          2.521374453       -0.3346737171        -1.519394826    
H          1.291663006        0.3816605235       -0.9019169045    
O        -0.7382833801        -1.080129425        -3.717812724    
H         -1.041191241        -1.144613776        -4.622888083    
H        -0.2774994500       -0.2125705744        -3.635884898    
O         -3.312733634        -2.157646525       -0.1443612554E-01
H         -3.259574677        -1.619320130       -0.8544031089    
H         -4.082824741        -2.717945024       -0.9978903262E-01
O          3.268641601        0.6169029632         2.178930651    
H          3.960969241        0.8729121806         2.787076038    
H          3.287405395         1.281817654         1.433684744    
O         -3.019635210         2.055523697         1.505832739    
H         -3.863158949         2.455011998         1.717812110    
H         -3.081734244         1.105150791         1.816178702    
O          2.837218220        -1.990659382         1.347668046    
H          3.001841205        -1.082493534         1.653304041    
H          2.859872908        -1.961212654        0.3765604239    
O        -0.1373775228E-01   -0.4241227998E-02    0.1882615869E-02
H        -0.7955857229        0.4937912453       -0.3371131380    
H        -0.2434516057       -0.9580636580       -0.4535137470E-01
O         0.7046817646        -2.987192408        -2.325191550    
H         0.2225603920        -2.369155988        -2.898997374    
H         0.1890710273        -3.007503300        -1.497005367    
O          3.202498477         2.318489427        0.1944673599    
H          2.428249070         2.903238346        0.2941708166    
H          2.951524126         1.712907181       -0.5287085908    
O         0.5645443821        0.6694954455         2.536066686    
H          1.534525239        0.6409201586         2.574228070    
H         0.3386828145        0.4208067430         1.612553124    
O         -3.055508819       -0.7443563970        -2.197311893    
H         -2.810821599        0.1149769463        -1.801891218    
H         -2.271358291        -1.014178464        -2.702796923    
    63
Energy=    -106.839199015050    
O         0.7359877394         1.190084255        -3.615650125    
H          1.300404715        0.9700478770        -2.823018710    
H          1.332506109         1.268888023        -4.361099994    
O        -0.5675073048         3.083579828         2.253752055    
H         -1.474020570         2.819105332         2.021684143    
H        -0.1350080456         2.250811529         2.535570745    
O        -0.5664386853         3.273293700        -2.065837513    
H        -0.6620216163E-01     2.689361754        -2.648916615    
H         0.8472284484E-02     3.479101775        -1.303712000    
O         0.8768417071         3.783464227        0.2115592838    
H         0.3025066995         3.489451889        0.9805709754    
H          1.033921215         4.717144836        0.3534665270    
O         -3.256783543       -0.4466497873         2.196396173    
H         -2.511478274       -0.7683746440         2.749218136    
H         -3.288158044        -1.034272935         1.424706223    
O         -2.048774055         1.408313751       -0.9266961786    
H         -1.617249306         2.168567974        -1.385104420    
H         -2.455698349         1.756561756       -0.1113688070    
O         -1.060226212        -1.286840249         3.511575714    
H        -0.4888632871       -0.5127487500         3.357778540    
H        -0.5635276467        -2.033939336         3.149425548    
O         0.6475376873        -3.137339157         2.253997424    
H          1.473325161        -2.669506510         1.958361912    
H         0.9303125766        -3.986717848         2.594326154    
O        -0.6607989981        -2.607234095       -0.3183551856E-01
H         -1.631048209        -2.585884669        0.6339144944E-01
H        -0.2831382810        -2.900488004        0.8193834471    
O          2.946306125        -2.018827033        -1.430150062    
H          2.104264787        -2.418598711        -1.793909969    
H          3.668985891        -2.547600138        -1.767401895    
O          2.077990904        0.5197436659        -1.486156561    
H          2.529791679       -0.3420287435        -1.509849352    
H          1.301005104        0.3702326958       -0.8848515811    
O        -0.7400383886        -1.050504616        -3.708162456    
H         -1.042641040        -1.125324400        -4.614550909    
H        -0.2646527669       -0.1902960297        -3.641832213    
O         -3.314008568        -2.160599736       -0.1190013876E-01
H         -3.268183926        -1.615798939       -0.8478616000    
H         -4.083709757        -2.723590622       -0.9770605042E-01
O          3.270982125        0.6159519218         2.183774064    
H          3.964534980        0.8674819188         2.792848420    
H          3.284490944         1.280118306         1.438459596    
O         -3.019806983         2.054124471         1.510858048    
H         -3.863943685         2.450451571         1.723765024    
H         -3.080331996         1.102039649         1.815773199    
O          2.836551456        -1.992825715         1.352467012    
H          3.003414154        -1.083154149         1.651772061    
H          2.857940855        -1.971745392        0.3810366579    
O        -0.9627157750E-02   -0.3213687435E-02    0.2493355126E-02
H        -0.7941213602        0.4965194384       -0.3298913938    
H        -0.2424734327       -0.9557251808       -0.3992809147E-01
O         0.7052705514        -2.989425270        -2.329894027    
H         0.2257949903        -2.362896886        -2.896706811    
H         0.1923479410        -3.003685311        -1.500008478    
O          3.206410903         2.321585222        0.1904496962    
H          2.417334504         2.890162449        0.2792116436    
H          2.961805027         1.705075671       -0.5244665845    
O         0.5670750210        0.6722707843         2.542614009    
H          1.536990208        0.6404826772         2.581579988    
H         0.3411232399        0.4178172100         1.620988681    
O         -3.058843734       -0.7370456442        -2.186077476    
H         -2.815497502        0.1236941146        -1.793151133    
H         -2.272914912        -1.001890484        -2.692049758    
    63
Energy=    -106.839246853350    
O         0.7386040794         1.195992836        -3.611424549    
H          1.303759991        0.9753816762        -2.820801459    
H          1.336360562         1.282432598        -4.353133271    
O        -0.5668575279         3.083307381         2.249238833    
H         -1.473473396         2.818455105         2.018746226    
H        -0.1335110669         2.251348384         2.531611784    
O        -0.5696286096         3.270699839        -2.069033399    
H        -0.7133222298E-01     2.683866047        -2.652163325    
H         0.6523825130E-02     3.474748555        -1.306871462    
O         0.8758196736         3.783544742        0.2067959724    
H         0.3008129552         3.488354077        0.9752142909    
H          1.033075481         4.717348788        0.3469069677    
O         -3.256348282       -0.4466004779         2.196447412    
H         -2.512095564       -0.7691873596         2.749876516    
H         -3.288639440        -1.035458290         1.425463995    
O         -2.047730511         1.408428862       -0.9252982986    
H         -1.617728151         2.167334016        -1.386221830    
H         -2.456280991         1.757864250       -0.1108293265    
O         -1.060403056        -1.286922620         3.512247451    
H        -0.4894271381       -0.5131372955         3.359388663    
H        -0.5629397852        -2.033832833         3.148715094    
O         0.6478207517        -3.138130117         2.253593357    
H          1.473342873        -2.669317224         1.958091829    
H         0.9305843473        -3.986693950         2.594663609    
O        -0.6602289340        -2.606938763       -0.3228712218E-01
H         -1.630025757        -2.588197607        0.6289204733E-01
H        -0.2828490960        -2.901876521        0.8187043783    
O          2.945949797        -2.022533757        -1.429370574    
H          2.103861683        -2.422742742        -1.792072041    
H          3.668266065        -2.550579777        -1.768544938    
O          2.080953926        0.5197640238        -1.482584527    
H          2.531609394       -0.3428460092        -1.510714788    
H          1.302983672        0.3676661765       -0.8830412349    
O        -0.7404138849        -1.045131186        -3.708584017    
H         -1.044048788        -1.124745162        -4.613942184    
H        -0.2636776086       -0.1862779303        -3.644781527    
O         -3.315205362        -2.161296933       -0.1100893364E-01
H         -3.270699983        -1.615303355       -0.8462637010    
H         -4.083811933        -2.725021262       -0.9690058780E-01
O          3.270854914        0.6165168870         2.184441603    
H          3.965259260        0.8666872737         2.793124112    
H          3.284638180         1.280767010         1.438850108    
O         -3.019808950         2.053592132         1.511080279    
H         -3.863861439         2.449904438         1.725082920    
H         -3.079792934         1.101164547         1.815113293    
O          2.836221351        -1.992986359         1.354184375    
H          3.003558328        -1.083586196         1.651556068    
H          2.857518674        -1.974378922        0.3819912021    
O        -0.1012089169E-01   -0.2392503202E-02    0.5634238486E-02
H        -0.7928074901        0.4971460966       -0.3302954767    
H        -0.2419130560       -0.9553675666       -0.4044911853E-01
O         0.7047821222        -2.990536213        -2.331065379    
H         0.2273413567        -2.361867495        -2.895334314    
H         0.1927568273        -3.003106387        -1.499887660    
O          3.204232866         2.320270971        0.1921187535    
H          2.415249201         2.888710923        0.2761069200    
H          2.963273605         1.704263171       -0.5244343331    
O         0.5668931764        0.6722033895         2.543416259    
H          1.536992887        0.6400683016         2.582607103    
H         0.3427459436        0.4174604938         1.621537297    
O         -3.059176972       -0.7355809104        -2.184347068    
H         -2.817674917        0.1265386867        -1.790756160    
H         -2.273622927       -0.9985003512        -2.689490871    
    63
Energy=    -106.839694568750    
O         0.7690543434         1.240385953        -3.581122810    
H          1.323270980        0.9827293623        -2.792986685    
H          1.381829222         1.451684021        -4.284420497    
O        -0.5588537029         3.079128198         2.204039088    
H         -1.467128816         2.814162944         1.979633358    
H        -0.1249429494         2.250474968         2.496621566    
O        -0.5959574355         3.240580275        -2.108509723    
H        -0.1021049499         2.643205455        -2.691257852    
H        -0.8914695046E-02     3.447036101        -1.356130872    
O         0.8710227503         3.777001546        0.1531194793    
H         0.2963904617         3.491984380        0.9254877993    
H          1.014454044         4.716171858        0.2722738720    
O         -3.254201498       -0.4506829041         2.200183276    
H         -2.510296663       -0.7719888293         2.755107380    
H         -3.290197447        -1.044824782         1.433751744    
O         -2.050225982         1.402805077       -0.9076119493    
H         -1.631467247         2.161085082        -1.382064364    
H         -2.461408544         1.754227392       -0.9694459694E-01
O         -1.058584702        -1.291968486         3.516908382    
H        -0.4907038025       -0.5142995039         3.369579741    
H        -0.5591214409        -2.033439437         3.145941585    
O         0.6437482501        -3.146463642         2.249657112    
H          1.469508530        -2.670807225         1.966345270    
H         0.9311726984        -3.988274437         2.601962921    
O        -0.6583932976        -2.605115222       -0.3869224515E-01
H         -1.627762272        -2.585618530        0.5761028617E-01
H        -0.2801025300        -2.902566524        0.8106025543    
O          2.950213852        -2.055410915        -1.424558557    
H          2.104629462        -2.453474464        -1.779864502    
H          3.667689060        -2.582516786        -1.774526055    
O          2.101515258        0.5005863817        -1.470522348    
H          2.537374279       -0.3680408906        -1.525291581    
H          1.324970348        0.3492025515       -0.8694518336    
O        -0.7303481502        -1.012126501        -3.704154258    
H         -1.043616473        -1.092044911        -4.605115279    
H        -0.2633821674       -0.1513652447        -3.638488151    
O         -3.319672178        -2.173386744       -0.5227349080E-02
H         -3.276824890        -1.622160304       -0.8367846311    
H         -4.088154018        -2.736370011       -0.9221605523E-01
O          3.270838420        0.6161397159         2.186478010    
H          3.972357692        0.8647589361         2.787228455    
H          3.279058722         1.287840946         1.446880635    
O         -3.024674531         2.047640011         1.512784609    
H         -3.863701195         2.444955470         1.744389050    
H         -3.080430023         1.093908305         1.814123629    
O          2.838993070        -1.998992985         1.365923316    
H          3.000260067        -1.084552165         1.653088113    
H          2.865844708        -1.993749713        0.3942834216    
O        -0.3504946133E-02   -0.7206602185E-02    0.1518649369E-01
H        -0.7798143563        0.4989691144       -0.3255291721    
H        -0.2430979235       -0.9576442069       -0.3870564291E-01
O         0.6895768255        -2.986008805        -2.337012599    
H         0.2323074951        -2.332750642        -2.889940727    
H         0.1691988947        -3.010312149        -1.511421563    
O          3.191676387         2.320756774        0.2076452075    
H          2.401596489         2.890719653        0.2662052581    
H          2.972312953         1.692317211       -0.5049261038    
O         0.5676440501        0.6697913186         2.551515105    
H          1.537170208        0.6393526681         2.596576531    
H         0.3487939521        0.4134737289         1.628599361    
O         -3.067325912       -0.7211803500        -2.167396411    
H         -2.840137449        0.1378377095        -1.757114753    
H         -2.272910181       -0.9648115962        -2.668233961    
    63
Energy=    -106.839712846730    
O         0.7718178921         1.239737440        -3.581976896    
H          1.325436791        0.9797839885        -2.794305245    
H          1.385848127         1.479444314        -4.278070053    
O        -0.5586216297         3.078361904         2.199321792    
H         -1.466886478         2.813541221         1.975131725    
H        -0.1245785581         2.250326105         2.493189357    
O        -0.5931172572         3.235420433        -2.110837422    
H        -0.9875632064E-01     2.634204242        -2.689205283    
H        -0.7997622097E-02     3.445356871        -1.358633281    
O         0.8697831099         3.779120275        0.1483149365    
H         0.2974475696         3.493880280        0.9223195452    
H          1.011519458         4.718731762        0.2658262326    
O         -3.253270045       -0.4509237402         2.200400769    
H         -2.509455731       -0.7722639814         2.755554160    
H         -3.290100094        -1.045958560         1.434722672    
O         -2.049649523         1.401931189       -0.9057886543    
H         -1.631768158         2.159471075        -1.381857901    
H         -2.462063461         1.754193940       -0.9582335642E-01
O         -1.058446822        -1.292175490         3.516972310    
H        -0.4902491459       -0.5148088524         3.370350879    
H        -0.5588934785        -2.033813246         3.146149301    
O         0.6434161842        -3.146143607         2.250698516    
H          1.469435922        -2.671778906         1.966567192    
H         0.9304649611        -3.988736974         2.602805213    
O        -0.6593978004        -2.603560293       -0.3853596982E-01
H         -1.628923459        -2.585188458        0.5856979957E-01
H        -0.2809183859        -2.902767844        0.8097515388    
O          2.950040251        -2.057730734        -1.423321471    
H          2.104337262        -2.454309388        -1.779821757    
H          3.666885677        -2.584176398        -1.775565069    
O          2.103004096        0.4978178891        -1.471845027    
H          2.537915802       -0.3712767794        -1.525544873    
H          1.326576862        0.3474987472       -0.8706062886    
O        -0.7332623399        -1.009675692        -3.703010324    
H         -1.043380075        -1.092610277        -4.604644749    
H        -0.2617386460       -0.1513022518        -3.640490419    
O         -3.319749697        -2.174569135       -0.5078010277E-02
H         -3.277473245        -1.622967142       -0.8366055068    
H         -4.088255840        -2.737660313       -0.9153624817E-01
O          3.269620293        0.6164098166         2.187611951    
H          3.973535751        0.8644058037         2.786109533    
H          3.277571446         1.288164206         1.448349522    
O         -3.024824527         2.047024254         1.513896466    
H         -3.864217546         2.445133330         1.746877126    
H         -3.080886137         1.093282643         1.814293293    
O          2.838307529        -1.999043648         1.366923268    
H          3.000366304        -1.084750953         1.654095635    
H          2.867419462        -1.995389729        0.3954377097    
O        -0.2529176170E-02   -0.6810359043E-02    0.1585123257E-01
H        -0.7790024535        0.4981460503       -0.3252800366    
H        -0.2420176904       -0.9576354079       -0.3944396715E-01
O         0.6883351145        -2.984786330        -2.337453593    
H         0.2321492165        -2.330448628        -2.890227311    
H         0.1669172188        -3.011210113        -1.512683920    
O          3.189813169         2.322181337        0.2087712549    
H          2.400109469         2.892824762        0.2672522547    
H          2.971093367         1.692208648       -0.5030239976    
O         0.5677396587        0.6702634284         2.551353338    
H          1.537107126        0.6391791715         2.597552649    
H         0.3494190425        0.4119352262         1.628417906    
O         -3.069010151       -0.7205903529        -2.163876316    
H         -2.842686073        0.1381623132        -1.753985804    
H         -2.274795463       -0.9623214805        -2.666850846    
    63
Energy=    -106.839904018390    
O         0.7791471914         1.248469762        -3.580844622    
H          1.329100885        0.9757998977        -2.793908656    
H          1.394734645         1.513773959        -4.264190886    
O        -0.5584106371         3.079144506         2.188387672    
H         -1.467593497         2.815519637         1.966767253    
H        -0.1271220135         2.250692523         2.485273311    
O        -0.5942751238         3.231487014        -2.110882367    
H        -0.1111212015         2.631566902        -2.698260098    
H         0.2574420959E-02     3.437453057        -1.366472502    
O         0.8790615222         3.789746949        0.1443492990    
H         0.3055179739         3.501089854        0.9155957641    
H         0.9940211977         4.734271076        0.2501324495    
O         -3.250987215       -0.4546747386         2.203026272    
H         -2.504360512       -0.7738903315         2.755720892    
H         -3.286726665        -1.047087058         1.435287127    
O         -2.048384761         1.396122986       -0.8986197428    
H         -1.630305484         2.153668684        -1.373874840    
H         -2.462420728         1.749348913       -0.8955881911E-01
O         -1.055016298        -1.291581518         3.519710707    
H        -0.4854975957       -0.5162198468         3.364560037    
H        -0.5597622442        -2.036478695         3.150384889    
O         0.6403297931        -3.146159236         2.250663165    
H          1.469025463        -2.675685507         1.967955819    
H         0.9216391851        -3.988505860         2.607011680    
O        -0.6643246592        -2.601607751       -0.3459996561E-01
H         -1.633641799        -2.576457290        0.6487754618E-01
H        -0.2872825208        -2.898297655        0.8153844266    
