    63
Energy=    -106.840664604000    
O         0.5904432709         1.153737052        -3.531744071    
H         0.1491306993         1.905971613        -3.110644457    
H          1.313240346        0.9128328497        -2.915856810    
O        -0.5454615273         3.076922512         2.136058000    
H         -1.447967491         2.809792117         1.890350127    
H        -0.1084798203         2.237199941         2.399540546    
O        -0.4283256043         3.350884246        -2.071581942    
H        -0.5108813075         4.185794740        -2.532259487    
H         0.1282700691         3.514091744        -1.275619537    
O         0.9254465902         3.879395362        0.1766543447    
H         0.3400230554         3.553055734        0.9308599634    
H          1.155348820         4.781448179        0.4009944016    
O         -3.233489194       -0.4174890444         2.145243065    
H         -2.491965654       -0.7296451455         2.710878397    
H         -3.275891155        -1.032095324         1.394927780    
O         -2.019193598         1.383231232        -1.025001529    
H         -1.572477147         2.135127973        -1.443467189    
H         -2.418520178         1.704962285       -0.1924458255    
O         -1.058990228        -1.220686670         3.500460085    
H        -0.4788941717       -0.4637820720         3.299468955    
H        -0.5729109991        -1.992431147         3.176017739    
O         0.6139139285        -3.144011687         2.327784996    
H          1.448600325        -2.692712213         2.028302542    
H         0.8846924290        -3.988775212         2.686576401    
O        -0.6677850058        -2.664227498        0.1195362722E-01
H         -1.637354693        -2.618376616        0.9717608549E-01
H        -0.3020361767        -2.930126523        0.8767961614    
O          3.005024649        -2.175992473        -1.345854457    
H          2.147171903        -2.531934219        -1.715756491    
H          3.702795045        -2.715047620        -1.716991862    
O          2.207972898        0.4081917252        -1.522300193    
H          2.663319295       -0.4498584820        -1.545647936    
H          1.411167780        0.2465809156       -0.9635348686    
O        -0.7088019860        -1.122801863        -3.652526349    
H        -0.8220865068        -1.293485155        -4.587673763    
H        -0.2478340697       -0.2413423603        -3.590777062    
O         -3.319317153        -2.181519904       -0.1722834098E-01
H         -3.258166374        -1.669259695       -0.8728287086    
H         -4.071021966        -2.766812312       -0.1058117679    
O          3.273384373        0.5944140310         2.146343678    
H          3.998578949        0.8310639839         2.723365585    
H          3.289002774         1.244464705         1.387844273    
O         -2.987479956         2.044276634         1.387368098    
H         -3.827058730         2.446337337         1.609168381    
H         -3.046434486         1.096489746         1.719021738    
O          2.827892908        -2.054095047         1.424500705    
H          2.994326150        -1.130667081         1.676740205    
H          2.882630435        -2.086719618        0.4535515536    
O         0.2643335645E-01   -0.8543586852E-01   -0.8319026740E-01
H        -0.7410318511        0.4019434341       -0.4506332243    
H        -0.2121678682        -1.039129041       -0.9569820719E-01
O         0.7242504786        -3.034926936        -2.282664511    
H         0.2711562538        -2.367535666        -2.829383252    
H         0.1981207591        -3.072784312        -1.464327132    
O          3.198450346         2.267765569        0.1407159779    
H          2.427438606         2.857235657        0.1970054064    
H          2.972397772         1.635613620       -0.5725730450    
O         0.5701460357        0.6745529857         2.426564427    
H          1.538173559        0.6342782813         2.497227825    
H         0.3689944120        0.3848348821         1.508180133    
O         -3.051517182       -0.8155209825        -2.230295882    
H         -2.827375415        0.5660511285E-01    -1.860821592    
H         -2.260509671        -1.069110812        -2.738991963    
    63
Energy=    -106.840664601890    
O         0.5904169073         1.153758298        -3.531774220    
H         0.1490888888         1.905977403        -3.110660984    
H          1.313238436        0.9128797383        -2.915905403    
O        -0.5454814915         3.076957185         2.136088814    
H         -1.447978825         2.809816835         1.890341391    
H        -0.1085252220         2.237234440         2.399593296    
O        -0.4283611272         3.350947008        -2.071624198    
H        -0.5108607447         4.185892901        -2.532248162    
H         0.1282061513         3.514084651        -1.275627630    
O         0.9254351862         3.879298977        0.1766383087    
H         0.3400158289         3.552990670        0.9308618817    
H          1.155360203         4.781347018        0.4009757251    
O         -3.233450663       -0.4174622996         2.145248174    
H         -2.491926222       -0.7296237479         2.710873118    
H         -3.275910428        -1.032126623         1.394978558    
O         -2.019261698         1.383278581        -1.025120823    
H         -1.572606322         2.135188257        -1.443629658    
H         -2.418552181         1.705010810       -0.1925511872    
O         -1.058977967        -1.220712068         3.500474494    
H        -0.4788850965       -0.4638061676         3.299478904    
H        -0.5728805439        -1.992467668         3.176099252    
O         0.6140337866        -3.144031985         2.327853896    
H          1.448720999        -2.692737824         2.028358533    
H         0.8848056605        -3.988851612         2.686517661    
O        -0.6677434226        -2.664186127        0.1206613822E-01
H         -1.637314296        -2.618366786        0.9729300692E-01
H        -0.3019637790        -2.930099224        0.8768957922    
O          3.004981022        -2.176006285        -1.345818335    
H          2.147128004        -2.531939163        -1.715717232    
H          3.702743607        -2.715050561        -1.716987844    
O          2.208004708        0.4082217634        -1.522335771    
H          2.663346713       -0.4498290187        -1.545662981    
H          1.411168447        0.2466458814       -0.9636096731    
O        -0.7088171623        -1.122778457        -3.652613822    
H        -0.8221473308        -1.293406723        -4.587765994    
H        -0.2478431512       -0.2413272412        -3.590843554    
O         -3.319295193        -2.181541652       -0.1721833425E-01
H         -3.258160105        -1.669267943       -0.8728082587    
H         -4.070975699        -2.766860012       -0.1058294074    
O          3.273378490        0.5943536657         2.146429517    
H          3.998562765        0.8309765096         2.723474073    
H          3.289042184         1.244401869         1.387928610    
O         -2.987424115         2.044313085         1.387344799    
H         -3.827013716         2.446353137         1.609141482    
H         -3.046368176         1.096521251         1.718975118    
O          2.828009329        -2.054142944         1.424540386    
H          2.994419583        -1.130720873         1.676814554    
H          2.882645460        -2.086710783        0.4535844514    
O         0.2639371217E-01   -0.8535347210E-01   -0.8324487737E-01
H        -0.7410765443        0.4020039965       -0.4507059063    
H        -0.2122000978        -1.039049443       -0.9571106537E-01
O         0.7241977849        -3.034925850        -2.282652561    
H         0.2711453148        -2.367559775        -2.829425797    
H         0.1980749317        -3.072648443        -1.464303937    
O          3.198458369         2.267667489        0.1407874707    
H          2.427433370         2.857119586        0.1970435243    
H          2.972447824         1.635533736       -0.5725324658    
O         0.5700872822        0.6745802848         2.426560369    
H          1.538111308        0.6342745812         2.497218237    
H         0.3689217205        0.3848789847         1.508170856    
O         -3.051533313       -0.8155856270        -2.230297627    
H         -2.827449451        0.5658814191E-01    -1.860908458    
H         -2.260528791        -1.069162733        -2.739004746    
    63
Energy=    -106.840664601170    
O         0.5904170715         1.153764802        -3.531777835    
H         0.1490895373         1.905982721        -3.110659257    
H          1.313244703        0.9128859497        -2.915912631    
O        -0.5454781443         3.076960624         2.136089648    
H         -1.447984813         2.809819604         1.890336581    
H        -0.1085286779         2.237241935         2.399591748    
O        -0.4283667165         3.350947844        -2.071627960    
H        -0.5108678756         4.185899495        -2.532242830    
H         0.1282045513         3.514080113        -1.275632250    
O         0.9254345109         3.879291668        0.1766326481    
H         0.3400134792         3.552984773        0.9308558422    
H          1.155363517         4.781339332        0.4009672455    
O         -3.233446688       -0.4174603237         2.145250967    
H         -2.491925806       -0.7296238816         2.710874610    
H         -3.275914308        -1.032132202         1.394980734    
O         -2.019269706         1.383284547        -1.025127937    
H         -1.572615193         2.135192083        -1.443638672    
H         -2.418555434         1.705012806       -0.1925595136    
O         -1.058975119        -1.220716580         3.500473070    
H        -0.4788870896       -0.4638068418         3.299477820    
H        -0.5728779791        -1.992467055         3.176104760    
O         0.6140443185        -3.144032799         2.327858098    
H          1.448731195        -2.692739874         2.028363206    
H         0.8848133191        -3.988858029         2.686510862    
O        -0.6677389033        -2.664183476        0.1207516507E-01
H         -1.637310996        -2.618366494        0.9730286430E-01
H        -0.3019596856        -2.930095963        0.8769042196    
O          3.004978478        -2.176007989        -1.345814667    
H          2.147124058        -2.531937029        -1.715712688    
H          3.702738722        -2.715057855        -1.716982346    
O          2.208007460        0.4082215245        -1.522338110    
H          2.663346104       -0.4498258372        -1.545664256    
H          1.411171231        0.2466497425       -0.9636135488    
O        -0.7088152802        -1.122771839        -3.652618002    
H        -0.8221484703        -1.293397391        -4.587770048    
H        -0.2478419691       -0.2413196891        -3.590847963    
O         -3.319294565        -2.181542406       -0.1721846230E-01
H         -3.258160385        -1.669268159       -0.8728071192    
H         -4.070970915        -2.766866407       -0.1058324196    
O          3.273377315        0.5943483436         2.146435583    
H          3.998567134        0.8309636659         2.723477297    
H          3.289041925         1.244397368         1.387936143    
O         -2.987420934         2.044313427         1.387347301    
H         -3.827010953         2.446352806         1.609142926    
H         -3.046365330         1.096520385         1.718973673    
O          2.828018780        -2.054145301         1.424545073    
H          2.994426087        -1.130725923         1.676821225    
H          2.882648827        -2.086712402        0.4535873689    