O          2.949506794        -2.069546791        -1.421438590    
H          2.102180584        -2.459200599        -1.780810771    
H          3.663688070        -2.597001824        -1.777818858    
O          2.105942009        0.4874388544        -1.477158581    
H          2.543919769       -0.3807081852        -1.522874925    
H          1.326642429        0.3386917397       -0.8785290910    
O        -0.7338848942       -0.9979077574        -3.700091548    
H         -1.032362083        -1.080973135        -4.606592401    
H        -0.2548400112       -0.1445453649        -3.637393154    
O         -3.322431509        -2.175200716       -0.2960756057E-02
H         -3.276225148        -1.628603251       -0.8375191489    
H         -4.088387899        -2.741716707       -0.9175568941E-01
O          3.266720100        0.6171162469         2.193056555    
H          3.977092888        0.8611589615         2.784982061    
H          3.271907714         1.286542720         1.451776963    
O         -3.032505972         2.047084179         1.521821133    
H         -3.868259553         2.446918831         1.760608393    
H         -3.087348311         1.093931618         1.824915568    
O          2.841245602        -1.999891055         1.371965978    
H          2.999292839        -1.084902903         1.659780230    
H          2.872468601        -1.994806429        0.4007670983    
O         0.5689259544E-02   -0.7894711226E-02    0.9183389791E-02
H        -0.7750462947        0.4963670852       -0.3241727378    
H        -0.2319291730       -0.9594871448       -0.4278846023E-01
O         0.6826604021        -2.978252512        -2.343446705    
H         0.2244808708        -2.322747888        -2.894419580    
H         0.1667827377        -3.003824409        -1.515834256    
O          3.186225254         2.317513523        0.2073880863    
H          2.406570045         2.901091963        0.2694390406    
H          2.957264476         1.696218543       -0.5085202202    
O         0.5636954901        0.6672925811         2.546063265    
H          1.533076722        0.6400240467         2.596907684    
H         0.3505948693        0.4090071198         1.622128539    
O         -3.069129610       -0.7281755703        -2.164700323    
H         -2.838955630        0.1277034966        -1.750688470    
H         -2.277749657       -0.9694671882        -2.671636045    
    63
Energy=    -106.839959748090    
O         0.7843743662         1.252650647        -3.580758786    
H          1.337472870        0.9796056082        -2.796244000    
H          1.395977068         1.526873758        -4.263812952    
O        -0.5585193182         3.080621774         2.183171563    
H         -1.468231424         2.817010425         1.964928300    
H        -0.1284498153         2.251053692         2.477984807    
O        -0.5956428082         3.227858083        -2.107144194    
H        -0.1114655216         2.627955924        -2.694771173    
H         0.2998665052E-02     3.436908517        -1.365055851    
O         0.8791825979         3.798947707        0.1399638131    
H         0.3077866616         3.505806440        0.9108365952    
H         0.9852012139         4.744669494        0.2460825815    
O         -3.249424295       -0.4550529000         2.205719992    
H         -2.502857902       -0.7758451690         2.757751432    
H         -3.286568242        -1.046408987         1.437451283    
O         -2.048803983         1.392432287       -0.8945317481    
H         -1.629045917         2.150367585        -1.368289087    
H         -2.462621850         1.745184164       -0.8575825081E-01
O         -1.053403371        -1.291561996         3.521422632    
H        -0.4849012809       -0.5164663478         3.362086515    
H        -0.5587914418        -2.037612999         3.153204997    
O         0.6398552467        -3.145537124         2.252830485    
H          1.469682221        -2.677508078         1.968896808    
H         0.9182915129        -3.988866392         2.608711130    
O        -0.6646777146        -2.599305821       -0.3312104243E-01
H         -1.634302064        -2.574721108        0.6457735244E-01
H        -0.2871241526        -2.896967367        0.8163291427    
O          2.949421834        -2.074969865        -1.420711515    
H          2.100001026        -2.459116769        -1.781247261    
H          3.661777932        -2.604896545        -1.777522179    
O          2.109690291        0.4844238622        -1.478409182    
H          2.549456063       -0.3829307884        -1.524391514    
H          1.328738950        0.3355264443       -0.8816297459    
O        -0.7308626532       -0.9929422146        -3.703404945    
H         -1.025926678        -1.076093341        -4.610612158    
H        -0.2529157627       -0.1389426022        -3.637673664    
O         -3.324066961        -2.177211967       -0.2419579026E-02
H         -3.280593534        -1.629565026       -0.8361278151    
H         -4.088757225        -2.745618430       -0.9006124966E-01
O          3.264681358        0.6180002384         2.193918844    
H          3.977742747        0.8597315375         2.783742149    
H          3.272141073         1.284391970         1.449843303    
O         -3.035751015         2.048259491         1.526325846    
H         -3.870821486         2.446746656         1.769730238    
H         -3.089276666         1.094730072         1.827678120    
O          2.840285989        -2.000863020         1.375381848    
H          2.998959873        -1.085544072         1.663133913    
H          2.872797951        -1.996989915        0.4046872004    
O         0.8021767385E-02   -0.1186589921E-01    0.7026417436E-02
H        -0.7726444555        0.4930417539       -0.3254404675    
H        -0.2322301219       -0.9630628738       -0.4396653857E-01
O         0.6779731277        -2.974471365        -2.343278220    
H         0.2208926615        -2.318638186        -2.893606221    
H         0.1620572764        -2.997691960        -1.515226739    
O          3.185398841         2.314091133        0.2054301176    
H          2.410285633         2.903199642        0.2659378167    
H          2.951975011         1.692018383       -0.5080721228    
O         0.5612454895        0.6696587587         2.542231504    
H          1.530105241        0.6393896806         2.596692557    
H         0.3517532039        0.4090285134         1.618001129    
O         -3.067625014       -0.7315860269        -2.166190430    
H         -2.834748167        0.1239052172        -1.752877632    
H         -2.278663822       -0.9744767015        -2.675844690    
    63
Energy=    -106.840037420740    
O         0.7891026920         1.261977392        -3.580776443    
H          1.343223829        0.9879521345        -2.797783536    
H          1.399432497         1.526138641        -4.269418530    
O        -0.5589267789         3.083216255         2.175602026    
H         -1.470256184         2.821857406         1.961701489    
H        -0.1287917792         2.253391030         2.469583619    
O        -0.6017251182         3.224578540        -2.101094267    
H        -0.1118683522         2.630341263        -2.689468777    
H        -0.3159921522E-02     3.441234058        -1.360986219    
O         0.8807122951         3.808324109        0.1371438169    
H         0.3073922318         3.513106532        0.9057111468    
H         0.9786037691         4.755152939        0.2412886943    
O         -3.249263786       -0.4556909887         2.209661131    
H         -2.502459838       -0.7760948045         2.761549890    
H         -3.286971775        -1.047429349         1.441827682    
O         -2.048750211         1.385380227       -0.8876166613    
H         -1.631647793         2.144611217        -1.361507748    
H         -2.466352731         1.737374508       -0.8040883613E-01
O         -1.051782633        -1.291120990         3.522954775    
H        -0.4853974092       -0.5149296318         3.360355191    
H        -0.5555590372        -2.036838236         3.156753144    
O         0.6383104502        -3.147048014         2.254223244    
H          1.468668993        -2.678083968         1.973395880    
H         0.9164644169        -3.990346764         2.610443626    
O        -0.6678085177        -2.601723243       -0.3128984761E-01
H         -1.637308700        -2.576509067        0.6806578982E-01
H        -0.2887625683        -2.897249137        0.8182188590    
O          2.948679703        -2.079558065        -1.419540532    
H          2.096830078        -2.459269991        -1.779035504    
H          3.657052496        -2.616831857        -1.773286927    
O          2.115467162        0.4790710905        -1.481211348    
H          2.554945176       -0.3884667393        -1.527489359    
H          1.334121310        0.3287654483       -0.8857080656    
O        -0.7272409958       -0.9832605063        -3.709466690    
H         -1.013250736        -1.062994246        -4.619974602    
H        -0.2489412710       -0.1299614645        -3.637150168    
O         -3.326327767        -2.177002897       -0.1149420959E-02
H         -3.282155691        -1.633570394       -0.8373951365    
H         -4.087962587        -2.749644773       -0.8788518900E-01
O          3.264618799        0.6153932811         2.190944758    
H          3.976450234        0.8590005493         2.781655655    
H          3.270538732         1.283031613         1.448132027    
O         -3.039463707         2.048485996         1.530882174    
H         -3.872734901         2.446529578         1.781186362    
H         -3.089581776         1.095182943         1.833269750    
O          2.840398907        -2.003413809         1.378712204    
H          2.997269495        -1.087637452         1.664856384    
H          2.871947327        -1.999918921        0.4076396915    
O         0.1155204957E-01   -0.1422753388E-01    0.2896872773E-02
H        -0.7712101341        0.4894406386       -0.3276526369    
H        -0.2291438495       -0.9651955630       -0.4468460323E-01
O         0.6737724155        -2.968141723        -2.340896550    
H         0.2203006911        -2.310648234        -2.892532033    
H         0.1548748682        -2.992786199        -1.514850169    
O          3.185902247         2.312537759        0.2032376221    
H          2.413615048         2.905160279        0.2593902519    
H          2.951197707         1.685751108       -0.5059944757    
O         0.5588199801        0.6691216490         2.537069132    
H          1.527519462        0.6413882139         2.593710030    
H         0.3516310095        0.4086246367         1.612066312    
O         -3.063038076       -0.7363973099        -2.168828368    
H         -2.830171728        0.1189836879        -1.755450546    
H         -2.274888614       -0.9783552474        -2.680086562    
    63
Energy=    -106.840078955660    
O         0.7957803649         1.271629503        -3.579597267    
H          1.348879103        0.9906872138        -2.798881256    
H          1.407148202         1.528349068        -4.270109595    
O        -0.5595241085         3.085685472         2.167999075    
H         -1.471183149         2.824378863         1.954078198    
H        -0.1289760407         2.255726101         2.461689346    
O        -0.6095150358         3.222529850        -2.094906950    
H        -0.1147730563         2.633002699        -2.683626741    
H        -0.1228487087E-01     3.444313321        -1.355092803    
O         0.8811699522         3.814715750        0.1320742445    
H         0.3083367262         3.520157397        0.9014841524    
H         0.9816684836         4.761256946        0.2352294059    
O         -3.250830370       -0.4576503752         2.214926225    
H         -2.502704515       -0.7768138439         2.765689532    
H         -3.288606008        -1.047846228         1.446082908    
O         -2.052661729         1.378988740       -0.8834749585    
H         -1.636066763         2.138436446        -1.357503838    
H         -2.469999234         1.731525608       -0.7651994938E-01
O         -1.050130630        -1.288370770         3.525076459    
H        -0.4841058190       -0.5116381389         3.360905279    
H        -0.5537965763        -2.034352324         3.158380295    
O         0.6371452479        -3.148781106         2.258666399    
H          1.466806660        -2.680403565         1.974490039    
H         0.9168070729        -3.992816624         2.611526046    
O        -0.6709862143        -2.605722079       -0.2717977040E-01
H         -1.640304879        -2.578015201        0.7346189477E-01
H        -0.2922720011        -2.902951165        0.8216786018    
O          2.947704065        -2.087048103        -1.413843361    
H          2.094095958        -2.462271494        -1.773877164    
H          3.652026413        -2.629593050        -1.766402387    
O          2.121027281        0.4762777439        -1.485713621    
H          2.559276054       -0.3914798932        -1.532164691    
H          1.339380178        0.3253933129       -0.8911725907    
O        -0.7200230591       -0.9723384082        -3.715661673    
H         -1.001888432        -1.050155367        -4.627564738    
H        -0.2434734028       -0.1182089351        -3.640964293    
O         -3.327203077        -2.177710333        0.9453913170E-03
H         -3.279186913        -1.636807772       -0.8363848051    
H         -4.088518664        -2.750903275       -0.8853728600E-01
O          3.261947493        0.6153022681         2.189547014    
H          3.974708093        0.8572385676         2.780061463    
H          3.268393417         1.283242390         1.447256673    
O         -3.040464725         2.046266904         1.535737578    
H         -3.871945488         2.446365798         1.789473585    
H         -3.090465666         1.093029851         1.838465157    
O          2.838029549        -2.006782875         1.379982467    
H          2.996922641        -1.090729310         1.663955421    
H          2.870614279        -2.005021100        0.4088071713    
O         0.1585165296E-01   -0.1885703180E-01   -0.2140575311E-02
H        -0.7681988058        0.4857350943       -0.3273712486    
H        -0.2274528466       -0.9694869627       -0.4629051052E-01
O         0.6693209659        -2.962044338        -2.341606587    
H         0.2194201403        -2.299993467        -2.891386292    
H         0.1496383270        -2.990178377        -1.516149088    
O          3.182935278         2.313679773        0.2015224184    
H          2.409657827         2.905449359        0.2540529033    
H          2.953139595         1.688019541       -0.5100980493    
O         0.5582490687        0.6723195186         2.531937613    
H          1.526901830        0.6430038716         2.589022460    
H         0.3503638842        0.4075880777         1.608303467    
O         -3.058661236       -0.7421941038        -2.169882691    
H         -2.831510001        0.1128824117        -1.751824909    
H         -2.269121386       -0.9752542439        -2.683069713    
    63
Energy=    -106.840088619630    
O         0.7964558471         1.272130374        -3.580091308    
H          1.349770441        0.9911534775        -2.799186019    
H          1.408006624         1.528910774        -4.270431402    
O        -0.5595759323         3.086158617         2.167106137    
H         -1.471062396         2.824503244         1.953342683    
H        -0.1291297509         2.256145213         2.460682187    
O        -0.6104899823         3.222117733        -2.093888186    
H        -0.1147346917         2.633258645        -2.682277598    
H        -0.1345511167E-01     3.444853001        -1.354103404    
O         0.8812824951         3.815452043        0.1316832387    
H         0.3083534290         3.521186417        0.9010832768    
H         0.9823949571         4.761963444        0.2349499531    
O         -3.251180409       -0.4577622684         2.215652801    
H         -2.502762243       -0.7770783648         2.766121904    
H         -3.288755939        -1.047998861         1.446705010    
O         -2.052972155         1.378286555       -0.8829531143    
H         -1.636518649         2.137705662        -1.357243071    
H         -2.470444917         1.730836194       -0.7599513045E-01
O         -1.049557780        -1.287756418         3.525098583    
H        -0.4840241153       -0.5113892495         3.361013293    
H        -0.5537540640        -2.033748476         3.158772089    
O         0.6370611971        -3.149014054         2.259035775    
H          1.466483620        -2.680582300         1.974652343    
H         0.9168243234        -3.993379627         2.611844950    
O        -0.6713033889        -2.606421233       -0.2668594422E-01
H         -1.640604298        -2.578258388        0.7406969613E-01
H        -0.2925934889        -2.903681807        0.8223453995    
O          2.947283515        -2.087882592        -1.413245293    
H          2.093411943        -2.462252561        -1.773347079    
H          3.651754910        -2.631204680        -1.765341424    
O          2.121642653        0.4757854326        -1.486387720    
H          2.560149711       -0.3919996761        -1.532503687    
H          1.339858580        0.3253109080       -0.8918710682    
O        -0.7190937781       -0.9707052108        -3.716564100    
H         -1.000711671        -1.049181936        -4.628578631    
H        -0.2425207901       -0.1167227584        -3.641500654    
O         -3.327573414        -2.177919896        0.1315436437E-02
H         -3.278728232        -1.637160689       -0.8362597526    
H         -4.088448909        -2.750873242       -0.8861788289E-01
O          3.261849753        0.6152618371         2.189180294    
H          3.974318904        0.8570583369         2.779802407    
H          3.268114690         1.283343367         1.447083076    
O         -3.040487464         2.046043551         1.536135963    
H         -3.871594995         2.446059554         1.790434279    
H         -3.090802661         1.092927329         1.839242489    
O          2.837901202        -2.007091504         1.379945695    
H          2.996721134        -1.091059192         1.664014654    
H          2.870263720        -2.005794703        0.4088124884    
O         0.1607482896E-01   -0.1956630542E-01   -0.2664142100E-02
H        -0.7679948777        0.4850864224       -0.3275808666    
H        -0.2272153712       -0.9701792370       -0.4651565844E-01
O         0.6688994953        -2.961163836        -2.341578009    
H         0.2191559001        -2.298972940        -2.890924178    
H         0.1488905222        -2.989585148        -1.516536341    
O          3.182420416         2.313912193        0.2012505099    
H          2.408958316         2.905656997        0.2536136231    
H          2.953438041         1.688375006       -0.5108950914    
O         0.5578279893        0.6726443258         2.531361133    
H          1.526668367        0.6432486465         2.588235719    
H         0.3505201519        0.4075691633         1.607796145    
O         -3.057998077       -0.7427386090        -2.170000944    
H         -2.831626417        0.1119499351        -1.751624091    
H         -2.268530604       -0.9750110347        -2.683481958    
    63
Energy=    -106.840105698570    
O         0.8002413490         1.274969206        -3.581477712    
H          1.352473258        0.9926578960        -2.800770452    
H          1.412128112         1.536225316        -4.269609505    
O        -0.5598148786         3.087382565         2.165522046    
H         -1.470338342         2.823756819         1.950690981    
H        -0.1280573142         2.257405423         2.457915470    
O        -0.6124229481         3.221196960        -2.092655879    
H        -0.1161308036         2.633241171        -2.681329188    
H        -0.1620835069E-01     3.444468624        -1.352466061    
O         0.8813592181         3.816876462        0.1304070872    
H         0.3082499573         3.523616713        0.9000764178    
H         0.9881358191         4.762525529        0.2357872962    
O         -3.252668155       -0.4593064729         2.218074459    
H         -2.503011885       -0.7776146196         2.767465265    
H         -3.290096169        -1.048897134         1.448936865    
O         -2.054034616         1.375945617       -0.8817748128    
H         -1.638140639         2.135649663        -1.356340766    
H         -2.470485099         1.728071989       -0.7414232581E-01
O         -1.048265228        -1.285413003         3.526343163    
H        -0.4827076797       -0.5091021517         3.359733499    
H        -0.5535778551        -2.032307722         3.159869800    
O         0.6365240142        -3.150864784         2.259576930    
H          1.465832838        -2.681850446         1.976035762    
H         0.9167082104        -3.994556019         2.613828887    
O        -0.6709349270        -2.609062650       -0.2566984641E-01
H         -1.639887174        -2.579335978        0.7494057670E-01
H        -0.2922394560        -2.904603009        0.8241506061    
O          2.946530071        -2.089430450        -1.413059532    
H          2.092323108        -2.462704056        -1.773226015    
H          3.650247703        -2.636822901        -1.760459305    
O          2.123187426        0.4745232846        -1.486564150    
H          2.561864303       -0.3931821967        -1.532137972    
H          1.341161396        0.3239897036       -0.8926779898    
O        -0.7182759299       -0.9660142285        -3.716695492    
H        -0.9985158843        -1.048112369        -4.628762790    
H        -0.2394372906       -0.1130839554        -3.645086869    
O         -3.328215775        -2.178203419        0.2526743682E-02
H         -3.277305383        -1.638224390       -0.8353047047    
H         -4.089447766        -2.750378149       -0.8873736027E-01
O          3.261376640        0.6153705943         2.186602897    
H          3.972880167        0.8579660521         2.778129975    
H          3.267567615         1.284075778         1.445014070    
O         -3.040002995         2.044468293         1.537269707    
H         -3.870335115         2.445789066         1.792123231    
H         -3.091638225         1.091512643         1.840578224    
O          2.837796053        -2.008459284         1.380757001    
H          2.994402743        -1.091611894         1.663386045    
H          2.868637921        -2.008082021        0.4094606789    
O         0.1570411847E-01   -0.2216890372E-01   -0.4050565398E-02
H        -0.7688924265        0.4809612366       -0.3299936996    
H        -0.2261440811       -0.9732776931       -0.4691340080E-01
O         0.6658849479        -2.958610166        -2.341779967    
H         0.2173270437        -2.294856175        -2.890399700    
H         0.1457063941        -2.987700940        -1.516695310    
O          3.180582863         2.316048818        0.2002731566    
H          2.405623282         2.905790733        0.2541573065    
H          2.953075840         1.691133180       -0.5127208836    
O         0.5567833642        0.6741539201         2.528558491    
H          1.525790496        0.6443126137         2.587536045    
H         0.3507376121        0.4078490459         1.605215094    
O         -3.056054612       -0.7441476703        -2.170024769    
H         -2.830784782        0.1109545162        -1.751523592    
H         -2.266260997       -0.9741469808        -2.684383680    
    63
Energy=    -106.840118382420    
O         0.8028804015         1.278188724        -3.582636306    
H          1.354164046        0.9945337360        -2.801677798    
H          1.415764488         1.538039409        -4.270630986    
O        -0.5599909350         3.088446728         2.165791879    
H         -1.470578285         2.824140572         1.951164790    
H        -0.1276185339         2.258687774         2.457556673    
O        -0.6139993470         3.220851497        -2.091541590    
H        -0.1169309597         2.635384312        -2.681987769    
H        -0.1703423445E-01     3.445252264        -1.352295559    
O         0.8817952284         3.817399877        0.1321819838    
H         0.3071765024         3.525390837        0.9013278305    
H         0.9944484885         4.761998681        0.2403513324    
O         -3.254096344       -0.4603130211         2.219984074    
H         -2.503759445       -0.7773489703         2.769033880    
H         -3.291126473        -1.050656279         1.451041862    
O         -2.054415288         1.374296955       -0.8817230303    
H         -1.638797514         2.134788332        -1.354930592    
H         -2.470196927         1.724781558       -0.7290123182E-01
O         -1.047255269        -1.283386972         3.526486449    
H        -0.4824954740       -0.5073704082         3.356908203    
H        -0.5526120962        -2.030879119         3.161549228    
O         0.6363828142        -3.151344570         2.262172586    
H          1.466033934        -2.683298497         1.977672275    
H         0.9154751983        -3.995491848         2.616009836    
O        -0.6712466391        -2.610437599       -0.2411297643E-01
H         -1.640478560        -2.582101944        0.7693359037E-01
H        -0.2920625779        -2.906358474        0.8251335486    
O          2.945200222        -2.091098355        -1.412105233    
H          2.090868521        -2.461849406        -1.774797718    
H          3.648103668        -2.641909841        -1.755510755    
O          2.122862817        0.4747010768        -1.486141659    
H          2.562719906       -0.3921902507        -1.532002275    
H          1.340176071        0.3225450669       -0.8933166820    
O        -0.7159407136       -0.9640879759        -3.717350161    
H        -0.9973649198        -1.047699015        -4.628971323    
H        -0.2382837113       -0.1105151566        -3.646485013    
O         -3.327233648        -2.177937716        0.2565499180E-02
H         -3.275826200        -1.638448715       -0.8355700579    
H         -4.089686303        -2.748818480       -0.8790952697E-01
O          3.260228378        0.6158502762         2.183586822    
H          3.970975781        0.8595115111         2.775553738    
H          3.266614285         1.284220039         1.441594946    
O         -3.039095188         2.042534866         1.537933822    
H         -3.868886051         2.445227721         1.792326462    
H         -3.092195647         1.089976152         1.842277035    
O          2.835940098        -2.008741338         1.380728421    
H          2.992847375        -1.091887653         1.663164650    
H          2.866798207        -2.009026239        0.4094000911    
O         0.1578867500E-01   -0.2427017264E-01   -0.6250640059E-02
H        -0.7697459297        0.4777270819       -0.3317544640    
H        -0.2248319152       -0.9757680515       -0.4735461749E-01
O         0.6642910958        -2.956308326        -2.342554603    
H         0.2154502263        -2.291476703        -2.889713600    
H         0.1450666097        -2.986451055        -1.517084900    
O          3.180017893         2.317734957        0.1991967945    
H          2.404282007         2.906671926        0.2541457326    
H          2.952185916         1.692362510       -0.5134685110    
O         0.5569554467        0.6750697108         2.525563599    
H          1.525756309        0.6452851867         2.583753469    
H         0.3507586407        0.4086848885         1.602109101    
O         -3.054046397       -0.7458262784        -2.171017613    
H         -2.829395529        0.1094827930        -1.752824953    
H         -2.264271091       -0.9757109868        -2.685068581    
    63
Energy=    -106.840126157520    
O         0.8053007877         1.280792490        -3.583347167    
H          1.355691945        0.9968383617        -2.801804512    
H          1.419120927         1.546232293        -4.268241182    
O        -0.5605672289         3.089231265         2.167087663    
H         -1.471361199         2.825015451         1.953200464    
H        -0.1279809041         2.259126288         2.457535227    
O        -0.6135492364         3.220074153        -2.092219710    
H        -0.1157657452         2.634218814        -2.681726684    
H        -0.1671958852E-01     3.446583964        -1.353653391    
O         0.8813961724         3.818033362        0.1327748119    
H         0.3065809588         3.525571031        0.9015722039    
H         0.9974429060         4.761860063        0.2441092555    
O         -3.255480597       -0.4619107710         2.221766050    
H         -2.504695478       -0.7780036146         2.770892511    
H         -3.290995594        -1.051528688         1.452214531    
O         -2.053727605         1.373227098       -0.8817912234    
H         -1.637953854         2.133795407        -1.354595576    
H         -2.469514634         1.723442596       -0.7276537588E-01
O         -1.046579407        -1.281475459         3.525592465    
H        -0.4821981032       -0.5056473059         3.354523597    
H        -0.5516891998        -2.029757290         3.162635607    
O         0.6353781935        -3.151879453         2.264836439    
H          1.464909269        -2.683896623         1.979967679    
H         0.9145405882        -3.995754860         2.619188428    
O        -0.6706094455        -2.613972074       -0.2283960231E-01
H         -1.639740136        -2.583745075        0.7828638843E-01
H        -0.2919307970        -2.908465690        0.8271704540    
O          2.944226481        -2.091381157        -1.411835270    
H          2.089235410        -2.461285918        -1.773908008    
H          3.645452956        -2.646643114        -1.751387220    
O          2.123130816        0.4749006349        -1.486688414    
H          2.563089043       -0.3919033340        -1.532605369    
H          1.339889052        0.3222053413       -0.8948037755    
O        -0.7152608453       -0.9612528440        -3.717642124    
H        -0.9957948501        -1.045724370        -4.629490929    
H        -0.2369242178       -0.1081790119        -3.647532887    
O         -3.326732446        -2.177465897        0.3490016265E-02
H         -3.275005796        -1.638811097       -0.8351359788    
H         -4.089954990        -2.747501327       -0.8638324370E-01
O          3.260036774        0.6162030614         2.180806504    
H          3.969958695        0.8607085591         2.773396494    
H          3.265794137         1.285163697         1.439253283    
O         -3.038161501         2.040235179         1.538340690    
H         -3.867976509         2.443538351         1.791666737    
H         -3.091882474         1.087780768         1.843227381    
O          2.834200054        -2.009101239         1.380632754    
H          2.992074399        -1.092294175         1.662566677    
H          2.863910033        -2.008980454        0.4092503112    
O         0.1549353849E-01   -0.2670746968E-01   -0.7780717822E-02
H        -0.7695909692        0.4766178632       -0.3323674783    
H        -0.2266976541       -0.9777799080       -0.4789445913E-01
O         0.6637322196        -2.955469691        -2.343183911    
H         0.2154533192        -2.289398728        -2.889204012    
H         0.1444965648        -2.986928056        -1.517868391    
O          3.179405510         2.317996119        0.1973814455    
H          2.404094234         2.907499276        0.2517388697    
H          2.950903047         1.691873100       -0.5145307604    
O         0.5575047961        0.6764217207         2.522416363    
H          1.526395420        0.6457628363         2.579130255    
H         0.3498123296        0.4087882982         1.599612524    
O         -3.053688029       -0.7474191147        -2.171230890    
H         -2.829878642        0.1082914986        -1.753546479    
H         -2.263531797       -0.9770075305        -2.684749857    
    63
Energy=    -106.840129681190    
O         0.8053888090         1.282158120        -3.583330260    
H          1.355356532        0.9969342918        -2.802018416    
H          1.419592237         1.547722073        -4.267870035    
O        -0.5610335618         3.089548344         2.168790929    
H         -1.471730945         2.825273497         1.954721963    
H        -0.1282200205         2.259262544         2.458383680    
O        -0.6124679905         3.220577722        -2.091856395    
H        -0.1150544937         2.634844363        -2.681930303    
H        -0.1553771356E-01     3.446691017        -1.353307844    
O         0.8815375989         3.818306378        0.1344196451    
H         0.3067352172         3.525221355        0.9029036157    
H         0.9968317943         4.762180820        0.2462756413    
O         -3.256005451       -0.4624346361         2.222383343    
H         -2.505036146       -0.7784694188         2.771238136    
H         -3.291013708        -1.051409883         1.452295128    
O         -2.053700914         1.373356983       -0.8826969588    
H         -1.636953151         2.133672760        -1.355140788    
H         -2.468478751         1.723481276       -0.7313210896E-01
O         -1.046063271        -1.280347130         3.526018760    
H        -0.4814875892       -0.5048432592         3.353494609    
H        -0.5519208915        -2.028900103         3.162561841    
O         0.6350090172        -3.152089001         2.266138633    
H          1.464082069        -2.683629132         1.980833656    
H         0.9148485668        -3.995446706         2.621254623    
O        -0.6705353399        -2.614809062       -0.2233929038E-01
H         -1.639656681        -2.584801317        0.7858842550E-01
H        -0.2919179156        -2.909207705        0.8277498861    
O          2.943905380        -2.091078382        -1.411298628    
H          2.088915831        -2.460707519        -1.773524742    
H          3.645088622        -2.647260144        -1.749517247    
O          2.122440615        0.4745239535        -1.487422546    
H          2.563172795       -0.3918432619        -1.533731895    
H          1.339683259        0.3213148737       -0.8949876076    
O        -0.7144768153       -0.9603370558        -3.717957597    
H        -0.9947763659        -1.044286816        -4.629900387    
H        -0.2364669740       -0.1070784083        -3.647387653    
O         -3.326185332        -2.177566642        0.4152021487E-02
H         -3.274620997        -1.639075269       -0.8345581087    
H         -4.089982143        -2.746872987       -0.8495315055E-01
O          3.260511361        0.6165960929         2.179899953    
H          3.969964386        0.8611949586         2.773013202    
H          3.266752863         1.285213158         1.438152122    
O         -3.037772686         2.039362007         1.538248218    
H         -3.868202460         2.442073746         1.790499383    
H         -3.091615456         1.086912588         1.843106493    
O          2.832885032        -2.009014035         1.380399669    
H          2.991730438        -1.092472517         1.662524248    
H          2.862312772        -2.008820972        0.4089857634    
O         0.1478338107E-01   -0.2743169002E-01   -0.8446510792E-02
H        -0.7703139846        0.4756258125       -0.3335247304    
H        -0.2268852835       -0.9786571891       -0.4869250513E-01
O         0.6633935670        -2.955956865        -2.342968457    
H         0.2156641049        -2.289684289        -2.889216226    
H         0.1437536528        -2.988065511        -1.517889407    
O          3.179645644         2.318400870        0.1953932048    
H          2.403997552         2.907400034        0.2506913581    
H          2.950686910         1.691915053       -0.5159674991    
O         0.5573453407        0.6758481937         2.520947797    
H          1.526232583        0.6462040364         2.577649194    
H         0.3495359983        0.4086526980         1.598016040    
O         -3.053564951       -0.7479409744        -2.171314432    
H         -2.829973492        0.1080115906        -1.754022458    
H         -2.263621351       -0.9771857253        -2.685317513    
    63
Energy=    -106.840131432730    
O         0.8054430696         1.282693336        -3.583416350    
H          1.355534017        0.9971990377        -2.802155526    
H          1.419697523         1.548258740        -4.267956787    
O        -0.5611892371         3.089555190         2.169505274    
H         -1.471792145         2.825232865         1.955071907    
H        -0.1283377795         2.259170280         2.458650689    
O        -0.6122127779         3.221095806        -2.091626579    
H        -0.1145975387         2.635444846        -2.681524689    
H        -0.1538385514E-01     3.446683351        -1.352738424    
O         0.8813074306         3.818387036        0.1349575011    
H         0.3066143706         3.525257479        0.9034753718    
H         0.9964554120         4.762274295        0.2468196210    
O         -3.256134178       -0.4627465400         2.222721871    
H         -2.504855562       -0.7784868581         2.771472172    
H         -3.290908560        -1.051734241         1.452610173    
O         -2.053505912         1.373400159       -0.8829419396    
H         -1.636889390         2.133779111        -1.355364566    
H         -2.468246780         1.723557501       -0.7329090937E-01
O         -1.046297059        -1.279838923         3.525634023    
H        -0.4814479256       -0.5045088238         3.353601068    
H        -0.5520934915        -2.028693787         3.162956488    
O         0.6347296393        -3.152176706         2.266619984    
H          1.463727384        -2.683684599         1.981031369    
H         0.9150645350        -3.995143827         2.622260209    
O        -0.6706661295        -2.615487087       -0.2234963117E-01
H         -1.639755808        -2.585303387        0.7894698785E-01
H        -0.2919702272        -2.909535762        0.8278117825    
O          2.943564741        -2.091353445        -1.410854349    
H          2.088764665        -2.460998534        -1.773672898    
H          3.644935441        -2.647469829        -1.748714997    
O          2.122172384        0.4742898533        -1.487653705    
H          2.563164768       -0.3919194083        -1.534032983    
H          1.339483720        0.3208102851       -0.8953871655    
O        -0.7138553829       -0.9599851583        -3.718107588    
H        -0.9941849868        -1.043445414        -4.630115986    
H        -0.2363180116       -0.1065445984        -3.647034522    
O         -3.325976323        -2.177607768        0.4400036456E-02
H         -3.274335722        -1.639317955       -0.8343266221    
H         -4.090041744        -2.746677567       -0.8430253883E-01
O          3.260754848        0.6167062780         2.179369658    
H          3.969932146        0.8614948114         2.772763770    
H          3.267218841         1.285342725         1.437566702    
O         -3.037661805         2.039111189         1.538122504    
H         -3.868385145         2.441594682         1.789855871    
H         -3.091272014         1.086615761         1.843133176    
O          2.832359114        -2.008911685         1.380471735    
H          2.991423212        -1.092358376         1.662386368    
H          2.861722976        -2.008734416        0.4090698987    
O         0.1455524948E-01   -0.2780743244E-01   -0.8944501681E-02
H        -0.7706138978        0.4749639010       -0.3343066072    
H        -0.2267878974       -0.9790620049       -0.4892304554E-01
O         0.6633208316        -2.955992587        -2.342944621    
H         0.2154008664        -2.289724636        -2.888952119    
H         0.1435814445        -2.988190120        -1.518007594    
O          3.179863235         2.318371895        0.1947892968    
H          2.404095227         2.907242641        0.2502917884    
H          2.950840500         1.692024244       -0.5167263739    
O         0.5574353392        0.6761031891         2.520285879    
H          1.526281727        0.6462252202         2.577006287    
H         0.3496398380        0.4086225747         1.597389523    
O         -3.053440291       -0.7480486900        -2.171506381    
H         -2.829922136        0.1078493332        -1.754065086    
H         -2.263493679       -0.9771098491        -2.685594420    
    63
Energy=    -106.840131878160    
O         0.8056409948         1.283554166        -3.583386512    
H          1.355616890        0.9976027468        -2.802270983    
H          1.419913149         1.549591866        -4.267739598    
O        -0.5613530781         3.089518872         2.170290664    
H         -1.471891594         2.825188184         1.955640501    
H        -0.1284714018         2.259019914         2.459064706    
O        -0.6117059308         3.221574302        -2.091379717    
H        -0.1141522349         2.636030885        -2.681395379    
H        -0.1506439657E-01     3.446596752        -1.352262515    
O         0.8810544409         3.818395818        0.1356469393    
H         0.3064530083         3.525203448        0.9042798466    
H         0.9958702384         4.762340484        0.2474771060    
O         -3.256247961       -0.4630310507         2.223048681    
H         -2.504757308       -0.7785092077         2.771732019    
H         -3.290791603        -1.052125158         1.452984805    
O         -2.053265748         1.373588876       -0.8833173047    
H         -1.636696699         2.133954376        -1.355682662    
H         -2.467822233         1.723660360       -0.7356134249E-01
O         -1.046382928        -1.279234022         3.525436448    