O         0.2639325712E-01   -0.8534807679E-01   -0.8325018230E-01
H        -0.7410808015        0.4020061180       -0.4507124523    
H        -0.2122039678        -1.039045248       -0.9571154835E-01
O         0.7241900368        -3.034922225        -2.282650994    
H         0.2711444617        -2.367557625        -2.829426243    
H         0.1980695249        -3.072641554        -1.464298903    
O          3.198458974         2.267661523        0.1407932519    
H          2.427433670         2.857110607        0.1970481043    
H          2.972451159         1.635527181       -0.5725292303    
O         0.5700832125        0.6745834950         2.426558662    
H          1.538103500        0.6342747068         2.497218696    
H         0.3689162723        0.3848822407         1.508165011    
O         -3.051534515       -0.8155889068        -2.230295495    
H         -2.827455468        0.5658726323E-01    -1.860912047    
H         -2.260528599        -1.069165712        -2.739005312    
    63
Energy=    -106.840664593120    
O         0.5904119427         1.153848114        -3.531964732    
H         0.1490561245         1.906002515        -3.110765132    
H          1.313249228        0.9129554551        -2.916122058    
O        -0.5454936656         3.077000191         2.136213924    
H         -1.447968586         2.809911373         1.890350242    
H        -0.1085888807         2.237243437         2.399704070    
O        -0.4283380099         3.350939751        -2.071674849    
H        -0.5104929202         4.185959787        -2.532228074    
H         0.1282379049         3.513808296        -1.275618277    
O         0.9253964344         3.879059594        0.1766507097    
H         0.3399492461         3.552884953        0.9309199068    
H          1.155219969         4.781185344        0.4007826267    
O         -3.233344992       -0.4174032688         2.145269145    
H         -2.491869831       -0.7296264134         2.710905868    
H         -3.275839315        -1.032062930         1.394997734    
O         -2.019447112         1.383340116        -1.025426351    
H         -1.572790496         2.135256115        -1.443920476    
H         -2.418644759         1.705042993       -0.1927995446    
O         -1.058925838        -1.220818977         3.500533188    
H        -0.4789149639       -0.4638645518         3.299485600    
H        -0.5727471289        -1.992539684         3.176164051    
O         0.6142958320        -3.144045140         2.327935727    
H          1.449009985        -2.692773755         2.028488840    
H         0.8849942027        -3.989020133         2.686289706    
O        -0.6676485363        -2.663980483        0.1229332752E-01
H         -1.637219082        -2.618252434        0.9752225221E-01
H        -0.3017889999        -2.929855316        0.8771056785    
O          3.004854739        -2.175931231        -1.345823999    
H          2.146974636        -2.531848622        -1.715670418    
H          3.702561171        -2.715102206        -1.716908898    
O          2.207908944        0.4082776906        -1.522438470    
H          2.663165384       -0.4498085209        -1.545822285    
H          1.411093158        0.2467659516       -0.9636725033    
O        -0.7088665244        -1.122694778        -3.652742960    
H        -0.8223893630        -1.293237347        -4.587887569    
H        -0.2478776542       -0.2412453284        -3.590980066    
O         -3.319242446        -2.181539131       -0.1715116202E-01
H         -3.258147412        -1.669335185       -0.8727888830    
H         -4.070778001        -2.767042517       -0.1057770727    
O          3.273308696        0.5942528551         2.146709219    
H          3.998525022        0.8308814134         2.723712882    
H          3.288980100         1.244241284         1.388163289    
O         -2.987330805         2.044326354         1.387184670    
H         -3.826918455         2.446355579         1.609022483    
H         -3.046223950         1.096567149         1.718905849    
O          2.828301748        -2.054216260         1.424607740    
H          2.994668787        -1.130798950         1.676970424    
H          2.882833453        -2.086675136        0.4536445568    
O         0.2631568168E-01   -0.8515453893E-01   -0.8333605191E-01
H        -0.7411572692        0.4021193824       -0.4509141508    
H        -0.2122267271        -1.038864168       -0.9567578812E-01
O         0.7240168916        -3.034848788        -2.282577997    
H         0.2709823641        -2.367519433        -2.829402743    
H         0.1978929551        -3.072525245        -1.464225423    
O          3.198456963         2.267477506        0.1409835228    
H          2.427454095         2.856939530        0.1972889523    
H          2.972448755         1.635449063       -0.5724341737    
O         0.5699754250        0.6745544277         2.426533351    
H          1.537979156        0.6341862345         2.497284850    
H         0.3688709491        0.3849935007         1.508078621    
O         -3.051565279       -0.8157094074        -2.230367639    
H         -2.827574845        0.5651422318E-01    -1.861045580    
H         -2.260516994        -1.069242701        -2.739030195    
    63
Energy=    -106.840664573770    
O         0.5904142977         1.154073745        -3.532075146    
H         0.1491080033         1.906302111        -3.110941715    
H          1.313223874        0.9131553674        -2.916217701    
O        -0.5455253974         3.076982539         2.136247468    
H         -1.447993112         2.809830174         1.890404514    
H        -0.1085952337         2.237271204         2.399832341    
O        -0.4283840584         3.350998187        -2.071917530    
H        -0.5102811614         4.186019167        -2.532515829    
H         0.1281543908         3.513748297        -1.275807791    
O         0.9253227484         3.878614828        0.1765145484    
H         0.3398643149         3.552572802        0.9308426961    
H          1.155102653         4.780798148        0.4004490777    
O         -3.233244207       -0.4173742526         2.145232604    
H         -2.491756590       -0.7295944658         2.710869227    
H         -3.275763748        -1.032046258         1.394972578    
O         -2.019605220         1.383374825        -1.025694786    
H         -1.572896349         2.135275072        -1.444154614    
H         -2.418725986         1.705063490       -0.1930183646    
O         -1.058777358        -1.220919205         3.500450864    
H        -0.4788226042       -0.4639513891         3.299242012    
H        -0.5725423188        -1.992647844         3.176234634    
O         0.6146189501        -3.144035709         2.327898632    
H          1.449459900        -2.692892439         2.028538539    
H         0.8850835930        -3.989226126         2.685918250    
O        -0.6675086144        -2.663548865        0.1253590490E-01
H         -1.637073582        -2.617811497        0.9788480171E-01
H        -0.3015737136        -2.929422498        0.8773246530    
O          3.004523700        -2.176008780        -1.345720297    
H          2.146592995        -2.531847173        -1.715546080    
H          3.702179511        -2.715204583        -1.716876508    
O          2.207887952        0.4083497423        -1.522542369    
H          2.663072849       -0.4497913666        -1.545755833    
H          1.410969722        0.2469219450       -0.9638813259    
O        -0.7089421265        -1.122407632        -3.652764086    
H        -0.8222898982        -1.293083927        -4.587903167    
H        -0.2480243756       -0.2409234194        -3.591055988    
O         -3.319034457        -2.181585419       -0.1701352919E-01
H         -3.257974845        -1.669510063       -0.8727345935    
H         -4.070353367        -2.767366451       -0.1056170312    
O          3.273219597        0.5940516086         2.147002843    
H          3.998233537        0.8308644105         2.724183385    
H          3.288924754         1.244040015         1.388437583    
O         -2.987236979         2.044306559         1.387042044    
H         -3.826864775         2.446310009         1.608756981    
H         -3.046132351         1.096546479         1.718770034    
O          2.828755381        -2.054436457         1.424763616    
H          2.994918214        -1.131002855         1.677184385    
H          2.883090027        -2.086793776        0.4537816299    
O         0.2623922231E-01   -0.8476978388E-01   -0.8345136781E-01
H        -0.7412724350        0.4024214660       -0.4510337249    
H        -0.2122145954        -1.038511541       -0.9577150050E-01
O         0.7235943576        -3.034628158        -2.282439960    
H         0.2706079035        -2.367205225        -2.829202884    
H         0.1976200038        -3.072219152        -1.463980561    
O          3.198407461         2.267158803        0.1412599511    
H          2.427376221         2.856615878        0.1974623352    
H          2.972490593         1.635153568       -0.5722061376    
O         0.5699109957        0.6745621514         2.426513220    
H          1.537917671        0.6339887773         2.497320333    
H         0.3687980407        0.3851986083         1.508004418    
O         -3.051544486       -0.8159948409        -2.230317043    
H         -2.827671889        0.5628602259E-01    -1.861055035    
H         -2.260546498        -1.069337244        -2.739154125    
    63
Energy=    -106.840664572240    
O         0.5904427361         1.154074808        -3.532111478    
H         0.1491276407         1.906303983        -3.110985820    
H          1.313250095        0.9131617296        -2.916250951    
O        -0.5455295722         3.076980638         2.136251890    
H         -1.447987202         2.809822558         1.890400381    
H        -0.1085939544         2.237270964         2.399843723    
O        -0.4283804440         3.350975156        -2.071930879    
H        -0.5102682971         4.185989595        -2.532538642    
H         0.1281491444         3.513729869        -1.275812074    
O         0.9253090048         3.878593839        0.1765047225    
H         0.3398553105         3.552551674        0.9308362456    
H          1.155112405         4.780769672        0.4004456587    
O         -3.233233042       -0.4173737084         2.145227303    
H         -2.491737670       -0.7295913801         2.710858367    
H         -3.275767100        -1.032056377         1.394980792    
O         -2.019607965         1.383378120        -1.025696306    
H         -1.572901176         2.135273092        -1.444170300    
H         -2.418728658         1.705079886       -0.1930271477    
O         -1.058769455        -1.220917764         3.500420940    
H        -0.4788027826       -0.4639558934         3.299228016    
H        -0.5725338746        -1.992653508         3.176232817    
O         0.6146296698        -3.144032830         2.327891763    
H          1.449478799        -2.692908628         2.028541666    
H         0.8850985942        -3.989261605         2.685906177    
O        -0.6674960919        -2.663507421        0.1255569202E-01
H         -1.637055738        -2.617788999        0.9791077217E-01
H        -0.3015496415        -2.929396656        0.8773336254    
O          3.004485723        -2.176000421        -1.345704793    
H          2.146546293        -2.531827680        -1.715530347    
H          3.702137209        -2.715189354        -1.716880387    
O          2.207879749        0.4083587266        -1.522555911    
H          2.663054151       -0.4497902273        -1.545764628    
H          1.410965007        0.2469375527       -0.9638822571    
O        -0.7089504885        -1.122369469        -3.652770909    