H        -0.4813992261       -0.5041077539         3.353519975    
H        -0.5523316802        -2.028389524         3.163320188    
O         0.6344713368        -3.152296068         2.267241744    
H          1.463181052        -2.683657669         1.981337399    
H         0.9152347799        -3.994751951         2.623685518    
O        -0.6707048623        -2.616272017       -0.2226274118E-01
H         -1.639756740        -2.585923671        0.7924951709E-01
H        -0.2919393035        -2.909986809        0.8279279730    
O          2.943138400        -2.091616898        -1.410551717    
H          2.088598075        -2.461423195        -1.773664794    
H          3.644767792        -2.647794438        -1.747684017    
O          2.122043653        0.4740468284        -1.487941992    
H          2.563088957       -0.3921470450        -1.534416161    
H          1.339125450        0.3201466536       -0.8957456633    
O        -0.7133370778       -0.9594192143        -3.718164548    
H        -0.9935061391        -1.042430934        -4.630260339    
H        -0.2360599479       -0.1058793809        -3.646624317    
O         -3.325727876        -2.177678096        0.4772163462E-02
H         -3.274114501        -1.639583413       -0.8340977593    
H         -4.090131713        -2.746379212       -0.8344153102E-01
O          3.261103585        0.6169914497         2.178671893    
H          3.969926714        0.8618997059         2.772394358    
H          3.267813295         1.285460393         1.436852733    
O         -3.037500774         2.038603671         1.537886934    
H         -3.868551427         2.440822865         1.788936246    
H         -3.090939193         1.086237983         1.843119185    
O          2.831644596        -2.008795795         1.380654038    
H          2.991034562        -1.092101905         1.662308566    
H          2.860904909        -2.008698009        0.4091007695    
O         0.1428686532E-01   -0.2837649996E-01   -0.9698370886E-02
H        -0.7709643349        0.4742101644       -0.3352024612    
H        -0.2268499793       -0.9796856498       -0.4921883322E-01
O         0.6632111242        -2.956169490        -2.343011915    
H         0.2151598118        -2.289718554        -2.888840597    
H         0.1433468590        -2.988562434        -1.517986355    
O          3.180027714         2.318363265        0.1939006631    
H          2.404255751         2.907085722        0.2498010814    
H          2.950935237         1.692093144       -0.5176619711    
O         0.5576048168        0.6763346533         2.519409420    
H          1.526404136        0.6462536643         2.576170288    
H         0.3497189697        0.4085938238         1.596671317    
O         -3.053293617       -0.7482496248        -2.171516495    
H         -2.829948684        0.1077678349        -1.754148403    
H         -2.263405869       -0.9769805806        -2.685887210    
    63
Energy=    -106.840133323800    
O         0.8059711124         1.284576269        -3.583208556    
H          1.355953815        0.9983380546        -2.802321728    
H          1.419984480         1.552035816        -4.267162001    
O        -0.5614943171         3.089254000         2.170683899    
H         -1.471990126         2.824868090         1.955830889    
H        -0.1284274712         2.258658493         2.459296859    
O        -0.6113557514         3.221871684        -2.091097709    
H        -0.1137376229         2.636498855        -2.681377946    
H        -0.1505713054E-01     3.446573269        -1.351474638    
O         0.8807425913         3.817966976        0.1363413565    
H         0.3060868662         3.525123702        0.9049971866    
H         0.9947502902         4.762130432        0.2470395501    
O         -3.255974597       -0.4629819204         2.222963562    
H         -2.504733427       -0.7780571862         2.771911030    
H         -3.290687670        -1.052714616         1.453485716    
O         -2.053282962         1.374029769       -0.8839617369    
H         -1.636522509         2.134615015        -1.356008431    
H         -2.467454785         1.723771180       -0.7388441406E-01
O         -1.046377245        -1.279117778         3.526229924    
H        -0.4815769678       -0.5038798461         3.353350771    
H        -0.5524947627        -2.028208445         3.163478591    
O         0.6341565217        -3.152270251         2.267629407    
H          1.462747097        -2.683385930         1.981439919    
H         0.9151380689        -3.994159502         2.625395447    
O        -0.6705826853        -2.616950644       -0.2208735508E-01
H         -1.639603252        -2.586410560        0.7918796223E-01
H        -0.2917506593        -2.910762904        0.8279961390    
O          2.942748379        -2.092181091        -1.410533877    
H          2.088424589        -2.462546519        -1.773583597    
H          3.644911201        -2.648094475        -1.747139927    
O          2.122216393        0.4735402895        -1.488041882    
H          2.562768668       -0.3928999606        -1.534336971    
H          1.338946476        0.3199451770       -0.8965160083    
O        -0.7135421662       -0.9586568341        -3.717731474    
H        -0.9929173639        -1.041646364        -4.630049705    
H        -0.2356320396       -0.1055014252        -3.646065581    
O         -3.325708286        -2.177765686        0.4986825485E-02
H         -3.274203437        -1.639866665       -0.8340619949    
H         -4.090346814        -2.746125196       -0.8283239374E-01
O          3.261433308        0.6173317098         2.178151513    
H          3.970178570        0.8624702055         2.771930459    
H          3.268187820         1.285632577         1.436007014    
O         -3.037262897         2.038209543         1.537336239    
H         -3.868718728         2.440077074         1.787575175    
H         -3.090810923         1.085878993         1.842895814    
O          2.831039290        -2.008238458         1.380971131    
H          2.990510364        -1.091562151         1.662282311    
H          2.860301124        -2.008861574        0.4095630918    
O         0.1417787637E-01   -0.2928440218E-01   -0.1044190408E-01
H        -0.7708371935        0.4736527806       -0.3358896158    
H        -0.2273765120       -0.9805343424       -0.4958801222E-01
O         0.6626675693        -2.956504213        -2.343412840    
H         0.2149317945        -2.289603302        -2.888959420    
H         0.1435612130        -2.988940634        -1.517934927    
O          3.180264612         2.318360296        0.1930594527    
H          2.404484496         2.906950650        0.2496309496    
H          2.950932908         1.691991202       -0.5182300444    
O         0.5581265785        0.6760309866         2.519086996    
H          1.527147918        0.6462924106         2.575378743    
H         0.3499094618        0.4087610495         1.596169169    
O         -3.053013104       -0.7482908604        -2.170985090    
H         -2.830027001        0.1079027406        -1.754031637    
H         -2.263389947       -0.9765779543        -2.685822194    
    63
Energy=    -106.840133663440    
O         0.8060901724         1.285120416        -3.583157282    
H          1.356256820        0.9987602716        -2.802426245    
H          1.419998229         1.552623135        -4.267184386    
O        -0.5616676825         3.089123195         2.171186402    
H         -1.472063727         2.824710126         1.956022328    
H        -0.1284796213         2.258580204         2.459415762    
O        -0.6112610116         3.222355284        -2.090791037    
H        -0.1134619227         2.637133019        -2.681028047    
H        -0.1519030159E-01     3.446710007        -1.350942701    
O         0.8806404437         3.817785605        0.1367427381    
H         0.3059142514         3.525084350        0.9054867461    
H         0.9942768534         4.762041297        0.2470665341    
O         -3.256003959       -0.4630457541         2.223080951    
H         -2.504621875       -0.7778910243         2.772159514    
H         -3.290628649        -1.052997328         1.453688499    
O         -2.053261311         1.374161819       -0.8843104324    
H         -1.636477232         2.134839878        -1.356122494    
H         -2.467293417         1.723707644       -0.7405075193E-01
O         -1.046323675        -1.278898290         3.526521697    
H        -0.4816157991       -0.5037360543         3.353284258    
H        -0.5525742620        -2.028023088         3.163670002    
O         0.6339554797        -3.152234496         2.267921956    
H          1.462456161        -2.683335480         1.981649945    
H         0.9151272532        -3.993746210         2.626341753    
O        -0.6705511745        -2.617470316       -0.2204258217E-01
H         -1.639610119        -2.586815431        0.7933051267E-01
H        -0.2917940052        -2.911284940        0.8281427777    
O          2.942513530        -2.092591587        -1.410264787    
H          2.088329942        -2.462970280        -1.773672341    
H          3.644839194        -2.648375091        -1.746704664    
O          2.122227528        0.4732787752        -1.488322074    
H          2.562698147       -0.3932374335        -1.534367183    
H          1.338787445        0.3197950077       -0.8968980388    
O        -0.7133292033       -0.9582090702        -3.717629138    
H        -0.9924143733        -1.041012778        -4.630066200    
H        -0.2353974286       -0.1051085187        -3.645667138    
O         -3.325643392        -2.177805966        0.5119517799E-02
H         -3.274058867        -1.640022812       -0.8339816988    
H         -4.090480650        -2.745964847       -0.8249697831E-01
O          3.261638104        0.6175497210         2.177723110    
H          3.970217498        0.8628163679         2.771603384    
H          3.268429129         1.285672080         1.435515875    
O         -3.037139527         2.038002665         1.537206571    
H         -3.868852026         2.439738932         1.786795684    
H         -3.090663479         1.085687576         1.842723902    
O          2.830626982        -2.008041375         1.381127249    
H          2.990217256        -1.091312859         1.662198814    
H          2.859894813        -2.008833461        0.4097100981    
O         0.1402504121E-01   -0.2969111619E-01   -0.1071367010E-01
H        -0.7708572724        0.4732331916       -0.3363809854    
H        -0.2275657550       -0.9809752483       -0.4988324761E-01
O         0.6624559147        -2.956630969        -2.343586298    
H         0.2147336411        -2.289551899        -2.888831807    
H         0.1435570319        -2.989029798        -1.518078811    
O          3.180525937         2.318423263        0.1925304813    
H          2.404592659         2.906844788        0.2494121084    
H          2.950940246         1.691913166       -0.5186521064    
O         0.5584241725        0.6758046727         2.518615304    
H          1.527359056        0.6463763170         2.574751393    
H         0.3500604457        0.4088089237         1.595830234    
O         -3.052884751       -0.7484161299        -2.170951193    
H         -2.829917487        0.1078662421        -1.753987206    
H         -2.263214319       -0.9765306858        -2.685875097    
    63
Energy=    -106.840135166310    
O         0.8065331830         1.287523184        -3.582718467    
H          1.357191347         1.000122530        -2.802786265    
H          1.419966089         1.554420716        -4.267446083    
O        -0.5620568279         3.087931607         2.172610705    
H         -1.472270969         2.823460822         1.956707328    
H        -0.1287163441         2.257107552         2.459880122    
O        -0.6112495008         3.224414594        -2.089030231    
H        -0.1132688073         2.639857936        -2.679699296    
H        -0.1536582952E-01     3.447555764        -1.348588054    
O         0.8804915358         3.816818943        0.1383126389    
H         0.3061845436         3.524259085        0.9074521297    
H         0.9927505696         4.761403442        0.2471656692    
O         -3.255419101       -0.4630895580         2.223348641    
H         -2.504275017       -0.7777630361         2.772911595    
H         -3.289635263        -1.053131887         1.454012354    
O         -2.052885220         1.374085833       -0.8852590670    
H         -1.636165222         2.135278637        -1.356261551    
H         -2.467110171         1.722952630       -0.7474879616E-01
O         -1.045764164        -1.277862697         3.527560126    
H        -0.4804816699       -0.5032892755         3.353628731    
H        -0.5528000630        -2.027489684         3.164614253    
O         0.6329051270        -3.151474791         2.269346243    
H          1.461313499        -2.682470064         1.983040495    
H         0.9144463736        -3.991780453         2.630282840    
O        -0.6706013305        -2.619075051       -0.2226817455E-01
H         -1.639637991        -2.588560208        0.7908087097E-01
H        -0.2920970133        -2.912644231        0.8280543550    
O          2.942243479        -2.094292570        -1.409959299    
H          2.087966371        -2.464134981        -1.773583190    
H          3.644204070        -2.650275259        -1.746829462    
O          2.122514493        0.4721578331        -1.488648956    
H          2.562652795       -0.3945199845        -1.534655051    
H          1.338924160        0.3189401986       -0.8974030492    
O        -0.7122358720       -0.9565801730        -3.716563774    
H        -0.9912144725        -1.040180784        -4.628989379    
H        -0.2351930662       -0.1029749207        -3.645006196    
O         -3.325755153        -2.178244128        0.5350955365E-02
H         -3.273605601        -1.639983711       -0.8334095354    
H         -4.091277082        -2.745421140       -0.8279512838E-01
O          3.262364306        0.6188311291         2.176343984    
H          3.971029707        0.8646553767         2.769894233    
H          3.268953315         1.286637777         1.433782147    
O         -3.037133840         2.037472885         1.535247101    
H         -3.869272143         2.439458538         1.783014857    
H         -3.090803716         1.085413589         1.841663492    
O          2.829380424        -2.007222396         1.381851036    
H          2.989614486        -1.090400254         1.662195006    
H          2.858970476        -2.008877967        0.4104707981    
O         0.1361932508E-01   -0.3043596676E-01   -0.1183017784E-01
H        -0.7711566690        0.4728225055       -0.3373447420    
H        -0.2280513115       -0.9816176763       -0.5099687195E-01
O         0.6619691374        -2.957170889        -2.344382968    
H         0.2146352944        -2.289146400        -2.888793968    
H         0.1428681302        -2.990341986        -1.519048991    
O          3.180687773         2.318657492        0.1907841545    
H          2.404780862         2.906994085        0.2486202122    
H          2.950092352         1.691582322       -0.5196217415    
O         0.5590628753        0.6748810548         2.516952829    
H          1.528043285        0.6464517268         2.572767014    
H         0.3506044748        0.4071385767         1.594360590    
O         -3.052572616       -0.7487297376        -2.170434732    
H         -2.829696767        0.1077752676        -1.753848215    
H         -2.262683945       -0.9771241718        -2.684846613    
    63
Energy=    -106.840135349240    
O         0.8065519077         1.288215653        -3.582459369    
H          1.357132897         1.000383970        -2.802645159    
H          1.420082876         1.554462514        -4.267404511    
O        -0.5618932720         3.087302742         2.172771929    
H         -1.472136394         2.823191902         1.956703338    
H        -0.1288166949         2.256305429         2.459817277    
O        -0.6115485696         3.224906741        -2.088704159    
H        -0.1133886211         2.640664245        -2.679476134    
H        -0.1576389621E-01     3.447921408        -1.348127474    
O         0.8803100146         3.816694783        0.1386108626    
H         0.3061553501         3.523841661        0.9077930741    
H         0.9926142833         4.761262933        0.2479403069    
O         -3.255131431       -0.4630950890         2.223333570    
H         -2.503851075       -0.7773975951         2.772808968    
H         -3.289304583        -1.053148785         1.454062618    
O         -2.052679431         1.373976641       -0.8854533713    
H         -1.636071336         2.135362403        -1.356322331    
H         -2.467109625         1.722687883       -0.7500000983E-01
O         -1.045718166        -1.277565604         3.528046940    
H        -0.4803850540       -0.5030851814         3.353771863    
H        -0.5529947937        -2.027304695         3.164945398    
O         0.6325094667        -3.151282206         2.269604728    
H          1.460887014        -2.682177582         1.983421818    
H         0.9142491605        -3.991163388         2.631395312    
O        -0.6707850501        -2.619298996       -0.2252574152E-01
H         -1.639779063        -2.588947657        0.7896150659E-01
H        -0.2922116019        -2.912377705        0.8278680794    
O          2.942145539        -2.094678015        -1.410006822    
H          2.087768072        -2.464299941        -1.773552416    
H          3.643775465        -2.650949050        -1.747058243    
O          2.122604718        0.4718318618        -1.488726435    
H          2.562986384       -0.3947296324        -1.534722672    
H          1.339000772        0.3183896672       -0.8976300988    
O        -0.7119425241       -0.9560852679        -3.716020748    
H        -0.9909459813        -1.039905112        -4.628448440    
H        -0.2351175935       -0.1023649162        -3.644603124    
O         -3.325818382        -2.178332835        0.5397964654E-02
H         -3.273499420        -1.639934349       -0.8333046888    
H         -4.091416496        -2.745348838       -0.8300192825E-01
O          3.262590683        0.6192367934         2.176127157    
H          3.971387997        0.8651090526         2.769497208    
H          3.269062583         1.286934727         1.433519235    
O         -3.037183791         2.037478519         1.535048178    
H         -3.869625975         2.439414567         1.781946182    
H         -3.091057244         1.085419949         1.841529560    
O          2.829162567        -2.007040644         1.382018903    
H          2.989764699        -1.090186631         1.662143320    
H          2.858971792        -2.008921818        0.4106066764    
O         0.1354940520E-01   -0.3082723697E-01   -0.1191810449E-01
H        -0.7710490194        0.4725703374       -0.3375647388    
H        -0.2282813383       -0.9819359366       -0.5130480632E-01
O         0.6618866529        -2.957336013        -2.344646231    
H         0.2149464697        -2.288791009        -2.888679825    
H         0.1426539834        -2.990718240        -1.519445045    
O          3.180711913         2.318762811        0.1901818876    
H          2.404716857         2.906987685        0.2481528148    
H          2.950010069         1.691560958       -0.5200955034    
O         0.5593087828        0.6745844476         2.516772022    
H          1.528295152        0.6463517734         2.572317518    
H         0.3506767926        0.4068587469         1.594247678    
O         -3.052390676       -0.7489480280        -2.170403772    
H         -2.829661123        0.1076739666        -1.754016364    
H         -2.262400992       -0.9774111752        -2.684586147    
    63
Energy=    -106.840136059970    
O         0.8066052246         1.288651336        -3.582184622    
H          1.357026309         1.000753323        -2.802308901    
H          1.420298695         1.555735809        -4.266578281    
O        -0.5618622046         3.086374104         2.172453581    
H         -1.472215603         2.822463313         1.956513432    
H        -0.1287058933         2.255331300         2.459445030    
O        -0.6116309434         3.225063613        -2.088580343    
H        -0.1131430551         2.640725233        -2.679047526    
H        -0.1618787660E-01     3.448426547        -1.347829184    
O         0.8801512599         3.817199616        0.1389498170    
H         0.3059837992         3.523446921        0.9077990077    
H         0.9927628265         4.761506161        0.2497171867    
O         -3.254527863       -0.4626293336         2.222908327    
H         -2.503433723       -0.7769878831         2.772765751    
H         -3.289076345        -1.053322614         1.454094374    
O         -2.052552686         1.373683452       -0.8854774346    
H         -1.636022310         2.134994541        -1.356474629    
H         -2.466947701         1.722534237       -0.7500933842E-01
O         -1.045914089        -1.277228285         3.528833088    
H        -0.4804478018       -0.5028753314         3.354454004    
H        -0.5534745281        -2.026984201         3.165382207    
O         0.6321222251        -3.150587608         2.269553114    
H          1.460574703        -2.681683045         1.983326268    
H         0.9136739506        -3.990038538         2.632452231    
O        -0.6710102572        -2.619574889       -0.2270516579E-01
H         -1.640056830        -2.588856073        0.7858868933E-01
H        -0.2925547831        -2.912537926        0.8278323578    
O          2.942037634        -2.095411747        -1.409728526    
H          2.087465388        -2.464453764        -1.773533166    
H          3.643500139        -2.651515835        -1.747462755    
O          2.122667119        0.4713751284        -1.489043643    
H          2.563368890       -0.3951028140        -1.535125851    
H          1.339219352        0.3176437523       -0.8977697104    
O        -0.7116955359       -0.9557405015        -3.715348638    
H        -0.9909018189        -1.039909703        -4.627663512    
H        -0.2350460576       -0.1018525544        -3.644293266    
O         -3.326030664        -2.178428767        0.5395380396E-02
H         -3.273779507        -1.640053871       -0.8333032146    
H         -4.091503247        -2.745651094       -0.8292987311E-01
O          3.263094944        0.6196684311         2.175745565    
H          3.971887899        0.8656634011         2.769070434    
H          3.269282043         1.287394800         1.433148163    
O         -3.037525046         2.037772118         1.534608411    
H         -3.870337779         2.439261862         1.780908574    
H         -3.090953153         1.085777523         1.841228528    
O          2.829156043        -2.006816933         1.382093097    
H          2.989967764        -1.089964205         1.661988997    
H          2.859090857        -2.009034956        0.4107229790    
O         0.1376039159E-01   -0.3124110322E-01   -0.1229163387E-01
H        -0.7708108178        0.4723499535       -0.3377770986    
H        -0.2283326316       -0.9823237804       -0.5155399846E-01
O         0.6619217108        -2.957280553        -2.344764440    
H         0.2152271426        -2.288379083        -2.888657169    
H         0.1424578199        -2.991206931        -1.519714546    
O          3.180290476         2.318920816        0.1896700189    
H          2.404225585         2.907085317        0.2473359393    
H          2.949985989         1.691583654       -0.5206250741    
O         0.5597567273        0.6738300061         2.516690410    
H          1.528773279        0.6460381699         2.572305927    
H         0.3511722761        0.4060641325         1.594126335    
O         -3.052409888       -0.7490276767        -2.170470257    
H         -2.829750082        0.1076179845        -1.754049545    
H         -2.262156638       -0.9774773566        -2.684296401    
    63
Energy=    -106.840136440070    
O         0.8065642054         1.288702034        -3.581893655    
H          1.357135721         1.000462982        -2.802207150    
H          1.420114624         1.555725499        -4.266454112    
O        -0.5619345785         3.085780357         2.172528646    
H         -1.472327890         2.822037305         1.956593430    
H        -0.1288120757         2.254656247         2.459321408    
O        -0.6117784173         3.225172569        -2.088396607    
H        -0.1130695295         2.641031811        -2.678895088    
H        -0.1631799260E-01     3.449174265        -1.347905540    
O         0.8800676419         3.817578743        0.1392711133    
H         0.3057929344         3.523461567        0.9078836743    
H         0.9934269104         4.761697997        0.2509564600    
O         -3.254496957       -0.4624797511         2.222866685    
H         -2.503409949       -0.7768331709         2.772728499    
H         -3.288809049        -1.052964822         1.453893833    
O         -2.052322694         1.373546069       -0.8854514166    
H         -1.635921452         2.134951967        -1.356410653    
H         -2.466906005         1.722420584       -0.7509304984E-01
O         -1.046150825        -1.277041824         3.529241753    
H        -0.4805899162       -0.5027472882         3.355041625    
H        -0.5538007930        -2.026765526         3.165584051    
O         0.6319110615        -3.149883454         2.269531994    
H          1.460402797        -2.681130276         1.983121960    
H         0.9133948909        -3.989253303         2.632665878    
O        -0.6713149380        -2.619808526       -0.2290064906E-01
H         -1.640349443        -2.588752007        0.7847532611E-01
H        -0.2928358831        -2.912605481        0.8276779634    
O          2.942168209        -2.095397226        -1.409900885    
H          2.087592231        -2.464698904        -1.773444045    
H          3.643733119        -2.651571879        -1.747285075    
O          2.122834693        0.4711079489        -1.489070490    
H          2.563233842       -0.3954215632        -1.535311281    
H          1.339321723        0.3175615111       -0.8977995229    
O        -0.7116625912       -0.9557365841        -3.715164212    
H        -0.9908078883        -1.039630715        -4.627487060    
H        -0.2349140864       -0.1019207494        -3.643818188    
O         -3.326126766        -2.178410896        0.5302723962E-02
H         -3.274010298        -1.640208487       -0.8335214984    
H         -4.091449828        -2.745834505       -0.8286847797E-01
O          3.263417623        0.6198210355         2.175396550    
H          3.972122030        0.8661016465         2.768710274    
H          3.269390643         1.287514390         1.432749758    
O         -3.037779678         2.037988491         1.534370754    
H         -3.870771909         2.439239847         1.780454813    
H         -3.091059989         1.085969884         1.840928495    
O          2.829201597        -2.006741172         1.381959675    
H          2.990083087        -1.089900279         1.661807231    
H          2.859219997        -2.009055509        0.4105860995    
O         0.1394141241E-01   -0.3157034474E-01   -0.1228623094E-01
H        -0.7706443199        0.4720334110       -0.3377277868    
H        -0.2280558889       -0.9826710549       -0.5169177092E-01
O         0.6618839418        -2.957305735        -2.344725209    
H         0.2151175619        -2.288415317        -2.888568256    
H         0.1425062905        -2.991163640        -1.519609144    
O          3.180134502         2.319091524        0.1892914707    
H          2.403982392         2.907163289        0.2471046577    
H          2.949765129         1.691614529       -0.5208098243    
O         0.5601420681        0.6733565887         2.516618743    
H          1.529166025        0.6456980419         2.572254758    
H         0.3516152179        0.4053921560         1.594120945    
O         -3.052477226       -0.7491705530        -2.170547743    
H         -2.829782555        0.1073796055        -1.753950925    
H         -2.262181606       -0.9775857551        -2.684336222    
    63
Energy=    -106.840136473330    
O         0.8066310946         1.288772102        -3.581716993    
H          1.357249392         1.000476087        -2.802097401    
H          1.420101033         1.555920351        -4.266285220    
O        -0.5618979282         3.085635046         2.172435436    
H         -1.472311318         2.821946378         1.956567164    
H        -0.1288375962         2.254458647         2.459178825    
O        -0.6119016621         3.225281439        -2.088547784    
H        -0.1132581735         2.640992689        -2.678971790    
H        -0.1642704249E-01     3.449290876        -1.348090942    
O         0.8799907272         3.817631078        0.1391607356    
H         0.3057361300         3.523520746        0.9077712527    
H         0.9936657501         4.761693653        0.2510867310    
O         -3.254517368       -0.4624160388         2.222824676    
H         -2.503496564       -0.7768104137         2.772741066    
H         -3.288764930        -1.052858403         1.453822740    
O         -2.052255301         1.373501178       -0.8853958879    
H         -1.635835168         2.134888322        -1.356379653    
H         -2.466914531         1.722397886       -0.7509741699E-01
O         -1.046246728        -1.277021671         3.529331844    
H        -0.4806588991       -0.5027047812         3.355215121    
H        -0.5538812096        -2.026677467         3.165601952    
O         0.6318505051        -3.149708216         2.269470683    
H          1.460329635        -2.680915406         1.983089577    
H         0.9133790850        -3.989065956         2.632629049    
O        -0.6713961270        -2.619823509       -0.2297529023E-01
H         -1.640431491        -2.588811768        0.7842979756E-01
H        -0.2929001968        -2.912560284        0.8276064572    
O          2.942228642        -2.095471819        -1.409909583    
H          2.087713243        -2.464855604        -1.773497492    
H          3.643845748        -2.651625026        -1.747208035    
O          2.122923250        0.4710379690        -1.488970966    
H          2.563214349       -0.3955318215        -1.535270600    
H          1.339413895        0.3174882729       -0.8977050931    
O        -0.7116673138       -0.9556500353        -3.715152925    
H        -0.9907858759        -1.039390071        -4.627480163    
H        -0.2348670000       -0.1018652554        -3.643693811    
O         -3.326169764        -2.178390450        0.5312899613E-02
H         -3.274102905        -1.640258546       -0.8335616810    
H         -4.091420707        -2.745914034       -0.8284714225E-01
O          3.263521495        0.6198079801         2.175297845    
H          3.972193357        0.8662046464         2.768595235    
H          3.269391207         1.287528955         1.432672525    
O         -3.037893046         2.037954902         1.534303604    
H         -3.870840605         2.439228163         1.780446965    
H         -3.091222591         1.085967358         1.840960977    
O          2.829218804        -2.006749198         1.381880268    
H          2.990167801        -1.089901655         1.661725585    
H          2.859285830        -2.009073075        0.4105263684    
O         0.1404850488E-01   -0.3168196676E-01   -0.1223138016E-01
H        -0.7705353713        0.4719288752       -0.3376213283    
H        -0.2280059554       -0.9827797348       -0.5171516738E-01
O         0.6618956441        -2.957328221        -2.344644696    
H         0.2151232015        -2.288468368        -2.888534403    
H         0.1425101391        -2.991135164        -1.519541370    
O          3.180065249         2.319134166        0.1892497751    
H          2.403894125         2.907150615        0.2470530846    
H          2.949734745         1.691611516       -0.5208366486    
O         0.5602537974        0.6732091552         2.516704630    
H          1.529285383        0.6456046569         2.572260356    
H         0.3517158011        0.4052419809         1.594224010    
O         -3.052543661       -0.7491398562        -2.170499469    
H         -2.829811759        0.1073815954        -1.753859060    
H         -2.262267674       -0.9775458698        -2.684328362    
    63
Energy=    -106.840136503450    
O         0.8066260297         1.288826576        -3.581681619    
H          1.357241411         1.000523198        -2.802061051    
H          1.420105662         1.555907723        -4.266290401    
O        -0.5619111499         3.085578267         2.172447311    
H         -1.472331697         2.821894153         1.956566049    
H        -0.1288299350         2.254402334         2.459159311    
O        -0.6119302970         3.225324447        -2.088531047    
H        -0.1132778058         2.641047488        -2.678944186    
H        -0.1643766038E-01     3.449316685        -1.348056475    
O         0.8799908159         3.817661434        0.1391870807    
H         0.3057410438         3.523498660        0.9077939663    
H         0.9936792085         4.761708543        0.2511642840    
O         -3.254503783       -0.4623950178         2.222805766    
H         -2.503495613       -0.7767941992         2.772748592    
H         -3.288752473        -1.052867382         1.453824278    
O         -2.052225386         1.373477095       -0.8853886384    
H         -1.635827126         2.134871700        -1.356385692    
H         -2.466907825         1.722378716       -0.7510199312E-01
O         -1.046258859        -1.276989242         3.529380839    
H        -0.4806690858       -0.5026955887         3.355257467    
H        -0.5539129259        -2.026663136         3.165624124    
O         0.6318307752        -3.149649856         2.269474613    
H          1.460301433        -2.680870196         1.983072516    
H         0.9133480701        -3.988988508         2.632680531    
O        -0.6714129814        -2.619855486       -0.2297064214E-01
H         -1.640456431        -2.588824097        0.7840523007E-01
H        -0.2929177745        -2.912590924        0.8276220295    
O          2.942237342        -2.095516684        -1.409908698    
H          2.087706864        -2.464884840        -1.773485836    
H          3.643860180        -2.651668061        -1.747214331    
O          2.122946895        0.4710189282        -1.488963711    
H          2.563242807       -0.3955724769        -1.535275018    
H          1.339422916        0.3174467607       -0.8977214316    
O        -0.7116288748       -0.9556269060        -3.715140591    
H        -0.9907719754        -1.039357785        -4.627467122    
H        -0.2348717622       -0.1018308676        -3.643656296    
O         -3.326185658        -2.178390870        0.5317207679E-02
H         -3.274124055        -1.640265699       -0.8335584163    
H         -4.091427720        -2.745926381       -0.8284557013E-01
O          3.263554490        0.6198350486         2.175263990    
H          3.972225206        0.8662431342         2.768561508    
H          3.269406189         1.287544083         1.432628050    
O         -3.037911895         2.037965990         1.534273387    
H         -3.870884118         2.439234043         1.780384397    
H         -3.091228912         1.085983994         1.840945749    
O          2.829212320        -2.006728523         1.381892964    
H          2.990183029        -1.089882182         1.661706774    
H          2.859276145        -2.009079104        0.4105255427    
O         0.1405993602E-01   -0.3171249463E-01   -0.1223393052E-01
H        -0.7705192093        0.4719176047       -0.3376387682    
H        -0.2280041729       -0.9827970686       -0.5174114824E-01
O         0.6618837047        -2.957341955        -2.344667750    
H         0.2151337906        -2.288461736        -2.888532070    
H         0.1425276388        -2.991151225        -1.519542029    
O          3.180053200         2.319132867        0.1892015853    
H          2.403862860         2.907152159        0.2470121059    
H          2.949723646         1.691625502       -0.5208685696    
O         0.5602953696        0.6731842625         2.516680853    
H          1.529316850        0.6455823458         2.572249409    
H         0.3517403485        0.4051708006         1.594211740    
O         -3.052541354       -0.7491416361        -2.170490812    
H         -2.829805148        0.1073781377        -1.753866331    
H         -2.262261413       -0.9775549505        -2.684329594    
    63
Energy=    -106.840136555930    
O         0.8065718524         1.288844269        -3.581674357    
H          1.357198445         1.000597038        -2.802036452    
H          1.420052272         1.555732086        -4.266367428    
O        -0.5619451153         3.085471528         2.172529915    
H         -1.472363870         2.821815884         1.956593067    
H        -0.1288269553         2.254279094         2.459138755    
O        -0.6118894180         3.225421081        -2.088443703    
H        -0.1132673499         2.641141742        -2.678875699    
H        -0.1638053291E-01     3.449327824        -1.347956131    
O         0.8800216883         3.817736142        0.1393362744    
H         0.3057813615         3.523532633        0.9079361143    
H         0.9937662794         4.761770379        0.2513572818    
O         -3.254542235       -0.4623789842         2.222778632    
H         -2.503554364       -0.7767534869         2.772766923    
H         -3.288753923        -1.052866225         1.453803321    
O         -2.052123288         1.373432922       -0.8853883892    
H         -1.635737274         2.134841278        -1.356365589    
H         -2.466892277         1.722317900       -0.7513468683E-01
O         -1.046303465        -1.276929435         3.529439055    
H        -0.4807088242       -0.5026562586         3.355307135    
H        -0.5539894917        -2.026611941         3.165654543    
O         0.6317840189        -3.149532245         2.269481344    
H          1.460232636        -2.680732688         1.983043160    
H         0.9133431834        -3.988851139         2.632692804    
O        -0.6714479883        -2.619902325       -0.2296005083E-01
H         -1.640496369        -2.588884950        0.7836900680E-01
H        -0.2929590890        -2.912581273        0.8276611573    
O          2.942295052        -2.095550384        -1.409929558    
H          2.087769255        -2.464931337        -1.773504303    
H          3.643947608        -2.651691104        -1.747191666    
O          2.122957873        0.4710043660        -1.488959094    
H          2.563308776       -0.3955639440        -1.535247454    
H          1.339429320        0.3173903942       -0.8977338991    
O        -0.7116042281       -0.9556816705        -3.715211937    
H        -0.9907698192        -1.039341654        -4.627543860    
H        -0.2349317149       -0.1018481034        -3.643640901    
O         -3.326220055        -2.178384505        0.5331270725E-02
H         -3.274161154        -1.640256615       -0.8335374782    
H         -4.091444573        -2.745947346       -0.8283164424E-01
O          3.263626923        0.6198515736         2.175175073    
H          3.972283723        0.8663280402         2.768461849    
H          3.269415025         1.287548897         1.432525159    
O         -3.037969751         2.037957774         1.534212150    
H         -3.870920687         2.439287207         1.780294768    
H         -3.091311044         1.085990857         1.840943583    
O          2.829190858        -2.006677279         1.381862733    
H          2.990253266        -1.089840553         1.661649174    
H          2.859246679        -2.009066150        0.4104911231    
O         0.1408451439E-01   -0.3178211744E-01   -0.1224270204E-01
H        -0.7704704677        0.4718963532       -0.3376408310    
H        -0.2280170153       -0.9828523026       -0.5178899740E-01
O         0.6619068195        -2.957420246        -2.344650130    
H         0.2151659086        -2.288545002        -2.888516206    
H         0.1425821192        -2.991175432        -1.519499855    
O          3.180010599         2.319178911        0.1891351698    
H          2.403798786         2.907174239        0.2470193084    
H          2.949657784         1.691686179       -0.5209364572    
O         0.5603620337        0.6731345029         2.516660783    
H          1.529384076        0.6455443233         2.572198249    
H         0.3517544693        0.4050543802         1.594219262    
O         -3.052564788       -0.7491218670        -2.170485357    
H         -2.829774933        0.1074028616        -1.753894802    
H         -2.262330043       -0.9775764964        -2.684369044    
    63
Energy=    -106.840136586860    
O         0.8065083550         1.288827769        -3.581688797    
H          1.357144500         1.000627793        -2.802050957    
H          1.419982934         1.555662240        -4.266403581    
O        -0.5619683988         3.085371287         2.172562011    
H         -1.472377963         2.821711318         1.956599791    
H        -0.1288238105         2.254163865         2.459096433    
O        -0.6117883731         3.225417391        -2.088329688    
H        -0.1131901395         2.641159031        -2.678812398    
H        -0.1628039698E-01     3.449336918        -1.347862446    
O         0.8800798111         3.817836264        0.1395058555    
H         0.3058417522         3.523613014        0.9080939771    