H        -0.8222443256        -1.293087374        -4.587907448    
H        -0.2480191094       -0.2408972358        -3.591053416    
O         -3.319024695        -2.181613023       -0.1699662824E-01
H         -3.257968310        -1.669528244       -0.8727182771    
H         -4.070327863        -2.767397377       -0.1056002001    
O          3.273212441        0.5940359648         2.147023662    
H          3.998179643        0.8308835262         2.724238636    
H          3.288929243         1.244018030         1.388448924    
O         -2.987236980         2.044309985         1.387038987    
H         -3.826874002         2.446308219         1.608737760    
H         -3.046129879         1.096549121         1.718765510    
O          2.828783699        -2.054459977         1.424775885    
H          2.994944101        -1.131029764         1.677195578    
H          2.883090158        -2.086813925        0.4537873442    
O         0.2624140098E-01   -0.8473460196E-01   -0.8346285083E-01
H        -0.7412737964        0.4024545072       -0.4510374644    
H        -0.2122107437        -1.038484622       -0.9577033152E-01
O         0.7235579476        -3.034594581        -2.282434662    
H         0.2705825276        -2.367162167        -2.829195062    
H         0.1975837485        -3.072176123        -1.463977763    
O          3.198397059         2.267144042        0.1412702686    
H          2.427355396         2.856588876        0.1974794368    
H          2.972487511         1.635138114       -0.5722004190    
O         0.5699201975        0.6745654310         2.426519245    
H          1.537922948        0.6339855236         2.497316231    
H         0.3687948010        0.3852120607         1.507995480    
O         -3.051549245       -0.8160148194        -2.230300369    
H         -2.827686536        0.5627034877E-01    -1.861038548    
H         -2.260554616        -1.069342258        -2.739147748    
    63
Energy=    -106.840664539640    
O         0.5907321695         1.154111339        -3.532338198    
H         0.1493214002         1.906232985        -3.111118467    
H          1.313501048        0.9131060080        -2.916445004    
O        -0.5455683518         3.076880642         2.136280386    
H         -1.448015886         2.809704472         1.890389538    
H        -0.1086093419         2.237184819         2.399895326    
O        -0.4284170207         3.350843848        -2.072221151    
H        -0.5096691235         4.185689352        -2.533250922    
H         0.1280332677         3.513611688        -1.276056597    
O         0.9251206456         3.878464281        0.1764225758    
H         0.3396894394         3.552409266        0.9307641177    
H          1.155176611         4.780521196        0.4005980786    
O         -3.233135136       -0.4173357375         2.145215009    
H         -2.491583185       -0.7295928070         2.710741701    
H         -3.275833395        -1.032063082         1.395019281    
O         -2.019732445         1.383432544        -1.025766018    
H         -1.573175971         2.135288319        -1.444438273    
H         -2.418792312         1.705191706       -0.1930789081    
O         -1.058623367        -1.221024577         3.500216378    
H        -0.4785847186       -0.4640789532         3.299147511    
H        -0.5724022731        -1.992759860         3.176000921    
O         0.6148709259        -3.144219689         2.327848488    
H          1.449754944        -2.693111068         2.028604840    
H         0.8852405221        -3.989579890         2.685530193    
O        -0.6672954811        -2.662915019        0.1277832708E-01
H         -1.636878428        -2.617602200        0.9814998927E-01
H        -0.3012169431        -2.929028885        0.8774380460    
O          3.004065177        -2.175928037        -1.345581314    
H          2.146044520        -2.531623784        -1.715379098    
H          3.701616977        -2.715009939        -1.717080717    
O          2.207915143        0.4084088191        -1.522746922    
H          2.662876619       -0.4498675901        -1.545782436    
H          1.410992037        0.2473452606       -0.9639937850    
O        -0.7089465398        -1.122122512        -3.652728802    
H        -0.8216497310        -1.293190507        -4.587872962    
H        -0.2478880534       -0.2406838872        -3.591097766    
O         -3.319011955        -2.181904470       -0.1678358674E-01
H         -3.258115672        -1.669697968       -0.8724250453    
H         -4.070166505        -2.767888390       -0.1054643570    
O          3.273234123        0.5937406693         2.147160817    
H          3.997485772        0.8313117815         2.724989080    
H          3.288944584         1.243692014         1.388575868    
O         -2.987326542         2.044282407         1.386860624    
H         -3.827047315         2.446194861         1.608396956    
H         -3.046170575         1.096523392         1.718622170    
O          2.829047144        -2.054798364         1.424815334    
H          2.995375836        -1.131417052         1.677284212    
H          2.883098507        -2.087034239        0.4538015215    
O         0.2634366608E-01   -0.8413641224E-01   -0.8339001405E-01
H        -0.7412163545        0.4029102130       -0.4510770900    
H        -0.2121020471        -1.037887368       -0.9538032221E-01
O         0.7232011844        -3.034312348        -2.282443878    
H         0.2702862617        -2.366800899        -2.829182795    
H         0.1972703178        -3.071758864        -1.463948400    
O          3.198250379         2.266929499        0.1414382782    
H          2.427151906         2.856309539        0.1975531090    
H          2.972501502         1.634971042       -0.5721258883    
O         0.5700537974        0.6745635710         2.426616461    
H          1.538082550        0.6339630399         2.497287586    
H         0.3688630219        0.3854196609         1.508050153    
O         -3.051761742       -0.8160260846        -2.229999664    
H         -2.827845056        0.5630057044E-01    -1.860857743    
H         -2.260849430        -1.069380723        -2.738927270    
    63
Energy=    -106.840664535730    
O         0.5907846292         1.154077104        -3.532375233    
H         0.1493624323         1.906201438        -3.111184482    
H          1.313528067        0.9130931414        -2.916445511    
O        -0.5455833828         3.076878283         2.136291654    
H         -1.448041053         2.809708802         1.890415095    
H        -0.1086271699         2.237180453         2.399888711    
O        -0.4283877749         3.350823672        -2.072237523    
H        -0.5095950173         4.185661906        -2.533292849    
H         0.1280471477         3.513571884        -1.276056053    
O         0.9251092342         3.878461911        0.1764349478    
H         0.3396900729         3.552411050        0.9307849551    
H          1.155182974         4.780516393        0.4006035098    
O         -3.233132238       -0.4173301905         2.145206967    
H         -2.491589277       -0.7295909668         2.710744281    
H         -3.275832999        -1.032068221         1.395021679    
O         -2.019733346         1.383446135        -1.025771081    
H         -1.573193728         2.135301417        -1.444459795    
H         -2.418807400         1.705185540       -0.1930766766    
O         -1.058604546        -1.221038404         3.500211112    
H        -0.4785717325       -0.4640889693         3.299137358    
H        -0.5723833766        -1.992767603         3.175983273    
O         0.6148843123        -3.144254083         2.327847776    
H          1.449771714        -2.693126294         2.028622495    
H         0.8852439475        -3.989618586         2.685525973    
O        -0.6672945278        -2.662893411        0.1279641806E-01
H         -1.636876721        -2.617588928        0.9816952410E-01
H        -0.3012076460        -2.929020082        0.8774504070    
O          3.004031803        -2.175909531        -1.345592003    
H          2.146015653        -2.531610595        -1.715393133    
H          3.701591182        -2.714982091        -1.717105701    
O          2.207904578        0.4084293576        -1.522768112    
H          2.662871381       -0.4498569450        -1.545802678    
H          1.410982383        0.2473654693       -0.9640086017    
O        -0.7089576269        -1.122117843        -3.652734966    
H        -0.8216399907        -1.293198887        -4.587877557    
H        -0.2478633459       -0.2406950926        -3.591134076    
O         -3.319032044        -2.181942218       -0.1676825803E-01
H         -3.258142341        -1.669717746       -0.8723995019    
H         -4.070179387        -2.767930296       -0.1054559007    
O          3.273250493        0.5937282901         2.147168445    
H          3.997443365        0.8313609527         2.725035684    
H          3.288941308         1.243675547         1.388580809    
O         -2.987339978         2.044289284         1.386866975    
H         -3.827063083         2.446184216         1.608399961    
H         -3.046177858         1.096530802         1.718627249    
O          2.829057108        -2.054819678         1.424821248    
H          2.995383464        -1.131439264         1.677293185    
H          2.883103399        -2.087034886        0.4538071899    
O         0.2635547816E-01   -0.8410622969E-01   -0.8338815072E-01
H        -0.7412167549        0.4029349535       -0.4510701114    
H        -0.2120940053        -1.037856766       -0.9537840009E-01
O         0.7231767145        -3.034288422        -2.282452634    
H         0.2702685272        -2.366769300        -2.829188530    
H         0.1972605552        -3.071724879        -1.463951168    
O          3.198253971         2.266943593        0.1414435481    
H          2.427143302         2.856302767        0.1975688954    
H          2.972511851         1.634983261       -0.5721242733    
O         0.5700607852        0.6745680766         2.426627782    
H          1.538089941        0.6339639079         2.497287453    
H         0.3688700562        0.3854603708         1.508051384    
O         -3.051771780       -0.8160278110        -2.229971402    
H         -2.827858201        0.5628999373E-01    -1.860825593    
H         -2.260862393        -1.069358152        -2.738916506    
    63
Energy=    -106.840664498830    
O         0.5910099487         1.154083863        -3.532510969    
H         0.1495539285         1.906090494        -3.111131306    
H          1.313870307        0.9131138636        -2.916712301    
O        -0.5457707221         3.076846369         2.136189563    
H         -1.448259272         2.809658106         1.890482716    
H        -0.1087583370         2.237200525         2.399831175    
O        -0.4282230763         3.350721745        -2.072461160    
H        -0.5088925318         4.185427803        -2.533850483    
H         0.1281326339         3.513527564        -1.276252924    
O         0.9250965865         3.878462828        0.1763434716    
H         0.3395808455         3.552502961        0.9306415115    
H          1.155234086         4.780513205        0.4004493038    
O         -3.233158843       -0.4174009993         2.145224292    
H         -2.491645856       -0.7296495064         2.710788428    
H         -3.275861742        -1.032248894         1.395127004    
O         -2.019877698         1.383624643        -1.025850557    
H         -1.573539117         2.135568791        -1.444553279    
H         -2.419021355         1.705302590       -0.1931744681    
O         -1.058572460        -1.221185042         3.499920863    