H         0.9938518139         4.761868298        0.2515325961    
O         -3.254647161       -0.4624035418         2.222770682    
H         -2.503649874       -0.7767124217         2.772776809    
H         -3.288799388        -1.052893950         1.453794579    
O         -2.051988023         1.373387635       -0.8853771342    
H         -1.635614291         2.134827103        -1.356318785    
H         -2.466836407         1.722234557       -0.7514833032E-01
O         -1.046392039        -1.276856838         3.529472118    
H        -0.4807655824       -0.5026017398         3.355340288    
H        -0.5540974396        -2.026549744         3.165683483    
O         0.6317405073        -3.149383905         2.269490656    
H          1.460165331        -2.680570025         1.982986010    
H         0.9133558760        -3.988715306         2.632626112    
O        -0.6714788455        -2.619948419       -0.2295394127E-01
H         -1.640528377        -2.588936371        0.7834632573E-01
H        -0.2930309696        -2.912525070        0.8277239562    
O          2.942400032        -2.095555660        -1.409980366    
H          2.087890132        -2.464975663        -1.773536451    
H          3.644064477        -2.651719904        -1.747172633    
O          2.122947706        0.4709830780        -1.488969486    
H          2.563429737       -0.3955092735        -1.535182003    
H          1.339440081        0.3173043493       -0.8977268428    
O        -0.7116515922       -0.9557783208        -3.715327038    
H        -0.9907875732        -1.039354911        -4.627671333    
H        -0.2350106839       -0.1019413956        -3.643668902    
O         -3.326255674        -2.178401937        0.5346439951E-02
H         -3.274217905        -1.640221106       -0.8334852334    
H         -4.091475053        -2.745974492       -0.8281170709E-01
O          3.263703579        0.6198549407         2.175080526    
H          3.972363574        0.8664024542         2.768334195    
H          3.269414831         1.287547479         1.432419168    
O         -3.038047076         2.037952675         1.534172608    
H         -3.870942010         2.439381053         1.780266056    
H         -3.091442932         1.086006427         1.840945167    
O          2.829166356        -2.006616099         1.381813442    
H          2.990365344        -1.089792697         1.661568347    
H          2.859218341        -2.009048931        0.4104440821    
O         0.1412704657E-01   -0.3187320009E-01   -0.1223525058E-01
H        -0.7703905164        0.4718814662       -0.3376060066    
H        -0.2280462013       -0.9829236997       -0.5181241040E-01
O         0.6619685033        -2.957508807        -2.344610657    
H         0.2152085440        -2.288675105        -2.888512557    
H         0.1426545164        -2.991210822        -1.519455001    
O          3.179931810         2.319256184        0.1891048970    
H          2.403709684         2.907226743        0.2470692729    
H          2.949563395         1.691788852       -0.5209924324    
O         0.5604131022        0.6730756853         2.516668156    
H          1.529441292        0.6455069310         2.572156862    
H         0.3517673193        0.4049322380         1.594257462    
O         -3.052627546       -0.7490632209        -2.170482265    
H         -2.829725738        0.1074490039        -1.753916372    
H         -2.262471198       -0.9775938632        -2.684437877    
    63
Energy=    -106.840136627400    
O         0.8065205462         1.288880451        -3.581649708    
H          1.357154521         1.000593726        -2.802050833    
H          1.419986267         1.555922655        -4.266290415    
O        -0.5619540211         3.085319553         2.172454875    
H         -1.472359674         2.821607656         1.956540662    
H        -0.1288091699         2.254122366         2.459027674    
O        -0.6117772983         3.225322093        -2.088312362    
H        -0.1131286104         2.641100899        -2.678801129    
H        -0.1627689740E-01     3.449387664        -1.347884382    
O         0.8800955358         3.817878554        0.1394913966    
H         0.3058525581         3.523654947        0.9080843391    
H         0.9938575235         4.761910758        0.2515340258    
O         -3.254757926       -0.4624478543         2.222798259    
H         -2.503719090       -0.7767049355         2.772778871    
H         -3.288868966        -1.052962602         1.453841620    
O         -2.051918182         1.373363772       -0.8853422954    
H         -1.635569448         2.134832273        -1.356273955    
H         -2.466754900         1.722178980       -0.7510035821E-01
O         -1.046485546        -1.276793613         3.529471682    
H        -0.4808058586       -0.5025581399         3.355374558    
H        -0.5541903533        -2.026497187         3.165720313    
O         0.6317212853        -3.149267537         2.269505948    
H          1.460131181        -2.680471821         1.982947057    
H         0.9133484468        -3.988629655         2.632569821    
O        -0.6715095040        -2.620015057       -0.2295874204E-01
H         -1.640554508        -2.588950033        0.7834791938E-01
H        -0.2930985186        -2.912500445        0.8277650583    
O          2.942488913        -2.095599734        -1.410006634    
H          2.087976513        -2.465012582        -1.773555291    
H          3.644118349        -2.651829430        -1.747166183    
O          2.122961276        0.4709290800        -1.488961781    
H          2.563542994       -0.3955075216        -1.535132222    
H          1.339476292        0.3171842815       -0.8977056001    
O        -0.7117239069       -0.9557654312        -3.715351556    
H        -0.9907756975        -1.039284992        -4.627725676    
H        -0.2350070300       -0.1019728435        -3.643658703    
O         -3.326263478        -2.178444585        0.5355267286E-02
H         -3.274264735        -1.640197625       -0.8334344954    
H         -4.091506665        -2.745983512       -0.8280741073E-01
O          3.263753296        0.6198734171         2.175015414    
H          3.972435076        0.8664267718         2.768236622    
H          3.269423534         1.287571363         1.432365371    
O         -3.038088103         2.037962940         1.534186794    
H         -3.870963269         2.439431806         1.780301607    
H         -3.091550453         1.086018787         1.840936423    
O          2.829150317        -2.006587560         1.381782282    
H          2.990434553        -1.089766508         1.661503350    
H          2.859213629        -2.009053303        0.4104192976    
O         0.1417337822E-01   -0.3194928084E-01   -0.1218278777E-01
H        -0.7703121602        0.4718531186       -0.3375590026    
H        -0.2280629018       -0.9829883257       -0.5179157046E-01
O         0.6620235313        -2.957510037        -2.344607553    
H         0.2152367054        -2.288717639        -2.888536656    
H         0.1426845556        -2.991262438        -1.519473727    
O          3.179868002         2.319302589        0.1891135851    
H          2.403642471         2.907269187        0.2470649859    
H          2.949527367         1.691857881       -0.5210101424    
O         0.5604373135        0.6730246938         2.516687976    
H          1.529467440        0.6454865209         2.572154704    
H         0.3518084327        0.4048395012         1.594285791    
O         -3.052688425       -0.7490065520        -2.170472302    
H         -2.829683144        0.1074704649        -1.753880768    
H         -2.262572259       -0.9775823693        -2.684469825    
    63
Energy=    -106.840136727920    
O         0.8064496150         1.288769968        -3.581474361    
H          1.357152671         1.000440376        -2.801954977    
H          1.419854206         1.555892392        -4.266134413    
O        -0.5619265792         3.085116688         2.172396480    
H         -1.472305909         2.821340296         1.956452390    
H        -0.1287110178         2.253975727         2.459035379    
O        -0.6117500157         3.225525621        -2.088274377    
H        -0.1129834147         2.641288415        -2.678631955    
H        -0.1636656503E-01     3.449644387        -1.347755696    
O         0.8800030042         3.817904632        0.1394762812    
H         0.3057414269         3.523543219        0.9080062917    
H         0.9938170800         4.761911409        0.2516862412    
O         -3.255188704       -0.4624762290         2.222847303    
H         -2.504112865       -0.7765936006         2.772851861    
H         -3.289317598        -1.053122060         1.453990226    
O         -2.051656444         1.373339189       -0.8851613515    
H         -1.635431144         2.134837238        -1.356139238    
H         -2.466546913         1.722127370       -0.7492965679E-01
O         -1.046796470        -1.276550538         3.529522431    
H        -0.4810415096       -0.5023776701         3.355433517    
H        -0.5545178267        -2.026303672         3.165850992    
O         0.6316699468        -3.148884212         2.269596625    
H          1.460055762        -2.680076090         1.982990480    
H         0.9133328396        -3.988345484         2.632409280    
O        -0.6715833330        -2.620272114       -0.2303870185E-01
H         -1.640621374        -2.589098230        0.7825771251E-01
H        -0.2931798925        -2.912545231        0.8277640329    
O          2.942841267        -2.095664319        -1.410144192    
H          2.088260449        -2.464930527        -1.773644954    
H          3.644332228        -2.652186977        -1.747117039    
O          2.123027507        0.4708441079        -1.488849238    
H          2.563744539       -0.3955083702        -1.535172828    
H          1.339574685        0.3169344950       -0.8975937519    
O        -0.7117749913       -0.9558326350        -3.715348589    
H        -0.9907580728        -1.039079156        -4.627772486    
H        -0.2351076640       -0.1020345383        -3.643394248    
O         -3.326359130        -2.178400900        0.5311113887E-02
H         -3.274301825        -1.640100622       -0.8334455748    
H         -4.091649703        -2.745865306       -0.8292058654E-01
O          3.263928546        0.6199875851         2.174781159    
H          3.972692787        0.8664845672         2.767928246    
H          3.269526729         1.287737342         1.432173321    
O         -3.038139519         2.037864211         1.534189065    
H         -3.870934418         2.439550552         1.780223218    
H         -3.091859089         1.085911616         1.840884761    
O          2.829123084        -2.006464691         1.381569191    
H          2.990469937        -1.089651638         1.661267031    
H          2.859262752        -2.008971855        0.4102058209    
O         0.1424638166E-01   -0.3226137826E-01   -0.1205979617E-01
H        -0.7701713205        0.4716428103       -0.3374409320    
H        -0.2281201841       -0.9832702272       -0.5165166850E-01
O         0.6622408591        -2.957503636        -2.344682006    
H         0.2153239173        -2.288805960        -2.888618017    
H         0.1428359274        -2.991457647        -1.519605904    
O          3.179897894         2.319483507        0.1889383593    
H          2.403613911         2.907359944        0.2470007604    
H          2.949480908         1.691932552       -0.5210717482    
O         0.5606162808        0.6729318501         2.516736625    
H          1.529648110        0.6454281952         2.572180458    
H         0.3519612540        0.4046464619         1.594368944    
O         -3.052733865       -0.7488961677        -2.170409684    
H         -2.829499098        0.1075204691        -1.753809015    
H         -2.262768945       -0.9776279115        -2.684569131    
    63
Energy=    -106.840136742370    
O         0.8064528526         1.288758836        -3.581451247    
H          1.357150547         1.000435727        -2.801908649    
H          1.419847393         1.555809168        -4.266143781    
O        -0.5619288158         3.085130431         2.172403207    
H         -1.472306343         2.821338290         1.956470477    
H        -0.1287128099         2.253996814         2.459049220    
O        -0.6117672216         3.225548055        -2.088251704    
H        -0.1130192264         2.641322753        -2.678637313    
H        -0.1636077477E-01     3.449641258        -1.347737684    
O         0.8800093099         3.817901938        0.1394769017    
H         0.3057273627         3.523533000        0.9079873903    
H         0.9937491060         4.761911437        0.2516868319    
O         -3.255242279       -0.4624803985         2.222871773    
H         -2.504145295       -0.7766014558         2.772853673    
H         -3.289350138        -1.053108211         1.453996752    
O         -2.051655128         1.373341967       -0.8851484195    
H         -1.635426083         2.134841934        -1.356127134    
H         -2.466544126         1.722143764       -0.7492674113E-01
O         -1.046810818        -1.276539071         3.529516176    
H        -0.4810542372       -0.5023690170         3.355419541    
H        -0.5545242149        -2.026292073         3.165864325    
O         0.6316732995        -3.148882296         2.269607216    
H          1.460069668        -2.680089383         1.983000682    
H         0.9133196563        -3.988347082         2.632410157    
O        -0.6715827478        -2.620289453       -0.2305210124E-01
H         -1.640622325        -2.589108255        0.7826131790E-01
H        -0.2931670091        -2.912580579        0.8277469496    
O          2.942839484        -2.095663358        -1.410155632    
H          2.088259695        -2.464922848        -1.773660017    
H          3.644320980        -2.652208087        -1.747114677    
O          2.123035437        0.4708474514        -1.488843921    
H          2.563726824       -0.3955177089        -1.535208469    
H          1.339582073        0.3169285680       -0.8975920982    
O        -0.7117713506       -0.9558260647        -3.715327606    
H        -0.9907538043        -1.039100720        -4.627748798    
H        -0.2351148265       -0.1020299113        -3.643389224    
O         -3.326371467        -2.178382169        0.5313533300E-02
H         -3.274292554        -1.640103564       -0.8334534898    
H         -4.091663016        -2.745842984       -0.8294560877E-01
O          3.263918206        0.6200070923         2.174793497    
H          3.972703442        0.8664609822         2.767925553    
H          3.269544569         1.287751006         1.432179896    
O         -3.038123361         2.037853539         1.534189521    
H         -3.870913325         2.439528671         1.780228968    
H         -3.091843232         1.085904255         1.840893018    
O          2.829116384        -2.006457802         1.381566905    
H          2.990430846        -1.089636166         1.661262967    
H          2.859288059        -2.008962220        0.4102029676    
O         0.1425255100E-01   -0.3226371605E-01   -0.1206142449E-01
H        -0.7701820135        0.4716068897       -0.3374486019    
H        -0.2280770577       -0.9832739756       -0.5166154752E-01
O         0.6622413898        -2.957481276        -2.344706976    
H         0.2153154861        -2.288771142        -2.888626438    
H         0.1428574482        -2.991434325        -1.519613598    
O          3.179921908         2.319464905        0.1889223913    
H          2.403656548         2.907373599        0.2469672253    
H          2.949485152         1.691923614       -0.5210824578    
O         0.5606160441        0.6729321573         2.516727796    
H          1.529647334        0.6454382519         2.572188902    
H         0.3519923840        0.4046686632         1.594345484    
O         -3.052712682       -0.7488934602        -2.170434915    
H         -2.829478043        0.1075011249        -1.753802341    
H         -2.262724013       -0.9776297670        -2.684559121    
    63
Energy=    -106.840136752590    
O         0.8064388467         1.288747385        -3.581340789    
H          1.357124492         1.000438023        -2.801776962    
H          1.419820580         1.555754916        -4.266064377    
O        -0.5619396115         3.085063588         2.172367669    
H         -1.472319337         2.821248706         1.956464368    
H        -0.1286703512         2.253961184         2.459013554    
O        -0.6117757460         3.225582279        -2.088165187    
H        -0.1130700622         2.641354271        -2.678587098    
H        -0.1631193860E-01     3.449628228        -1.347686345    
O         0.8800131493         3.817970905        0.1394965118    
H         0.3057282853         3.523527831        0.9079722292    
H         0.9935855378         4.761994608        0.2517298359    
O         -3.255502432       -0.4625129402         2.222941154    
H         -2.504361791       -0.7765942483         2.772886364    
H         -3.289544753        -1.053099962         1.454030485    
O         -2.051546062         1.373305140       -0.8850899551    
H         -1.635308656         2.134820224        -1.356041848    
H         -2.466471859         1.722129998       -0.7490111302E-01
O         -1.046945548        -1.276425744         3.529522198    
H        -0.4811619392       -0.5022778204         3.355414532    
H        -0.5546490427        -2.026198253         3.165924303    
O         0.6316402230        -3.148757866         2.269627184    
H          1.460034913        -2.679974564         1.983007210    
H         0.9132915829        -3.988250992         2.632360592    
O        -0.6716069423        -2.620403111       -0.2308840128E-01
H         -1.640646311        -2.589188289        0.7823607792E-01
H        -0.2931800656        -2.912636504        0.8277315208    
O          2.942939148        -2.095710970        -1.410236375    
H          2.088346471        -2.464941927        -1.773732485    
H          3.644381331        -2.652361249        -1.747102440    
O          2.123088553        0.4708014488        -1.488810977    
H          2.563805514       -0.3955349921        -1.535271878    
H          1.339652896        0.3168072689       -0.8975494987    
O        -0.7118237848       -0.9558332214        -3.715326318    
H        -0.9907606255        -1.039142444        -4.627756736    
H        -0.2351639761       -0.1020373194        -3.643387806    
O         -3.326445154        -2.178353820        0.5321670643E-02
H         -3.274317362        -1.640062512       -0.8334297367    
H         -4.091741606        -2.745796469       -0.8301258861E-01
O          3.263956791        0.6200699331         2.174748112    
H          3.972839219        0.8664309644         2.767806336    
H          3.269589086         1.287820236         1.432144656    
O         -3.038124087         2.037786544         1.534199765    
H         -3.870871877         2.439541137         1.780255977    
H         -3.091931899         1.085850798         1.840925955    
O          2.829092649        -2.006379064         1.381503639    
H          2.990403680        -1.089547797         1.661180208    
H          2.859358903        -2.008942112        0.4101431975    
O         0.1432344327E-01   -0.3237753978E-01   -0.1204344177E-01
H        -0.7701138510        0.4714970739       -0.3374074549    
H        -0.2279866927       -0.9833895473       -0.5168872345E-01
O         0.6623156367        -2.957449389        -2.344750557    
H         0.2153571541        -2.288738675        -2.888649367    
H         0.1429501761        -2.991422053        -1.519649704    
O          3.179923492         2.319492981        0.1888500292    
H          2.403701679         2.907464245        0.2468759203    
H          2.949454621         1.691957522       -0.5211494521    
O         0.5606687365        0.6728993063         2.516731071    
H          1.529698802        0.6454435605         2.572216513    
H         0.3520959597        0.4046296489         1.594336268    
O         -3.052707677       -0.7488329272        -2.170442997    
H         -2.829395511        0.1075095977        -1.753760157    
H         -2.262713898       -0.9775976288        -2.684554856    
    63
Energy=    -106.840136768010    
O         0.8064082559         1.288856296        -3.581141346    
H          1.357098399         1.000445030        -2.801625834    
H          1.419861367         1.555943240        -4.265769658    
O        -0.5619357047         3.084953145         2.172236170    
H         -1.472318674         2.821091124         1.956402907    
H        -0.1286252571         2.253870811         2.458878737    