H        -0.4784773547       -0.4642002224         3.299213099    
H        -0.5721620688        -1.992889221         3.175901244    
O         0.6150158350        -3.144537177         2.327954985    
H          1.449957602        -2.693575160         2.028709384    
H         0.8852720977        -3.990054017         2.685346480    
O        -0.6673091993        -2.662530951        0.1295339206E-01
H         -1.636887784        -2.617313378        0.9835999517E-01
H        -0.3012108516        -2.928941933        0.8775056349    
O          3.003893126        -2.175981954        -1.345808042    
H          2.145916599        -2.531722156        -1.715659003    
H          3.701528438        -2.714905562        -1.717394773    
O          2.208083824        0.4085146371        -1.522771252    
H          2.662896166       -0.4498412079        -1.545920623    
H          1.411097617        0.2474808777       -0.9640969395    
O        -0.7090303241        -1.121996710        -3.652724352    
H        -0.8216246428        -1.293204407        -4.587855601    
H        -0.2477889101       -0.2406442930        -3.591159193    
O         -3.319306201        -2.182144206       -0.1665544908E-01
H         -3.258397985        -1.669951469       -0.8722858016    
H         -4.070291293        -2.768323535       -0.1054770640    
O          3.273379062        0.5936938072         2.147220829    
H          3.997097202        0.8319766480         2.725413569    
H          3.289030158         1.243563638         1.388565936    
O         -2.987573875         2.044274292         1.386831204    
H         -3.827365240         2.446082764         1.608251479    
H         -3.046264739         1.096537552         1.718666032    
O          2.829273435        -2.055138628         1.424888807    
H          2.995535990        -1.131771525         1.677411654    
H          2.883194216        -2.087235749        0.4538674105    
O         0.2644474613E-01   -0.8374642922E-01   -0.8331974951E-01
H        -0.7411408687        0.4033086550       -0.4509263563    
H        -0.2120018943        -1.037496351       -0.9539211813E-01
O         0.7229350148        -3.034288030        -2.282463136    
H         0.2701166258        -2.366656514        -2.829144718    
H         0.1971291927        -3.071595948        -1.463874604    
O          3.198211703         2.267047889        0.1416153379    
H          2.426989784         2.856282297        0.1977069617    
H          2.972648355         1.635185849       -0.5720887034    
O         0.5702778973        0.6747243341         2.426879502    
H          1.538303894        0.6338230251         2.497582859    
H         0.3690530301        0.3857509198         1.508279560    
O         -3.051843743       -0.8160689168        -2.229789078    
H         -2.828067244        0.5621829669E-01    -1.860466429    
H         -2.260923613        -1.069113140        -2.738843768    
    63
Energy=    -106.840664424440    
O         0.5913215001         1.153985780        -3.532685562    
H         0.1496741188         1.905890317        -3.111334897    
H          1.314053361        0.9129805739        -2.916754701    
O        -0.5459944566         3.076987476         2.136175780    
H         -1.448423312         2.809687298         1.890395390    
H        -0.1089097931         2.237488672         2.400103079    
O        -0.4279643450         3.350862045        -2.072756828    
H        -0.5076531693         4.185392831        -2.534642771    
H         0.1282490974         3.513609861        -1.276429825    
O         0.9249079477         3.878417548        0.1762355615    
H         0.3393397218         3.552524947        0.9305032270    
H          1.155168308         4.780453716        0.4003116512    
O         -3.233211678       -0.4175670162         2.145332150    
H         -2.491541922       -0.7298082274         2.710707728    
H         -3.276201838        -1.032436756         1.395268589    
O         -2.020141194         1.383911538        -1.025746621    
H         -1.573775622         2.135739885        -1.444573898    
H         -2.419225301         1.705819996       -0.1931357470    
O         -1.058379844        -1.221346890         3.499874926    
H        -0.4783634087       -0.4643336270         3.299022165    
H        -0.5719702857        -1.993077913         3.175929933    
O         0.6151712162        -3.145104860         2.327905143    
H          1.450159485        -2.694242192         2.028711367    
H         0.8851421439        -3.990716928         2.685328803    
O        -0.6674635226        -2.662146696        0.1307687012E-01
H         -1.637041816        -2.616960731        0.9851952053E-01
H        -0.3013642589        -2.928667830        0.8775897646    
O          3.004024720        -2.176106263        -1.346058170    
H          2.146043307        -2.531772413        -1.715911921    
H          3.701660525        -2.714776656        -1.717987864    
O          2.208431409        0.4085891283        -1.522716762    
H          2.663147649       -0.4498356168        -1.545763340    
H          1.411472824        0.2477434124       -0.9639853397    
O        -0.7092354169        -1.121874340        -3.652780189    
H        -0.8219904376        -1.293210157        -4.587881801    
H        -0.2478614293       -0.2405748162        -3.591388276    
O         -3.319461440        -2.182490886       -0.1665608795E-01
H         -3.258543102        -1.670287254       -0.8722749939    
H         -4.070465828        -2.768718338       -0.1054149391    
O          3.273557028        0.5938014965         2.147290861    
H          3.996798380        0.8327252854         2.725815816    
H          3.289061197         1.243637592         1.388616430    
O         -2.987934124         2.044243648         1.386924578    
H         -3.827813031         2.445938496         1.608195309    
H         -3.046624244         1.096462026         1.718594911    
O          2.829469631        -2.055385579         1.424849196    
H          2.995855514        -1.132109479         1.677590444    
H          2.883277352        -2.087418635        0.4538277716    
O         0.2654007292E-01   -0.8334267886E-01   -0.8328060877E-01
H        -0.7409867302        0.4037393022       -0.4509283778    
H        -0.2119950997        -1.037069725       -0.9537302593E-01
O         0.7226198082        -3.034387366        -2.282390732    
H         0.2697037830        -2.366882117        -2.829131893    
H         0.1968980475        -3.071532361        -1.463733598    
O          3.198305055         2.267247703        0.1416811575    
H          2.426986595         2.856327298        0.1979152607    
H          2.972828240         1.635368404       -0.5720464763    
O         0.5704335320        0.6747035453         2.427131360    
H          1.538481178        0.6339618889         2.497829268    
H         0.3692966447        0.3857871020         1.508504375    
O         -3.051902587       -0.8160860234        -2.229621802    
H         -2.828134898        0.5613436931E-01    -1.860147964    
H         -2.260994155        -1.069135208        -2.738713892    
    63
Energy=    -106.840664386280    
O         0.5915764699         1.153988086        -3.532759336    
H         0.1499822640         1.906053979        -3.111543673    
H          1.314217962        0.9130668587        -2.916728826    
O        -0.5460921653         3.077092030         2.136021607    
H         -1.448486379         2.809699857         1.890229943    
H        -0.1090005741         2.237644133         2.400027136    
O        -0.4279977632         3.350810584        -2.072993479    
H        -0.5076015193         4.185390395        -2.534796242    
H         0.1281747530         3.513494501        -1.276652516    
O         0.9249076494         3.878365388        0.1760755105    
H         0.3393133146         3.552552432        0.9303517384    
H          1.155137348         4.780408022        0.4000959810    
O         -3.233282589       -0.4176881325         2.145318066    
H         -2.491569322       -0.7299311645         2.710614995    
H         -3.276465551        -1.032616616         1.395332746    
O         -2.020112510         1.384071083        -1.025581873    
H         -1.573768640         2.135873340        -1.444539787    
H         -2.419315865         1.705920727       -0.1929783209    
O         -1.058211923        -1.221382703         3.499824695    
H        -0.4782346315       -0.4643843653         3.298767418    
H        -0.5718473045        -1.993150347         3.175920379    
O         0.6150945266        -3.145456516         2.327887275    
H          1.450177872        -2.694642471         2.028816683    
H         0.8850901471        -3.991020529         2.685376003    
O        -0.6675443159        -2.661856838        0.1324654615E-01
H         -1.637147484        -2.616898493        0.9861111641E-01
H        -0.3014505448        -2.928546311        0.8776899470    
O          3.004067621        -2.176188988        -1.346112982    
H          2.146014307        -2.531802329        -1.715800026    
H          3.701651690        -2.714857618        -1.718165409    
O          2.208669432        0.4085333924        -1.522706927    
H          2.663289661       -0.4499333407        -1.545734791    
H          1.411689227        0.2477772970       -0.9639753831    
O        -0.7093169878        -1.121635644        -3.652788287    
H        -0.8221776455        -1.292927039        -4.587864602    
H        -0.2476835363       -0.2404962472        -3.591470442    
O         -3.319620003        -2.182664895       -0.1660405632E-01
H         -3.258586249        -1.670505714       -0.8722467691    
H         -4.070498826        -2.768934326       -0.1054949639    
O          3.273593843        0.5938001342         2.147314388    
H          3.996762492        0.8328305535         2.725893949    
H          3.289112395         1.243671920         1.388669033    
O         -2.988209309         2.044164837         1.387121193    
H         -3.828119000         2.445805731         1.608462553    
H         -3.046860442         1.096383400         1.718739905    
O          2.829508526        -2.055575133         1.424892618    
H          2.995964946        -1.132299100         1.677518509    
H          2.883412525        -2.087476880        0.4538817979    
O         0.2661409320E-01   -0.8320575531E-01   -0.8337662082E-01
H        -0.7409636253        0.4038886702       -0.4509633842    
H        -0.2120205344        -1.036898267       -0.9532341572E-01
O         0.7225210096        -3.034229710        -2.282273861    
H         0.2695544720        -2.366805605        -2.829051939    
H         0.1967893783        -3.071438878        -1.463636654    
O          3.198382475         2.267278861        0.1417446121    
H          2.427064770         2.856363888        0.1978864824    
H          2.972968371         1.635456213       -0.5720272716    
O         0.5704325962        0.6749709104         2.427063846    
H          1.538461201        0.6341138232         2.497837354    
H         0.3693235940        0.3858419693         1.508491273    
O         -3.051834109       -0.8161545762        -2.229440458    
H         -2.828082110        0.5610209822E-01    -1.860041571    
H         -2.260908369        -1.069052981        -2.738541949    
    63
Energy=    -106.840664348200    
O         0.5917471652         1.153961272        -3.532813850    
H         0.1502673403         1.906145502        -3.111806946    
H          1.314357514        0.9130211853        -2.916686261    
O        -0.5461783492         3.077149544         2.135910011    
H         -1.448580439         2.809700838         1.890176445    
H        -0.1090446813         2.237708593         2.399996196    
O        -0.4279721497         3.350824229        -2.073220155    
H        -0.5075534574         4.185445132        -2.534959928    
H         0.1279976662         3.513385256        -1.276720050    
O         0.9249783521         3.878315844        0.1760483971    
H         0.3393738671         3.552507856        0.9303075967    
H          1.155063062         4.780436568        0.3999657633    
O         -3.233378204       -0.4178276898         2.145316868    
H         -2.491581161       -0.7299980148         2.710507498    
H         -3.276615470        -1.032744981         1.395323019    
O         -2.020014663         1.384140729        -1.025460811    
H         -1.573787372         2.135950874        -1.444474642    
H         -2.419310153         1.705950281       -0.1928965777    
O         -1.058073368        -1.221408882         3.499734455    
H        -0.4781002629       -0.4644228516         3.298618764    
H        -0.5717656785        -1.993258933         3.175959337    
O         0.6150897543        -3.145735219         2.327904295    
H          1.450122642        -2.694858478         2.028828579    
H         0.8849456221        -3.991303373         2.685488191    
O        -0.6675443045        -2.661568356        0.1339022328E-01
H         -1.637167210        -2.616891061        0.9859775522E-01
H        -0.3014885357        -2.928483358        0.8777805971    
O          3.004121463        -2.176169789        -1.346180617    
H          2.145983791        -2.531831119        -1.715641644    
H          3.701596965        -2.714884638        -1.718345721    
O          2.208740251        0.4085017985        -1.522689076    
H          2.663381715       -0.4499546559        -1.545736525    
H          1.411794256        0.2477450073       -0.9638928597    
O        -0.7093684310        -1.121489533        -3.652850259    
H        -0.8224201499        -1.292719987        -4.587922868    
H        -0.2475178186       -0.2404407995        -3.591543042    
O         -3.319810198        -2.182721282       -0.1654294940E-01
H         -3.258620401        -1.670600925       -0.8722175800    
H         -4.070562756        -2.769142459       -0.1055382118    
O          3.273620576        0.5938364932         2.147372174    
H          3.996727525        0.8329189175         2.726004889    
H          3.289155635         1.243690824         1.388702498    
O         -2.988434805         2.044145772         1.387242413    
H         -3.828357619         2.445716755         1.608697778    
H         -3.046995466         1.096383857         1.718892707    
O          2.829554571        -2.055651286         1.424876750    
H          2.996049528        -1.132387021         1.677556043    
H          2.883494672        -2.087605745        0.4538553777    
O         0.2669559643E-01   -0.8310095621E-01   -0.8347542329E-01
H        -0.7409076657        0.4040092032       -0.4509456674    
H        -0.2120316976        -1.036787267       -0.9527479894E-01
O         0.7224407194        -3.034159532        -2.282195186    
H         0.2694683493        -2.366732638        -2.828968547    
H         0.1967338846        -3.071329888        -1.463549820    
O          3.198415485         2.267291649        0.1417829278    
H          2.427128694         2.856435790        0.1978105142    
H          2.973134541         1.635470938       -0.5720376606    
O         0.5704056908        0.6751868797         2.426948726    
H          1.538440829        0.6342248023         2.497764165    
H         0.3693045565        0.3859662239         1.508402064    
O         -3.051712684       -0.8162206090        -2.229231619    
H         -2.828080584        0.5611716475E-01    -1.859973449    
H         -2.260845441        -1.069096848        -2.738460788    
    63
Energy=    -106.840664167750    
O         0.5917395607         1.153290367        -3.532508940    
H         0.1504926567         1.905610982        -3.111431552    
H          1.314429996        0.9122733164        -2.916543567    
O        -0.5467980425         3.077057806         2.135806642    
H         -1.449203045         2.809444394         1.890294144    
H        -0.1094673124         2.237758199         2.400007434    
O        -0.4271378100         3.350719006        -2.073859523    
H        -0.5035441599         4.184742074        -2.537240885    
H         0.1284810976         3.512996877        -1.277022038    
O         0.9246764214         3.878312985        0.1761132450    
H         0.3391594043         3.552238895        0.9303076012    
H          1.153881223         4.780669848        0.3999456759    
O         -3.233575307       -0.4183359486         2.145392400    
H         -2.491504116       -0.7304973088         2.710220455    
H         -3.276976050        -1.033195038         1.395347388    
O         -2.019802677         1.384712050        -1.025509633    
H         -1.573856964         2.136742439        -1.444405337    
H         -2.419191209         1.706276020       -0.1929357091    
O         -1.057735302        -1.221872552         3.499037208    
H        -0.4775173971       -0.4649732345         3.298299593    
H        -0.5712427986        -1.993809600         3.175768686    
O         0.6152955610        -3.146396601         2.327561259    
H          1.450265453        -2.695549096         2.028428507    
H         0.8851138159        -3.992160907         2.684725417    
O        -0.6676845814        -2.660599894        0.1357384696E-01
H         -1.637328036        -2.616345128        0.9870431690E-01
H        -0.3016710866        -2.927921096        0.8778644743    
O          3.004268957        -2.176284952        -1.346466863    
H          2.145892309        -2.531859408        -1.715461621    
H          3.701475241        -2.714559961        -1.719829207    
O          2.209095854        0.4087211918        -1.522284841    
H          2.663697614       -0.4497501691        -1.545282230    
H          1.412093190        0.2480094363       -0.9635695618    
O        -0.7097972006        -1.122149298        -3.652859979    
H        -0.8244927001        -1.292223032        -4.587946442    
H        -0.2479115899       -0.2411594300        -3.591261714    
O         -3.320264589        -2.183087261       -0.1640477518E-01
H         -3.259100256        -1.670327265       -0.8716769116    
H         -4.070893377        -2.769615584       -0.1059800744    
O          3.273555493        0.5940184264         2.147584386    
H          3.996427693        0.8331174263         2.726532962    
H          3.289240756         1.243977370         1.389066892    
O         -2.989087604         2.043851102         1.387371323    
H         -3.829074004         2.445171199         1.609013355    
H         -3.047345217         1.096076900         1.719000934    
O          2.829580605        -2.055607532         1.424503241    
H          2.996098131        -1.132350256         1.677171812    
H          2.884030930        -2.087758123        0.4535279728    
O         0.2687115778E-01   -0.8214330691E-01   -0.8314374182E-01
H        -0.7406613748        0.4050026997       -0.4507215073    
H        -0.2119476361        -1.035798904       -0.9480558138E-01
O         0.7222679857        -3.034405940        -2.281595872    
H         0.2694213702        -2.367286886        -2.828823997    
H         0.1967213254        -3.070741387        -1.462781182    
O          3.198629760         2.267862188        0.1419990882    
H          2.427224152         2.856873320        0.1976955355    
H          2.973548590         1.635814675       -0.5716608285    
O         0.5703040090        0.6753821586         2.427050319    
H          1.538361131        0.6347194575         2.497599594    
H         0.3691349844        0.3869252865         1.508249393    
O         -3.051615028       -0.8159575810        -2.228727085    
H         -2.827762615        0.5641029474E-01    -1.859706096    
H         -2.260776240        -1.069298109        -2.737808326    
    63
Energy=    -106.840664106740    
O         0.5917918230         1.153213896        -3.532562619    
H         0.1505181141         1.905632621        -3.111423042    
H          1.314400315        0.9123077176        -2.916572181    
O        -0.5468403283         3.077054261         2.135804412    
H         -1.449223354         2.809434423         1.890314846    
H        -0.1095030682         2.237819161         2.400002020    
O        -0.4270416018         3.350629184        -2.073879829    
H        -0.5034092431         4.184700007        -2.537314681    
H         0.1285620288         3.512884861        -1.277138395    
O         0.9246260663         3.878311588        0.1760985765    
H         0.3391593449         3.552236608        0.9303089553    
H          1.153841843         4.780652586        0.3999595051    
O         -3.233587637       -0.4183666183         2.145398524    
H         -2.491514061       -0.7305359156         2.710197663    
H         -3.277002063        -1.033208419         1.395366913    
O         -2.019803298         1.384780382        -1.025520835    
H         -1.573795071         2.136799332        -1.444399699    
H         -2.419196288         1.706294603       -0.1929227321    
O         -1.057727384        -1.221873149         3.498970025    
H        -0.4774477631       -0.4650038411         3.298283267    
H        -0.5712092478        -1.993807780         3.175761298    
O         0.6152140735        -3.146472702         2.327542623    
H          1.450297383        -2.695615714         2.028420400    
H         0.8851520964        -3.992186323         2.684697286    
O        -0.6677248675        -2.660613926        0.1361282563E-01
H         -1.637340871        -2.616347100        0.9875168560E-01
H        -0.3017130961        -2.927903621        0.8778751605    
O          3.004284043        -2.176379860        -1.346467749    
H          2.145886263        -2.531886971        -1.715424651    
H          3.701442886        -2.714515373        -1.719896678    
O          2.209126242        0.4087537373        -1.522281960    
H          2.663738644       -0.4496558594        -1.545204825    
H          1.412099854        0.2480143446       -0.9636060101    
O        -0.7097878602        -1.122144624        -3.652892316    
H        -0.8245886909        -1.292177624        -4.587944659    
H        -0.2479424547       -0.2411669687        -3.591278736    
O         -3.320264983        -2.183182284       -0.1640253600E-01
H         -3.259139537        -1.670347177       -0.8715936071    
H         -4.070899609        -2.769635805       -0.1060027531    
O          3.273560848        0.5940170882         2.147648235    
H          3.996380384        0.8330882983         2.726543285    
H          3.289254330         1.243960064         1.389085731    
O         -2.989120284         2.043846839         1.387432298    
H         -3.829119176         2.445136677         1.609073728    
H         -3.047369865         1.096064747         1.719029392    
O          2.829547476        -2.055604354         1.424514508    
H          2.996116672        -1.132341468         1.677081769    
H          2.884078064        -2.087740125        0.4535561732    
O         0.2688912995E-01   -0.8210589733E-01   -0.8314874335E-01
H        -0.7406907004        0.4050435477       -0.4506730601    
H        -0.2119260670        -1.035740568       -0.9478696442E-01
O         0.7222505216        -3.034378760        -2.281570487    
H         0.2693890213        -2.367291481        -2.828832605    
H         0.1967258603        -3.070681193        -1.462748018    