O        -0.6118525224         3.225551648        -2.088163792    
H        -0.1131831507         2.641292109        -2.678589520    
H        -0.1633186996E-01     3.449665200        -1.347748492    
O         0.8799728843         3.818065217        0.1394156600    
H         0.3057601163         3.523496085        0.9079010557    
H         0.9933893577         4.762113846        0.2516422084    
O         -3.255841080       -0.4625644740         2.223024668    
H         -2.504690781       -0.7766070518         2.772977403    
H         -3.289825713        -1.053094670         1.454066022    
O         -2.051368021         1.373226640       -0.8849843016    
H         -1.635166114         2.134758067        -1.355954545    
H         -2.466379354         1.722010615       -0.7482271272E-01
O         -1.047151656        -1.276260807         3.529504477    
H        -0.4813396947       -0.5021295400         3.355438738    
H        -0.5548417335        -2.026054777         3.165978443    
O         0.6315676363        -3.148593895         2.269621135    
H          1.459932517        -2.679791632         1.982968957    
H         0.9132403008        -3.988097392         2.632323600    
O        -0.6716615431        -2.620580338       -0.2315819072E-01
H         -1.640691062        -2.589292502        0.7820177113E-01
H        -0.2932368490        -2.912692815        0.8277023345    
O          2.943084388        -2.095854269        -1.410333330    
H          2.088464203        -2.465011413        -1.773856343    
H          3.644491185        -2.652616071        -1.747081693    
O          2.123187453        0.4706414421        -1.488780610    
H          2.563959607       -0.3956663947        -1.535279713    
H          1.339808656        0.3166130240       -0.8974543582    
O        -0.7118317800       -0.9557784713        -3.715298619    
H        -0.9907714934        -1.039114487        -4.627729779    
H        -0.2351781287       -0.1019774460        -3.643340442    
O         -3.326500978        -2.178354859        0.5301923123E-02
H         -3.274344852        -1.639982133       -0.8334016672    
H         -4.091834488        -2.745742052       -0.8307038477E-01
O          3.264054151        0.6201428691         2.174674366    
H          3.973071211        0.8663941353         2.767622326    
H          3.269600479         1.287919784         1.432103327    
O         -3.038146926         2.037684618         1.534283733    
H         -3.870840944         2.439565005         1.780321251    
H         -3.092093002         1.085743363         1.840995594    
O          2.829070785        -2.006262000         1.381426077    
H          2.990402783        -1.089413816         1.661036362    
H          2.859448808        -2.008915753        0.4100718812    
O         0.1447178147E-01   -0.3258287151E-01   -0.1201832682E-01
H        -0.7699467918        0.4713747573       -0.3373126516    
H        -0.2278932298       -0.9835813003       -0.5173009770E-01
O         0.6623925013        -2.957363385        -2.344805306    
H         0.2154303539        -2.288630378        -2.888664336    
H         0.1429964239        -2.991423809        -1.519732711    
O          3.179942644         2.319612007        0.1887465755    
H          2.403724717         2.907586129        0.2467391489    
H          2.949474758         1.691984996       -0.5211745384    
O         0.5607631455        0.6728803469         2.516747650    
H          1.529786813        0.6454639969         2.572284269    
H         0.3522176735        0.4044954970         1.594384359    
O         -3.052669492       -0.7487556567        -2.170333584    
H         -2.829354637        0.1075950182        -1.753646705    
H         -2.262716730       -0.9774920010        -2.684510062    
    63
Energy=    -106.840136774580    
O         0.8063731101         1.288791222        -3.581131960    
H          1.357042679         1.000380962        -2.801599058    
H          1.419822394         1.555883747        -4.265760623    
O        -0.5619398992         3.084931751         2.172263000    
H         -1.472320459         2.821064430         1.956419152    
H        -0.1286330394         2.253838191         2.458881957    
O        -0.6118319975         3.225540059        -2.088135313    
H        -0.1131381679         2.641279632        -2.678544260    
H        -0.1632944744E-01     3.449712052        -1.347727043    
O         0.8799903062         3.818093568        0.1394594197    
H         0.3057710949         3.523527112        0.9079381489    
H         0.9933065547         4.762157063        0.2516566902    
O         -3.255970005       -0.4625793662         2.223047739    
H         -2.504826278       -0.7766268161         2.773003171    
H         -3.289910645        -1.053085185         1.454067831    
O         -2.051307349         1.373188439       -0.8849496866    
H         -1.635132325         2.134738545        -1.355914688    
H         -2.466343982         1.721949970       -0.7479492482E-01
O         -1.047225830        -1.276208318         3.529474314    
H        -0.4814148878       -0.5020774351         3.355417221    
H        -0.5548999558        -2.025996377         3.165959759    
O         0.6315357161        -3.148553608         2.269613784    
H          1.459894629        -2.679756729         1.982938476    
H         0.9132302574        -3.988045566         2.632325354    
O        -0.6716889635        -2.620626068       -0.2318423673E-01
H         -1.640715831        -2.589314781        0.7817985907E-01
H        -0.2932527163        -2.912718343        0.8276774583    
O          2.943125050        -2.095870367        -1.410348950    
H          2.088508527        -2.464999551        -1.773907871    
H          3.644535732        -2.652639182        -1.747081906    
O          2.123215671        0.4706213318        -1.488787748    
H          2.563974027       -0.3956954850        -1.535291318    
H          1.339845349        0.3165853708       -0.8974563902    
O        -0.7118093524       -0.9558185499        -3.715284814    
H        -0.9907814503        -1.039179224        -4.627700212    
H        -0.2351926845       -0.1019915545        -3.643362676    
O         -3.326495168        -2.178327563        0.5303158700E-02
H         -3.274309377        -1.639969929       -0.8334092581    
H         -4.091842697        -2.745692869       -0.8308566898E-01
O          3.264080411        0.6201770909         2.174649555    
H          3.973151553        0.8663839390         2.767547381    
H          3.269618372         1.287968380         1.432088585    
O         -3.038136416         2.037639723         1.534303581    
H         -3.870817001         2.439560892         1.780334401    
H         -3.092140545         1.085707334         1.841031197    
O          2.829046011        -2.006208614         1.381392971    
H          2.990386892        -1.089363255         1.660990780    
H          2.859454189        -2.008874027        0.4100368454    
O         0.1451777336E-01   -0.3265089019E-01   -0.1199841370E-01
H        -0.7698834956        0.4713194097       -0.3373118645    
H        -0.2278676760       -0.9836425110       -0.5176236408E-01
O         0.6623983228        -2.957326238        -2.344819525    
H         0.2154378249        -2.288575519        -2.888663558    
H         0.1429908712        -2.991414386        -1.519754848    
O          3.179973671         2.319650112        0.1887269870    
H          2.403767148         2.907634099        0.2467051010    
H          2.949498112         1.692003665       -0.5211728642    
O         0.5607800111        0.6728798650         2.516742268    
H          1.529801080        0.6454941175         2.572293121    
H         0.3522622256        0.4044452071         1.594387982    
O         -3.052647422       -0.7487237728        -2.170313078    
H         -2.829337130        0.1076292436        -1.753622664    
H         -2.262682266       -0.9774668424        -2.684469984    
    63
Energy=    -106.840136777600    
O         0.8063345526         1.288727753        -3.581138192    
H          1.356998214         1.000321525        -2.801603564    
H          1.419776164         1.555829051        -4.265776439    
O        -0.5619483605         3.084900234         2.172297185    
H         -1.472326295         2.821050054         1.956436313    
H        -0.1286270375         2.253801530         2.458897244    
O        -0.6117839206         3.225536701        -2.088117949    
H        -0.1130712941         2.641265079        -2.678493049    
H        -0.1630234317E-01     3.449732300        -1.347702668    
O         0.8799980791         3.818128578        0.1395193826    
H         0.3057852733         3.523549434        0.9080011712    
H         0.9932957269         4.762198145        0.2517100576    
O         -3.256057587       -0.4625977659         2.223051787    
H         -2.504915274       -0.7766303453         2.773010683    
H         -3.289959318        -1.053090203         1.454060812    
O         -2.051255815         1.373160035       -0.8849324170    
H         -1.635099328         2.134722453        -1.355878849    
H         -2.466302043         1.721910206       -0.7477070323E-01
O         -1.047282153        -1.276174216         3.529458315    
H        -0.4814706524       -0.5020401988         3.355401080    
H        -0.5549509261        -2.025956924         3.165930044    
O         0.6315157129        -3.148510528         2.269603335    
H          1.459864109        -2.679708669         1.982903116    
H         0.9132289555        -3.987995456         2.632318256    
O        -0.6717016416        -2.620646163       -0.2320105293E-01
H         -1.640731358        -2.589323607        0.7815531527E-01
H        -0.2932764126        -2.912715750        0.8276711964    
O          2.943163731        -2.095856180        -1.410370652    
H          2.088553216        -2.464996682        -1.773927143    
H          3.644579584        -2.652632279        -1.747088807    
O          2.123227007        0.4706272731        -1.488782189    
H          2.563996398       -0.3956811265        -1.535290860    
H          1.339854092        0.3165675812       -0.8974564971    
O        -0.7118276166       -0.9558680769        -3.715286721    
H        -0.9908022194        -1.039246125        -4.627701217    
H        -0.2352073271       -0.1020345355        -3.643393084    
O         -3.326491109        -2.178306017        0.5309724144E-02
H         -3.274290719        -1.639953933       -0.8334048425    
H         -4.091843612        -2.745666796       -0.8308259902E-01
O          3.264104529        0.6202032260         2.174619406    
H          3.973212093        0.8663928291         2.767486367    
H          3.269637101         1.288000076         1.432066027    
O         -3.038146801         2.037613675         1.534302254    
H         -3.870805882         2.439575698         1.780331511    
H         -3.092185497         1.085688187         1.841047530    
O          2.829020692        -2.006167885         1.381357228    
H          2.990399571        -1.089328254         1.660961796    
H          2.859433436        -2.008846074        0.4100052563    
O         0.1454458905E-01   -0.3270553186E-01   -0.1198907843E-01
H        -0.7698314539        0.4712962417       -0.3373061881    
H        -0.2278722943       -0.9836912477       -0.5177173201E-01
O         0.6624172423        -2.957324413        -2.344814986    
H         0.2154521267        -2.288576675        -2.888662857    
H         0.1429993800        -2.991423908        -1.519758339    
O          3.179975814         2.319678337        0.1887161076    
H          2.403776404         2.907666112        0.2467084445    
H          2.949501725         1.692036004       -0.5211857483    
O         0.5607933339        0.6728626861         2.516745512    
H          1.529815187        0.6455081326         2.572295150    
H         0.3522808874        0.4043977269         1.594400733    
O         -3.052657219       -0.7486907107        -2.170311910    
H         -2.829315719        0.1076551691        -1.753620656    
H         -2.262684593       -0.9774581588        -2.684447868    
    63
Energy=    -106.840136784560    
O         0.8062953206         1.288677141        -3.581113127    
H          1.356993936         1.000259439        -2.801602721    
H          1.419719447         1.555702190        -4.265793160    
O        -0.5619438070         3.084885331         2.172344210    
H         -1.472323237         2.821041662         1.956480242    
H        -0.1286311352         2.253780712         2.458930540    
O        -0.6117576344         3.225565160        -2.088119684    
H        -0.1130485561         2.641264618        -2.678469335    
H        -0.1628776018E-01     3.449739248        -1.347686591    
O         0.8799723949         3.818146322        0.1395543359    
H         0.3057964634         3.523540658        0.9080511712    
H         0.9932688245         4.762214585        0.2517457190    
O         -3.256146618       -0.4626265277         2.223055517    
H         -2.504992780       -0.7766391684         2.773014312    
H         -3.290000653        -1.053096265         1.454040932    
O         -2.051210613         1.373149823       -0.8848921442    
H         -1.635080662         2.134717820        -1.355852999    
H         -2.466248488         1.721876523       -0.7471678248E-01
O         -1.047334967        -1.276160869         3.529423086    
H        -0.4815381889       -0.5020180125         3.355377792    
H        -0.5550034958        -2.025924413         3.165863070    
O         0.6314959152        -3.148476189         2.269568578    
H          1.459840391        -2.679670254         1.982861184    
H         0.9132123603        -3.987932268         2.632351947    
O        -0.6717137012        -2.620661217       -0.2323591171E-01
H         -1.640742703        -2.589321340        0.7812093787E-01
H        -0.2933017899        -2.912733506        0.8276420688    
O          2.943182091        -2.095842168        -1.410404459    
H          2.088568303        -2.465012628        -1.773929343    
H          3.644603106        -2.652602494        -1.747124708    
O          2.123226830        0.4706407718        -1.488766575    
H          2.564012203       -0.3956598387        -1.535293890    
H          1.339858827        0.3165604174       -0.8974356435    
O        -0.7118560683       -0.9558900326        -3.715251280    
H        -0.9908349514        -1.039343528        -4.627656574    
H        -0.2352034762       -0.1020685950        -3.643407466    
O         -3.326471029        -2.178273261        0.5304593272E-02
H         -3.274269592        -1.639913881       -0.8334094895    
H         -4.091828304        -2.745625633       -0.8307541539E-01
O          3.264128610        0.6202562941         2.174615220    
H          3.973287954        0.8663909176         2.767439584    
H          3.269669634         1.288040091         1.432047617    
O         -3.038148002         2.037588942         1.534304567    
H         -3.870803104         2.439575811         1.780308657    
H         -3.092216433         1.085665194         1.841054316    
O          2.828975484        -2.006121643         1.381336826    
H          2.990381812        -1.089288270         1.660942946    
H          2.859392162        -2.008802319        0.4099830607    
O         0.1457924019E-01   -0.3275012800E-01   -0.1199314362E-01
H        -0.7697867610        0.4712722560       -0.3373034969    
H        -0.2278595957       -0.9837311221       -0.5176963458E-01
O         0.6624410937        -2.957313667        -2.344828669    
H         0.2154634422        -2.288562606        -2.888659846    
H         0.1430234320        -2.991426563        -1.519772458    
O          3.180012553         2.319700164        0.1886883546    
H          2.403809118         2.907679555        0.2467051784    
H          2.949525683         1.692054754       -0.5212101071    
O         0.5608039398        0.6728324735         2.516750805    
H          1.529825281        0.6455294234         2.572309280    
H         0.3523097359        0.4043547375         1.594404001    
O         -3.052643409       -0.7486645696        -2.170318670    
H         -2.829293494        0.1076705474        -1.753614769    
H         -2.262643478       -0.9774630049        -2.684403075    
    63
Energy=    -106.840136785740    
O         0.8062934362         1.288667785        -3.581101238    
H          1.357001157         1.000253786        -2.801593658    
H          1.419708166         1.555679004        -4.265794639    
O        -0.5619426576         3.084882293         2.172352375    
H         -1.472320531         2.821037719         1.956489543    
H        -0.1286311159         2.253775125         2.458933977    
O        -0.6117588292         3.225568798        -2.088117744    
H        -0.1130539944         2.641263238        -2.678466629    
H        -0.1628835517E-01     3.449739824        -1.347683579    
O         0.8799687901         3.818147299        0.1395540332    
H         0.3057982541         3.523543711        0.9080537540    
H         0.9932564722         4.762215978        0.2517474043    
O         -3.256171422       -0.4626329601         2.223058078    
H         -2.505016763       -0.7766430712         2.773017444    
H         -3.290015755        -1.053098791         1.454039553    
O         -2.051194014         1.373147677       -0.8848786718    
H         -1.635074231         2.134717210        -1.355844206    
H         -2.466233014         1.721869948       -0.7470068909E-01
O         -1.047351940        -1.276157393         3.529411152    
H        -0.4815559564       -0.5020126067         3.355373934    
H        -0.5550182593        -2.025915913         3.165844846    
O         0.6314863031        -3.148465947         2.269559050    
H          1.459831098        -2.679659290         1.982854501    
H         0.9132091141        -3.987911184         2.632361744    
O        -0.6717183907        -2.620671559       -0.2324323915E-01
H         -1.640748892        -2.589323562        0.7811075521E-01
H        -0.2933061758        -2.912742643        0.8276350885    
O          2.943187098        -2.095846170        -1.410409798    
H          2.088571872        -2.465018259        -1.773929919    
H          3.644608414        -2.652602251        -1.747134124    
O          2.123230262        0.4706406850        -1.488763780    
H          2.564021402       -0.3956558681        -1.535293021    
H          1.339866774        0.3165535978       -0.8974282230    
O        -0.7118580760       -0.9558912337        -3.715243800    
H        -0.9908407135        -1.039358748        -4.627646508    
H        -0.2352046112       -0.1020691951        -3.643410636    
O         -3.326465253        -2.178265065        0.5301932692E-02
H         -3.274270250        -1.639900315       -0.8334095707    
H         -4.091825021        -2.745614568       -0.8307419380E-01
O          3.264135868        0.6202694457         2.174613658    
H          3.973310544        0.8663894890         2.767425553    
H          3.269678153         1.288050549         1.432043554    
O         -3.038147051         2.037580462         1.534311994    
H         -3.870802572         2.439574403         1.780304751    
H         -3.092230496         1.085654461         1.841057163    
O          2.828963324        -2.006109073         1.381332053    
H          2.990374219        -1.089277100         1.660935191    
H          2.859380228        -2.008790024        0.4099771769    
O         0.1459002056E-01   -0.3276178994E-01   -0.1198920672E-01
H        -0.7697739457        0.4712626714       -0.3373005903    
H        -0.2278530965       -0.9837416641       -0.5177025796E-01
O         0.6624476394        -2.957311995        -2.344833630    
H         0.2154682671        -2.288557192        -2.888660232    
H         0.1430324704        -2.991428368        -1.519775753    
O          3.180022190         2.319708677        0.1886777193    
H          2.403815427         2.907680975        0.2466987274    
H          2.949530784         1.692060406       -0.5212186248    
O         0.5608078586        0.6728274718         2.516750158    
H          1.529828341        0.6455333782         2.572312569    
H         0.3523192842        0.4043428200         1.594403661    
O         -3.052636869       -0.7486600472        -2.170312569    
H         -2.829289049        0.1076750486        -1.753609611    
H         -2.262634826       -0.9774624871        -2.684395269    
    63
Energy=    -106.840136789310    
O         0.8063327138         1.288616989        -3.581067948    
H          1.357073395         1.000269946        -2.801562681    