O          3.198679152         2.267944420        0.1419896356    
H          2.427205560         2.856872788        0.1976729945    
H          2.973583690         1.635879293       -0.5716215863    
O         0.5702785790        0.6753580555         2.427040374    
H          1.538326694        0.6347980062         2.497573960    
H         0.3691369533        0.3869854201         1.508205631    
O         -3.051631890       -0.8159538193        -2.228724458    
H         -2.827715250        0.5638041276E-01    -1.859702810    
H         -2.260757242        -1.069272045        -2.737764989    
    63
Energy=    -106.840663900880    
O         0.5927474352         1.153312145        -3.532261961    
H         0.1513532884         1.905493217        -3.111199124    
H          1.315504239        0.9122995367        -2.916345444    
O        -0.5474469123         3.077204799         2.134492162    
H         -1.450077686         2.809609355         1.889874729    
H        -0.1100893861         2.237991623         2.399058456    
O        -0.4271133321         3.350591261        -2.074408823    
H        -0.5035504245         4.184355391        -2.538115184    
H         0.1289271296         3.513302116        -1.277873681    
O         0.9244831538         3.878103147        0.1750734324    
H         0.3385207941         3.552086742        0.9289675143    
H          1.153262345         4.780614848        0.3987129824    
O         -3.233792218       -0.4190232689         2.145581281    
H         -2.491532300       -0.7312044781         2.710204913    
H         -3.277629595        -1.033936137         1.395635639    
O         -2.019890047         1.385093442        -1.024672209    
H         -1.574198978         2.137187560        -1.443917566    
H         -2.419439310         1.706589063       -0.1922616429    
O         -1.057210119        -1.222091959         3.498052126    
H        -0.4772715671       -0.4650264617         3.297050395    
H        -0.5705875185        -1.994038545         3.175052065    
O         0.6156449981        -3.147138364         2.327605088    
H          1.450485055        -2.696121617         2.028452599    
H         0.8854246437        -3.993133169         2.684172200    
O        -0.6680919791        -2.659863572        0.1413786666E-01
H         -1.637762999        -2.615766261        0.9936038846E-01
H        -0.3018635789        -2.927701302        0.8782186800    
O          3.004396859        -2.176832455        -1.346198470    
H          2.145641334        -2.531818990        -1.715057416    
H          3.701119092        -2.715033409        -1.720434930    
O          2.209926573        0.4084004807        -1.522097184    
H          2.664162028       -0.4502921757        -1.545137360    
H          1.412682795        0.2481255052       -0.9636059625    
O        -0.7096095069        -1.121482103        -3.652571151    
H        -0.8258299550        -1.290516403        -4.587573655    
H        -0.2473643436       -0.2406265507        -3.590873992    
O         -3.320830736        -2.183796774       -0.1640805896E-01
H         -3.259319431        -1.670378921       -0.8712593981    
H         -4.071179691        -2.770539907       -0.1068288606    
O          3.273385458        0.5937801486         2.147391926    
H          3.996298928        0.8320012269         2.726551332    
H          3.289463856         1.244181397         1.389238135    
O         -2.989862386         2.043163160         1.387972572    
H         -3.829617783         2.444482867         1.610406943    
H         -3.048018950         1.095212768         1.719180263    
O          2.829431066        -2.056061770         1.424695078    
H          2.995215668        -1.132586248         1.677150354    
H          2.884294362        -2.088593192        0.4537317572    
O         0.2716821414E-01   -0.8160027018E-01   -0.8333152702E-01
H        -0.7403015364        0.4057291233       -0.4508601884    
H        -0.2119298904        -1.035192512       -0.9436854585E-01
O         0.7220595209        -3.033717443        -2.280564118    
H         0.2697192478        -2.366830951        -2.828371566    
H         0.1961111975        -3.069484255        -1.461944471    
O          3.199083363         2.267975294        0.1421004687    
H          2.427716600         2.857031171        0.1975609834    
H          2.974220452         1.635744346       -0.5714962502    
O         0.5702805176        0.6762981746         2.426585847    
H          1.538326842        0.6351542473         2.497173937    
H         0.3690579669        0.3879573205         1.507769646    
O         -3.051012398       -0.8155888664        -2.228084000    
H         -2.827180183        0.5668114436E-01    -1.858764757    
H         -2.259999182        -1.068976689        -2.736814781    
    63
Energy=    -106.840663575320    
O         0.5924376456         1.151713788        -3.531487533    
H         0.1507220603         1.903690832        -3.110189797    
H          1.315391871        0.9110871278        -2.915640396    
O        -0.5483763624         3.077189737         2.134788886    
H         -1.450873039         2.809307756         1.889911029    
H        -0.1108389333         2.238114817         2.399252348    
O        -0.4256090341         3.350551890        -2.074933614    
H        -0.4978974880         4.183281960        -2.541351368    
H         0.1295101705         3.513272107        -1.277776064    
O         0.9240846503         3.877868403        0.1755583678    
H         0.3376742325         3.551836752        0.9290486468    
H          1.151766580         4.780762721        0.3989578095    
O         -3.233734693       -0.4195279028         2.145830527    
H         -2.491186028       -0.7316125109         2.710139185    
H         -3.277674038        -1.034485583         1.395899279    
O         -2.019682211         1.386001628        -1.024871804    
H         -1.574384754         2.138242639        -1.444015086    
H         -2.419467669         1.707206675       -0.1923300253    
O         -1.056884619        -1.222707589         3.497394355    
H        -0.4772067092       -0.4654345054         3.296398449    
H        -0.5700300334        -1.994419355         3.174133463    
O         0.6160846311        -3.147421536         2.326726506    
H          1.450967400        -2.695974776         2.027928569    
H         0.8864337617        -3.993607016         2.682497948    
O        -0.6684068833        -2.658541131        0.1449643737E-01
H         -1.638082192        -2.615075239        0.9984729661E-01
H        -0.3019371395        -2.927205542        0.8781976210    
O          3.004489942        -2.176367516        -1.346737583    
H          2.145637618        -2.531636285        -1.715040020    
H          3.701297856        -2.714059328        -1.721673591    
O          2.210405813        0.4086143945        -1.521602513    
H          2.664132033       -0.4503756317        -1.544501590    
H          1.413185474        0.2485960347       -0.9630246830    
O        -0.7104974587        -1.122504251        -3.652158081    
H        -0.8280232852        -1.290854293        -4.587205333    
H        -0.2476096587       -0.2420420279        -3.590380192    
O         -3.321323419        -2.183615263       -0.1638648720E-01
H         -3.259542332        -1.670247780       -0.8713108159    
H         -4.071309954        -2.770738511       -0.1073667484    
O          3.272890314        0.5938968252         2.147224137    
H          3.995807787        0.8314616803         2.726736984    
H          3.289637322         1.244491412         1.389263677    
O         -2.989965115         2.042570742         1.387748507    
H         -3.829650091         2.443905248         1.610437717    
H         -3.048000608         1.094570125         1.718863549    
O          2.829605521        -2.055715180         1.424398100    
H          2.994578706        -1.132049580         1.676598002    
H          2.884331363        -2.088205244        0.4534697580    
O         0.2727894433E-01   -0.8079862904E-01   -0.8328288380E-01
H        -0.7400871428        0.4065658123       -0.4508800600    
H        -0.2122399085        -1.034293304       -0.9425657226E-01
O         0.7218419356        -3.033886390        -2.280101282    
H         0.2695253943        -2.367541472        -2.828658384    
H         0.1959611198        -3.068568319        -1.461371643    
O          3.199450662         2.268513137        0.1423334693    
H          2.427883667         2.857260529        0.1981335308    
H          2.974401726         1.636260318       -0.5711582764    
O         0.5701283866        0.6762332956         2.426938955    
H          1.538198896        0.6355186134         2.497464660    
H         0.3690654714        0.3882112542         1.507959970    
O         -3.050965993       -0.8150269107        -2.227194104    
H         -2.826708518        0.5723088365E-01    -1.858091748    
H         -2.260102540        -1.068732938        -2.736089980    
    63
Energy=    -106.840663216640    
O         0.5930006925         1.151355471        -3.530898933    
H         0.1509305772         1.902896307        -3.109144739    
H          1.316070983        0.9107096488        -2.915221256    
O        -0.5492358340         3.077602111         2.133713571    
H         -1.451570052         2.808947574         1.888908983    
H        -0.1112455637         2.238998112         2.398902181    
O        -0.4255951334         3.350109855        -2.075606007    
H        -0.4964196009         4.182362565        -2.542933230    
H         0.1295354542         3.512860067        -1.278495682    
O         0.9240429553         3.877790705        0.1751200806    
H         0.3375659713         3.551817203        0.9286192254    
H          1.151227171         4.780838055        0.3982655366    
O         -3.233998851       -0.4202232814         2.146066228    
H         -2.491123289       -0.7321418533         2.709974569    
H         -3.278318508        -1.035208342         1.396216790    
O         -2.019702364         1.386841106        -1.024826610    
H         -1.574473551         2.139301833        -1.443568437    
H         -2.419703740         1.707595435       -0.1922252996    
O         -1.056508290        -1.222952417         3.496465067    
H        -0.4771143394       -0.4653815778         3.295762836    
H        -0.5693652167        -1.994474037         3.173213634    
O         0.6166818974        -3.147800048         2.326245734    
H          1.451262942        -2.695952067         2.027437107    
H         0.8871247481        -3.994267582         2.681224352    
O        -0.6689077898        -2.657932669        0.1498327589E-01
H         -1.638548282        -2.614598911        0.1006470451    
H        -0.3021327469        -2.926699713        0.8784888655    
O          3.004479706        -2.176570583        -1.346420538    
H          2.145724672        -2.531876951        -1.714833231    
H          3.701438817        -2.713981199        -1.721424946    
O          2.211087519        0.4085449104        -1.521090891    
H          2.664860828       -0.4503993999        -1.544218335    
H          1.413739656        0.2486686871       -0.9626500337    
O        -0.7104776192        -1.122187033        -3.651450932    
H        -0.8287848746        -1.290567832        -4.586353447    
H        -0.2470209697       -0.2418644147        -3.589975659    
O         -3.321660242        -2.183924447       -0.1645908026E-01
H         -3.259566058        -1.670171503       -0.8711023749    
H         -4.071376309        -2.771285666       -0.1080276364    
O          3.272373515        0.5934698302         2.146949072    
H          3.996029935        0.8298903269         2.725984252    
H          3.289456056         1.244105376         1.389001536    
O         -2.990355577         2.041801951         1.388157393    
H         -3.829968523         2.443063945         1.611294832    
H         -3.048210589         1.093757441         1.719292087    
O          2.829725854        -2.055423276         1.424294452    
H          2.994488623        -1.131671833         1.676459775    
H          2.884202064        -2.088187729        0.4533603430    
O         0.2733005942E-01   -0.8032116818E-01   -0.8362789989E-01
H        -0.7400441970        0.4072542859       -0.4509908490    
H        -0.2122944288        -1.033807234       -0.9439931700E-01
O         0.7214278219        -3.033320134        -2.279673299    
H         0.2689625934        -2.367126468        -2.828311266    
H         0.1955088062        -3.067892269        -1.461008612    
O          3.199694234         2.268613539        0.1425863803    
H          2.427982215         2.857173047        0.1985034348    
H          2.974981648         1.636521347       -0.5711621302    
O         0.5696415877        0.6767163584         2.426642711    
H          1.537619185        0.6359459342         2.498000791    
H         0.3692966488        0.3880425524         1.507695268    
O         -3.050769433       -0.8144384983        -2.226633784    
H         -2.826859188        0.5761973604E-01    -1.856909167    
H         -2.259633172        -1.067807580        -2.735324305    
    63
Energy=    -106.840663088090    
O         0.5926044411         1.150699308        -3.530633263    
H         0.1504996902         1.902250575        -3.108898140    
H          1.315756438        0.9102010458        -2.914971165    
O        -0.5493533457         3.077474399         2.134192285    
H         -1.451573666         2.808777265         1.889049122    
H        -0.1114193194         2.238850002         2.399299257    
O        -0.4251242207         3.350190213        -2.075668629    
H        -0.4942418373         4.182133320        -2.543953163    
H         0.1296345230         3.512757685        -1.278247643    
O         0.9238835664         3.877786016        0.1755502089    
H         0.3374755192         3.551736709        0.9290670661    
H          1.150901575         4.780861342        0.3986724772    
O         -3.233841044       -0.4201222253         2.146022192    
H         -2.491050095       -0.7321575645         2.710007821    
H         -3.278280341        -1.035144752         1.396196133    
O         -2.019548293         1.387062262        -1.025086821    
H         -1.574461844         2.139628125        -1.443797725    
H         -2.419613102         1.707743009       -0.1924939410    
O         -1.056492359        -1.223136297         3.496494092    
H        -0.4770817365       -0.4655365614         3.295906132    
H        -0.5693652327        -1.994620204         3.173107724    
O         0.6167117067        -3.147749643         2.326041144    
H          1.451372093        -2.695820729         2.027175021    
H         0.8873785294        -3.994271200         2.680787973    
O        -0.6689063916        -2.657766098        0.1484397673E-01
H         -1.638554444        -2.614390217        0.1006026369    
H        -0.3020845265        -2.926473551        0.8783830246    
O          3.004419316        -2.176378980        -1.346605010    
H          2.145723260        -2.531893370        -1.715076331    
H          3.701564666        -2.713458653        -1.721772861    
O          2.211017159        0.4087795193        -1.520897516    
H          2.664758822       -0.4501998018        -1.544081788    
H          1.413718451        0.2487299801       -0.9623920354    
O        -0.7107987268        -1.122779800        -3.651414726    
H        -0.8292145764        -1.291136833        -4.586345535    
H        -0.2473920662       -0.2425254018        -3.589894618    
O         -3.321586454        -2.183908303       -0.1642927172E-01
H         -3.259623685        -1.670013681       -0.8710575838    
H         -4.071423845        -2.771138245       -0.1079750709    
O          3.272266783        0.5936002704         2.146989859    
H          3.995902586        0.8300247292         2.726048401    
H          3.289435079         1.244176262         1.389000180    
O         -2.990223456         2.041728891         1.387991127    
H         -3.829874589         2.442992456         1.610942579    
H         -3.048102409         1.093722879         1.719186661    
O          2.829802597        -2.055158894         1.424129064    
H          2.994617410        -1.131368491         1.676262809    
H          2.884268774        -2.087818069        0.4531532129    
O         0.2728548939E-01   -0.8015910738E-01   -0.8352725756E-01
H        -0.7400084592        0.4074743486       -0.4509804956    
H        -0.2124160916        -1.033632241       -0.9448500660E-01
O         0.7215405880        -3.033384627        -2.279631319    
H         0.2687986146        -2.367592099        -2.828533229    
H         0.1955436087        -3.067973303        -1.460990184    
O          3.199683995         2.268782826        0.1426926112    
H          2.427904818         2.857244327        0.1987070089    
H          2.974956212         1.636784804       -0.5711303385    
O         0.5695806220        0.6767501640         2.426786163    
H          1.537535992        0.6359236524         2.498208125    
H         0.3692654793        0.3879312821         1.507890113    
O         -3.050950591       -0.8142886141        -2.226633340    
H         -2.826834917        0.5774396413E-01    -1.856955312    
H         -2.259855635        -1.067786468        -2.735317402    
    63
Energy=    -106.840662876370    
O         0.5927414931         1.150242663        -3.530122699    
H         0.1503714867         1.901618488        -3.108364368    
H          1.315872379        0.9098101921        -2.914362151    
O        -0.5496338930         3.077471240         2.134131374    
H         -1.451661394         2.808673171         1.888497519    
H        -0.1118143141         2.238828162         2.399420755    
O        -0.4249388241         3.350247832        -2.075971664    
H        -0.4924681850         4.181711055        -2.545317148    
H         0.1296799205         3.512773746        -1.278427280    
O         0.9238431748         3.877692965        0.1753884449    
H         0.3373253270         3.551748443        0.9288729494    
H          1.150962399         4.780806148        0.3984149676    
O         -3.234136897       -0.4204841648         2.146232801    
H         -2.491076420       -0.7326244182         2.709917065    
H         -3.278723570        -1.035310425         1.396192077    
O         -2.019476014         1.387441155        -1.024981302    
H         -1.574840714         2.140088020        -1.443967166    
H         -2.419695141         1.708081680       -0.1923962112    
O         -1.056298600        -1.223378436         3.496338005    
H        -0.4770202437       -0.4656674573         3.295797263    
H        -0.5690500054        -1.994724536         3.172776451    
O         0.6170789357        -3.147704036         2.325844385    
H          1.451727587        -2.695856599         2.026757226    
H         0.8877813886        -3.994560077         2.679785756    
O        -0.6689918415        -2.657531627        0.1482693366E-01
H         -1.638652072        -2.614106995        0.1006032497    
H        -0.3020349388        -2.926036258        0.8784183514    
O          3.004321732        -2.176425477        -1.346569093    
H          2.145647613        -2.531915020        -1.715230236    
H          3.701690029        -2.713389725        -1.721499622    
O          2.211371745        0.4089227468        -1.520557374    
H          2.665080100       -0.4500555670        -1.543619980    
H          1.414032120        0.2486589916       -0.9621688495    
O        -0.7110813495        -1.122896797        -3.651098635    
H        -0.8291407448        -1.291574064        -4.585977808    
H        -0.2475998721       -0.2426155965        -3.589577821    
O         -3.321861881        -2.184002492       -0.1629346659E-01
H         -3.259720956        -1.669916809       -0.8707946217    
H         -4.071520094        -2.771408670       -0.1082214054    
O          3.272064136        0.5933839860         2.146992071    
H          3.996472862        0.8292433097         2.725319926    
H          3.288925375         1.244040981         1.389057307    
O         -2.990470153         2.041271313         1.387980390    
H         -3.830061133         2.442486872         1.611202635    
H         -3.048174781         1.093307831         1.719300950    
O          2.829980763        -2.054819200         1.423886648    
H          2.994956095        -1.131114508         1.676059599    
H          2.884408840        -2.087335143        0.4529726342    
O         0.2728338618E-01   -0.8005827115E-01   -0.8361116743E-01
H        -0.7397560934        0.4078762899       -0.4511070754    
H        -0.2127652154        -1.033430420       -0.9488109950E-01
O         0.7213961798        -3.033420444        -2.279451946    
H         0.2685775675        -2.367474296        -2.828168174    
H         0.1954581064        -3.068104943        -1.460742570    
O          3.199772408         2.268992836        0.1429635532    
H          2.427841897         2.857267747        0.1988956550    
H          2.975332024         1.637098021       -0.5710411879    
O         0.5692527001        0.6770821404         2.426898201    
H          1.537197780        0.6360313413         2.498464392    
H         0.3689341036        0.3884639788         1.507918722    
O         -3.051092792       -0.8138602178        -2.226212267    
H         -2.827148433        0.5836250591E-01    -1.856870360    
H         -2.259963987        -1.067165563        -2.735014024    
    63
Energy=    -106.840662814540    
O         0.5930610208         1.150360234        -3.529823421    
H         0.1505797610         1.901606086        -3.107944797    
H          1.316226085        0.9098570470        -2.914146175    
O        -0.5497783144         3.077575268         2.133719177    
H         -1.451734852         2.808680612         1.887938770    
H        -0.1119824089         2.238957688         2.399200685    
O        -0.4251840914         3.350200703        -2.076117136    
H        -0.4925290757         4.181505966        -2.545705273    
H         0.1296807466         3.512823976        -1.278792835    
O         0.9239250355         3.877623847        0.1749541759    
H         0.3372429416         3.551828089        0.9283623551    
H          1.151215727         4.780691599        0.3979094973    
O         -3.234448456       -0.4208797084         2.146413262    
H         -2.491174575       -0.7329684712         2.709798603    
H         -3.279115126        -1.035515897         1.396242073    
O         -2.019513543         1.387603903        -1.024726473    
H         -1.575148969         2.140278255        -1.443928811    
H         -2.419822611         1.708261255       -0.1921959041    
O         -1.056157747        -1.223452439         3.496169831    
H        -0.4770039382       -0.4656649672         3.295618280    
H        -0.5687884390        -1.994703932         3.172590862    
O         0.6173801760        -3.147713985         2.325834856    
H          1.451975062        -2.695964339         2.026585280    
H         0.8879010482        -3.994812773         2.679280453    
O        -0.6690777607        -2.657434098        0.1492363299E-01