H          1.419700976         1.555655451        -4.265792981    
O        -0.5619138571         3.084878296         2.172345291    
H         -1.472305633         2.821041085         1.956532985    
H        -0.1285935221         2.253773588         2.458927390    
O        -0.6118113722         3.225501174        -2.088143509    
H        -0.1131168723         2.641180605        -2.678488894    
H        -0.1631608894E-01     3.449707643        -1.347742786    
O         0.8799589930         3.818131597        0.1395081351    
H         0.3057707149         3.523548476        0.9080016447    
H         0.9932875047         4.762199943        0.2516817021    
O         -3.256288879       -0.4626759374         2.223060575    
H         -2.505118914       -0.7766633756         2.773012169    
H         -3.290090457        -1.053136674         1.454034087    
O         -2.051132886         1.373137232       -0.8847733277    
H         -1.635048472         2.134716504        -1.355759633    
H         -2.466112573         1.721866799       -0.7456729090E-01
O         -1.047437137        -1.276193323         3.529306067    
H        -0.4816441454       -0.5020304921         3.355359272    
H        -0.5550965284        -2.025915603         3.165661158    
O         0.6314337157        -3.148419940         2.269514020    
H          1.459758960        -2.679582006         1.982802023    
H         0.9131896230        -3.987804500         2.632434555    
O        -0.6717298708        -2.620713413       -0.2330871682E-01
H         -1.640759291        -2.589299770        0.7804259199E-01
H        -0.2933569328        -2.912800684        0.8275745288    
O          2.943198426        -2.095843733        -1.410398201    
H          2.088580507        -2.465014225        -1.773911168    
H          3.644615361        -2.652567633        -1.747207033    
O          2.123298991        0.4706407658        -1.488718950    
H          2.564104000       -0.3956489512        -1.535264227    
H          1.339938622        0.3165337473       -0.8973833291    
O        -0.7118632834       -0.9559145430        -3.715223225    
H        -0.9908850672        -1.039389363        -4.627613617    
H        -0.2352227410       -0.1020812444        -3.643414370    
O         -3.326451063        -2.178205902        0.5309230333E-02
H         -3.274292147        -1.639829135       -0.8334033935    
H         -4.091783967        -2.745587096       -0.8304538141E-01
O          3.264188562        0.6203095169         2.174596835    
H          3.973423549        0.8663851170         2.767355454    
H          3.269714129         1.288101907         1.432042522    
O         -3.038150607         2.037541041         1.534400540    
H         -3.870816419         2.439558492         1.780313803    
H         -3.092320097         1.085598673         1.841088305    
O          2.828889881        -2.006038789         1.381298842    
H          2.990311677        -1.089206702         1.660910022    
H          2.859279846        -2.008729197        0.4099475110    
O         0.1465693816E-01   -0.3281021750E-01   -0.1195346124E-01
H        -0.7697049593        0.4712430828       -0.3372394428    
H        -0.2278051334       -0.9837850101       -0.5174044915E-01
O         0.6624902232        -2.957338238        -2.344837077    
H         0.2155158900        -2.288564994        -2.888645149    
H         0.1430686932        -2.991470713        -1.519786934    
O          3.180037815         2.319766685        0.1886453078    
H          2.403791104         2.907691539        0.2466836679    
H          2.949578703         1.692110230       -0.5212475360    
O         0.5608176777        0.6728114054         2.516771229    
H          1.529834477        0.6455355948         2.572351230    
H         0.3523527856        0.4042995260         1.594425660    
O         -3.052629916       -0.7486117113        -2.170283840    
H         -2.829251257        0.1077069422        -1.753549383    
H         -2.262633265       -0.9774288753        -2.684354936    
    63
Energy=    -106.840136795780    
O         0.8063492854         1.288642994        -3.581056672    
H          1.357088586         1.000272044        -2.801557565    
H          1.419732817         1.555630856        -4.265788621    
O        -0.5619018486         3.084856736         2.172346130    
H         -1.472302322         2.821024881         1.956574407    
H        -0.1285784750         2.253749288         2.458917081    
O        -0.6118342489         3.225498146        -2.088133645    
H        -0.1131515938         2.641177860        -2.678486270    
H        -0.1633312297E-01     3.449702095        -1.347733612    
O         0.8799374309         3.818116814        0.1394909187    
H         0.3057710299         3.523543036        0.9080037523    
H         0.9932730109         4.762180611        0.2516731658    
O         -3.256356118       -0.4626945080         2.223080832    
H         -2.505162352       -0.7766647168         2.773011404    
H         -3.290134142        -1.053124719         1.454030927    
O         -2.051095023         1.373115582       -0.8847024004    
H         -1.635030676         2.134689648        -1.355711404    
H         -2.466088182         1.721841731       -0.7449844505E-01
O         -1.047473771        -1.276198597         3.529269956    
H        -0.4816700351       -0.5020396652         3.355347253    
H        -0.5551468703        -2.025910940         3.165586139    
O         0.6313772683        -3.148398649         2.269515094    
H          1.459694338        -2.679547748         1.982802911    
H         0.9131694053        -3.987717956         2.632555166    
O        -0.6717502481        -2.620750768       -0.2335595680E-01
H         -1.640779381        -2.589295406        0.7799684551E-01
H        -0.2933707081        -2.912854105        0.8275232578    
O          2.943192398        -2.095855581        -1.410403659    
H          2.088561194        -2.465006339        -1.773917405    
H          3.644603014        -2.652565243        -1.747227561    
O          2.123352299        0.4706159729        -1.488741414    
H          2.564137986       -0.3956870402        -1.535274204    
H          1.340003565        0.3165223212       -0.8973945307    
O        -0.7118482179       -0.9559085873        -3.715189187    
H        -0.9908764786        -1.039379454        -4.627579240    
H        -0.2352167300       -0.1020748249        -3.643371329    
O         -3.326458556        -2.178186514        0.5315758628E-02
H         -3.274282189        -1.639815860       -0.8333972920    
H         -4.091788353        -2.745575114       -0.8304939387E-01
O          3.264217216        0.6203579153         2.174570751    
H          3.973494136        0.8663982535         2.767293002    
H          3.269731959         1.288147820         1.432012639    
O         -3.038148349         2.037514948         1.534438105    
H         -3.870839933         2.439533511         1.780268789    
H         -3.092339714         1.085569759         1.841125334    
O          2.828807923        -2.005976911         1.381305792    
H          2.990256459        -1.089144306         1.660886024    
H          2.859260943        -2.008697268        0.4099530787    
O         0.1469714635E-01   -0.3285246290E-01   -0.1196351271E-01
H        -0.7696745743        0.4711970495       -0.3372196003    
H        -0.2277654214       -0.9838261093       -0.5176894280E-01
O         0.6625001900        -2.957348552        -2.344849359    
H         0.2155443868        -2.288546919        -2.888641827    
H         0.1430548433        -2.991518769        -1.519814404    
O          3.180050478         2.319806510        0.1886223566    
H          2.403796609         2.907719870        0.2466432106    
H          2.949602600         1.692133156       -0.5212648448    
O         0.5608405626        0.6727973173         2.516768595    
H          1.529859730        0.6455395434         2.572353176    
H         0.3523817331        0.4042865605         1.594422858    
O         -3.052609823       -0.7485764788        -2.170272214    
H         -2.829222402        0.1077212980        -1.753504176    
H         -2.262599580       -0.9774064156        -2.684326540    
    63
Energy=    -106.840136798450    
O         0.8063805179         1.288574663        -3.581126828    
H          1.357116839         1.000224859        -2.801621537    
H          1.419764298         1.555615531        -4.265837176    
O        -0.5618934986         3.084865105         2.172363026    
H         -1.472301442         2.821021589         1.956615613    
H        -0.1285526880         2.253757125         2.458905370    
O        -0.6117990549         3.225419938        -2.088086882    
H        -0.1130936199         2.641121741        -2.678440947    
H        -0.1629963996E-01     3.449657716        -1.347697670    
O         0.8799478490         3.818146040        0.1395119790    
H         0.3057797842         3.523567922        0.9080230065    
H         0.9933290804         4.762204420        0.2517049433    
O         -3.256416286       -0.4626963519         2.223105791    
H         -2.505205833       -0.7766860771         2.773005558    
H         -3.290210414        -1.053102384         1.454041943    
O         -2.051073090         1.373071568       -0.8845988112    
H         -1.635010034         2.134638939        -1.355616646    
H         -2.466072941         1.721814050       -0.7440415216E-01
O         -1.047499654        -1.276210081         3.529208616    
H        -0.4816706282       -0.5020654288         3.355298065    
H        -0.5552012745        -2.025933511         3.165501033    
O         0.6313282264        -3.148414680         2.269495495    
H          1.459624199        -2.679517991         1.982797067    
H         0.9131537953        -3.987659098         2.632676651    
O        -0.6717701977        -2.620761775       -0.2338921108E-01
H         -1.640792259        -2.589275480        0.7797981944E-01
H        -0.2934098476        -2.912896799        0.8274853081    
O          2.943184317        -2.095807582        -1.410408588    
H          2.088555806        -2.464984008        -1.773902703    
H          3.644591639        -2.652522024        -1.747237378    
O          2.123385835        0.4706604897        -1.488782772    
H          2.564192473       -0.3956313868        -1.535312729    
H          1.340039745        0.3165496295       -0.8974352382    
O        -0.7118661159       -0.9559524937        -3.715203680    
H        -0.9908711415        -1.039413525        -4.627600098    
H        -0.2351988340       -0.1021362616        -3.643385091    
O         -3.326463953        -2.178185686        0.5302621977E-02
H         -3.274307496        -1.639795800       -0.8334001145    
H         -4.091793701        -2.745578471       -0.8305880172E-01
O          3.264211808        0.6203957277         2.174542925    
H          3.973537979        0.8664071866         2.767221885    
H          3.269725496         1.288185067         1.431984741    
O         -3.038150257         2.037506178         1.534506953    
H         -3.870863092         2.439517003         1.780271517    
H         -3.092358241         1.085564126         1.841204041    
O          2.828717895        -2.005910433         1.381305951    
H          2.990189250        -1.089074950         1.660879480    
H          2.859222350        -2.008672691        0.4099606155    
O         0.1476072637E-01   -0.3288223761E-01   -0.1196958490E-01
H        -0.7696349557        0.4711618415       -0.3371897172    
H        -0.2276932007       -0.9838560347       -0.5179697062E-01
O         0.6625189318        -2.957376758        -2.344859911    
H         0.2155446603        -2.288594205        -2.888654077    
H         0.1430645341        -2.991565238        -1.519828891    
O          3.180025606         2.319856142        0.1886227252    
H          2.403767417         2.907765567        0.2466501728    
H          2.949596587         1.692199876       -0.5212800320    
O         0.5608505360        0.6728000608         2.516762029    
H          1.529865892        0.6455475219         2.572354710    
H         0.3524087258        0.4042915735         1.594412227    
O         -3.052602337       -0.7485467365        -2.170248110    
H         -2.829174008        0.1077362971        -1.753472117    
H         -2.262621963       -0.9773817145        -2.684345935    
    63
Energy=    -106.840136798810    
O         0.8063838342         1.288559196        -3.581141198    
H          1.357122093         1.000208941        -2.801633809    
H          1.419769137         1.555607305        -4.265848825    
O        -0.5618917664         3.084863577         2.172367562    
H         -1.472297873         2.821019458         1.956625000    
H        -0.1285488270         2.253756317         2.458904337    
O        -0.6117883155         3.225400872        -2.088070564    
H        -0.1130779186         2.641110700        -2.678427798    
H        -0.1629047998E-01     3.449645898        -1.347683070    
O         0.8799539822         3.818157947        0.1395248054    
H         0.3057815738         3.523569954        0.9080303265    
H         0.9933245866         4.762217110        0.2517141819    
O         -3.256433093       -0.4626925320         2.223119463    
H         -2.505220662       -0.7766936220         2.773008110    
H         -3.290234131        -1.053095105         1.454040889    
O         -2.051069017         1.373060480       -0.8845752745    
H         -1.635001205         2.134625909        -1.355593416    
H         -2.466073138         1.721800794       -0.7438265979E-01
O         -1.047506806        -1.276206810         3.529195926    
H        -0.4816702944       -0.5020660054         3.355282745    
H        -0.5552170578        -2.025936167         3.165491774    
O         0.6313129842        -3.148422621         2.269491417    
H          1.459604133        -2.679513868         1.982795438    
H         0.9131484170        -3.987645948         2.632715184    
O        -0.6717739578        -2.620769299       -0.2339563756E-01
H         -1.640798326        -2.589275918        0.7797608037E-01
H        -0.2934198003        -2.912905806        0.8274707054    
O          2.943183786        -2.095804629        -1.410409036    
H          2.088556798        -2.464982079        -1.773905978    
H          3.644590126        -2.652516457        -1.747240976    
O          2.123393186        0.4706768693        -1.488791082    
H          2.564202683       -0.3956146853        -1.535330192    
H          1.340044900        0.3165534865       -0.8974475565    
O        -0.7118659322       -0.9559581631        -3.715203737    
H        -0.9908675008        -1.039428209        -4.627599450    
H        -0.2351905597       -0.1021482348        -3.643391510    
O         -3.326469784        -2.178185910        0.5298683201E-02
H         -3.274313404        -1.639793194       -0.8334010674    
H         -4.091800224        -2.745577814       -0.8307062141E-01
O          3.264211625        0.6204089187         2.174537727    
H          3.973552632        0.8664071788         2.767204329    
H          3.269717989         1.288198396         1.431979806    
O         -3.038149558         2.037505794         1.534524578    
H         -3.870870458         2.439512322         1.780270793    
H         -3.092360274         1.085566501         1.841226070    
O          2.828702416        -2.005892790         1.381311507    
H          2.990167708        -1.089054883         1.660874530    
H          2.859215944        -2.008661325        0.4099640421    
O         0.1478225750E-01   -0.3289063801E-01   -0.1197593255E-01
H        -0.7696169927        0.4711507159       -0.3371831827    
H        -0.2276688507       -0.9838653036       -0.5180821924E-01
O         0.6625211864        -2.957381509        -2.344868851    
H         0.2155396512        -2.288603836        -2.888660583    
H         0.1430691867        -2.991571476        -1.519837954    
O          3.180025697         2.319868650        0.1886137102    
H          2.403766773         2.907777565        0.2466478077    
H          2.949593429         1.692212696       -0.5212866087    
O         0.5608503497        0.6728004367         2.516756341    
H          1.529872088        0.6455551549         2.572357439    
H         0.3524208926        0.4042881125         1.594405422    
O         -3.052600409       -0.7485389151        -2.170243450    
H         -2.829161783        0.1077404258        -1.753461615    
H         -2.262622544       -0.9773763235        -2.684347394    
    63
Energy=    -106.840136800470    
O         0.7976439801        0.7862323522        -3.962183552    
H          1.314856741        0.7341854201        -3.124206414    
H          1.090647118         1.564723237        -4.434441699    
O        -0.6064808021         3.075083044         2.373725749    
H         -1.491867289         2.818481713         2.061343428    
H        -0.1685197902         2.225005055         2.590387065    
O        -0.1775765381         3.123298683        -1.864709446    
H         0.4521559571         2.472004084        -2.184822351    
H         0.2052908425         3.478038727        -1.037506634    
O         0.9149970393         3.952688497        0.4745074959    
H         0.3164409177         3.616381123         1.209805315    
H          1.023322059         4.890354093        0.6321438704    
O         -3.233452873       -0.4122312278         2.174526534    
H         -2.496496041       -0.7407746399         2.734647308    
H         -3.281885971        -1.015988179         1.416107744    
O         -2.050444773         1.436199088       -0.9891088323    
H         -1.507644326         2.156400250        -1.377851069    
H         -2.454581178         1.783093371       -0.1714502525    
O         -1.058521527        -1.275895666         3.508636739    
H        -0.4839285315       -0.5081571845         3.335486970    
H        -0.5642073098        -2.032129475         3.162576179    
O         0.6496009646        -3.135727026         2.266191690    
H          1.470901414        -2.663703999         1.964464754    
H         0.9381059613        -3.988967786         2.589374724    
O        -0.6667464098        -2.587578604       -0.1144141567E-01
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O          2.926722364        -1.875117583        -1.440229971    
H          2.098749046        -2.321218400        -1.779105694    
H          3.663660840        -2.363279060        -1.806601208    
O          1.987510520        0.6495664491        -1.597227722    
H          2.497433803       -0.1809996665        -1.597984949    
H          1.220515020        0.4442104585       -0.9998874139    
O        -0.8874708234        -1.298603122        -3.789136868    
H         -1.116409714        -1.535562947        -4.688527189    
H        -0.3449142284       -0.4875539528        -3.847687593    
O         -3.325517397        -2.152606560       -0.7217605454E-02
H         -3.291306851        -1.614882390       -0.8483330676    
H         -4.085035427        -2.729261940       -0.8510815726E-01
O          3.261151621        0.6304599826         2.171755382    
H          3.966145946        0.8890980254         2.764237319    
H          3.260747283         1.291732181         1.423866665    
O         -3.000141566         2.072703395         1.452414676    
H         -3.837798092         2.472151784         1.685867944    
H         -3.056999689         1.121317935         1.764375385    
O          2.825655962        -1.978598759         1.341657305    
H          2.994654521        -1.075504559         1.657926477    
H          2.840199897        -1.931894657        0.3702211028    
O        -0.2858074953E-01    0.5437388496E-02   -0.4369415252E-01
H        -0.8258435228        0.4802400042       -0.3776707351    
H        -0.2401944328       -0.9540825558       -0.7369963767E-01
O         0.7236531919        -2.993448573        -2.289144011    
H         0.2021436436        -2.431314509        -2.886430371    
H         0.2076662891        -3.009903211        -1.461997223    
O          3.131919705         2.346447582        0.2032639160    
H          2.395189777         2.963945141        0.3628570382    
H          2.832384036         1.783295247       -0.5355022414    
O         0.5540815441        0.6656082104         2.496191618    
H          1.523530074        0.6375637469         2.545557784    
H         0.3367406514        0.4237910612         1.569209485    
O         -3.111652811       -0.7409516261        -2.196608236    
H         -2.846442189        0.1254470551        -1.836693370    
H         -2.356837788        -1.030276479        -2.735201113    