H         -1.638727475        -2.614036946        0.1006488368    
H        -0.3020429068        -2.925848694        0.8784960767    
O          3.004284194        -2.176583938        -1.346418980    
H          2.145617721        -2.531916483        -1.715201330    
H          3.701671480        -2.713706151        -1.721065084    
O          2.211710698        0.4088464878        -1.520411615    
H          2.665466584       -0.4501022680        -1.543343574    
H          1.414304500        0.2486100291       -0.9621347262    
O        -0.7110527714        -1.122563834        -3.650811089    
H        -0.8287978261        -1.291498152        -4.585711010    
H        -0.2475490676       -0.2422814196        -3.589390940    
O         -3.322142178        -2.184060220       -0.1620935632E-01
H         -3.259742562        -1.669898760       -0.8706245212    
H         -4.071553866        -2.771713315       -0.1084953297    
O          3.272017275        0.5931139069         2.146927423    
H          3.997003291        0.8285580720         2.724678204    
H          3.288505987         1.243904836         1.389115537    
O         -2.990743468         2.040953852         1.388065437    
H         -3.830261965         2.442127897         1.611625298    
H         -3.048314518         1.092992565         1.719460039    
O          2.830020976        -2.054764729         1.423829321    
H          2.995153165        -1.131090846         1.676090446    
H          2.884489026        -2.087260776        0.4529040348    
O         0.2731028440E-01   -0.8004036151E-01   -0.8372382184E-01
H        -0.7396302690        0.4080453754       -0.4512234994    
H        -0.2129495936        -1.033369640       -0.9510083320E-01
O         0.7212077015        -3.033394537        -2.279329185    
H         0.2685056594        -2.367114591        -2.827693297    
H         0.1953868374        -3.068157659        -1.460584009    
O          3.199817370         2.269049304        0.1431016560    
H          2.427808583         2.857234143        0.1989047906    
H          2.975630187         1.637151016       -0.5709641296    
O         0.5690449294        0.6772862432         2.426892922    
H          1.536964911        0.6361413425         2.498544731    
H         0.3687185649        0.3889362519         1.507834245    
O         -3.051027732       -0.8136058731        -2.225853230    
H         -2.827396958        0.5877319103E-01    -1.856732751    
H         -2.259923361        -1.066701640        -2.734748173    
    63
Energy=    -106.840662035420    
O         0.5930450764         1.149411076        -3.528706338    
H         0.1506441605         1.900616644        -3.106596537    
H          1.316404531        0.9090825673        -2.913226306    
O        -0.5502278286         3.077752445         2.132641547    
H         -1.452306845         2.808857509         1.887202814    
H        -0.1126136969         2.239428985         2.399357421    
O        -0.4243524363         3.350102459        -2.076768410    
H        -0.4867850050         4.180089108        -2.549334033    
H         0.1301676226         3.513001309        -1.279222674    
O         0.9238679411         3.877559380        0.1746242572    
H         0.3368746987         3.552124726        0.9279789760    
H          1.151497448         4.780561092        0.3974841106    
O         -3.234984532       -0.4218267857         2.146924123    
H         -2.491642181       -0.7343234794         2.709731397    
H         -3.280206904        -1.036151559         1.396635239    
O         -2.019958894         1.388408176        -1.024722244    
H         -1.576272215         2.141256110        -1.444148266    
H         -2.419983257         1.708730327       -0.1919806806    
O         -1.056084685        -1.224403168         3.495721222    
H        -0.4772897292       -0.4661440077         3.295839881    
H        -0.5679175900        -1.995246820         3.172469304    
O         0.6185519355        -3.147516466         2.324305441    
H          1.453217372        -2.695450967         2.025833733    
H         0.8887842466        -3.995297996         2.676337103    
O        -0.6692485255        -2.656794283        0.1465612548E-01
H         -1.638876650        -2.613844871        0.1005524271    
H        -0.3020350082        -2.924781957        0.8782769603    
O          3.004229054        -2.175924234        -1.347077059    
H          2.145628133        -2.531806104        -1.715345148    
H          3.701308365        -2.714510220        -1.720126808    
O          2.212486429        0.4089114670        -1.519320649    
H          2.666331253       -0.4500103510        -1.542432685    
H          1.414767731        0.2491207730       -0.9613604851    
O        -0.7120512454        -1.122898533        -3.649706373    
H        -0.8279862019        -1.292875748        -4.584639277    
H        -0.2481889165       -0.2427673775        -3.588544876    
O         -3.322653369        -2.184068948       -0.1613825261E-01
H         -3.260570832        -1.669209026       -0.8700848626    
H         -4.071639672        -2.772166540       -0.1090636628    
O          3.271588473        0.5930893724         2.147103606    
H          3.999244595        0.8264655590         2.722389561    
H          3.287420716         1.244262252         1.389580958    
O         -2.991333639         2.040046539         1.388303914    
H         -3.831001718         2.440929797         1.611981825    
H         -3.048802132         1.091910900         1.719361454    
O          2.831359370        -2.054329975         1.422932751    
H          2.995573995        -1.130617150         1.675843901    
H          2.884888834        -2.086196862        0.4519110821    
O         0.2722979663E-01   -0.7926186158E-01   -0.8383348350E-01
H        -0.7394875296        0.4090366515       -0.4515545739    
H        -0.2131782228        -1.032587672       -0.9541537583E-01
O         0.7211351803        -3.034083967        -2.279042903    
H         0.2682595161        -2.367154442        -2.826529482    
H         0.1958582582        -3.069255776        -1.459936082    
O          3.199707852         2.269711204        0.1440929270    
H          2.427572172         2.857843451        0.1993556835    
H          2.976102714         1.637803258       -0.5701626827    
O         0.5682846871        0.6775426781         2.427465036    
H          1.536119739        0.6361138072         2.499020726    
H         0.3678314903        0.3901812164         1.508191751    
O         -3.052146534       -0.8122532427        -2.225241349    
H         -2.828609534        0.6032104143E-01    -1.856431286    
H         -2.261036755        -1.065753888        -2.733904932    
    63
Energy=    -106.840658311560    
O         0.5908041293         1.146254321        -3.525892877    
H         0.1489192277         1.898611608        -3.105161864    
H          1.314811037        0.9073318741        -2.910667740    
O        -0.5515202489         3.078443569         2.132646758    
H         -1.454050239         2.809818251         1.888869230    
H        -0.1137965629         2.240252909         2.399302827    
O        -0.4214978607         3.352071929        -2.079217390    
H        -0.4661707411         4.178127296        -2.560920623    
H         0.1312806273         3.513583556        -1.280347362    
O         0.9234805653         3.878726728        0.1752209790    
H         0.3356373758         3.553066903        0.9277043386    
H          1.151780818         4.781199441        0.3994763723    
O         -3.236114259       -0.4237694240         2.147952331    
H         -2.493302752       -0.7362420858         2.711363631    
H         -3.280407307        -1.038185589         1.397573011    
O         -2.020638596         1.390516394        -1.025651889    
H         -1.578458260         2.144240964        -1.444602266    
H         -2.420765635         1.709603704       -0.1924239808    
O         -1.056893510        -1.227746394         3.496449357    
H        -0.4792962834       -0.4685404097         3.297232411    
H        -0.5674543177        -1.997602082         3.172920151    
O         0.6215535746        -3.146003767         2.320395308    
H          1.456486620        -2.693950729         2.022379533    
H         0.8913846996        -3.995659132         2.668188053    
O        -0.6687742285        -2.654414455        0.1321955089E-01
H         -1.638395310        -2.611715914        0.9896210797E-01
H        -0.3011421201        -2.922285517        0.8768032243    
O          3.004864934        -2.176069273        -1.348878771    
H          2.145659277        -2.531503903        -1.716259115    
H          3.700664051        -2.717934794        -1.719643575    
O          2.212712571        0.4105270608        -1.517082292    
H          2.665713492       -0.4486998746        -1.542089608    
H          1.415316806        0.2507322950       -0.9585967171    
O        -0.7142635625        -1.126782720        -3.645492311    
H        -0.8257029462        -1.298040428        -4.580762893    
H        -0.2504369520       -0.2467580500        -3.583455362    
O         -3.323095508        -2.183687102       -0.1717041856E-01
H         -3.263390879        -1.667555894       -0.8706070251    
H         -4.071947374        -2.772060438       -0.1094492564    
O          3.271581114        0.5941536444         2.147601681    
H          4.004060972        0.8205722572         2.719543332    
H          3.287919761         1.247202673         1.391754384    
O         -2.992256597         2.038454153         1.388720004    
H         -3.832586547         2.439177994         1.610104535    
H         -3.049850398         1.090611218         1.720250665    
O          2.834768970        -2.052654358         1.421127243    
H          2.996560622        -1.128239120         1.673469435    
H          2.888871980        -2.084988031        0.4501137367    
O         0.2642555986E-01   -0.7689381057E-01   -0.8304424165E-01
H        -0.7398152701        0.4114262522       -0.4514738073    
H        -0.2139059262        -1.030161087       -0.9528839435E-01
O         0.7219647785        -3.036927253        -2.278777330    
H         0.2678925080        -2.370812798        -2.826576545    
H         0.1972632917        -3.070810185        -1.459059425    
O          3.199650521         2.272477090        0.1459517735    
H          2.427310989         2.860360089        0.2009122064    
H          2.976023549         1.639940519       -0.5676667147    
O         0.5666235505        0.6773900336         2.429218900    
H          1.534339642        0.6370427599         2.501556490    
H         0.3671152444        0.3894898457         1.509872224    
O         -3.057886248       -0.8098476896        -2.225777144    
H         -2.831424407        0.6189249573E-01    -1.856875359    
H         -2.267690912        -1.065999922        -2.734434004    
    63
Energy=    -106.840657800480    
O         0.5907410721         1.146332178        -3.526028301    
H         0.1485008025         1.898555381        -3.105373636    
H          1.314897647        0.9077790747        -2.910795221    
O        -0.5516812689         3.078607956         2.132871872    
H         -1.454032817         2.809956342         1.888640463    
H        -0.1140629172         2.240092862         2.398813659    
O        -0.4210863292         3.352172169        -2.079819782    
H        -0.4650300589         4.177990904        -2.561818302    
H         0.1313092857         3.513899061        -1.280758767    
O         0.9235120349         3.879274660        0.1749571014    
H         0.3355637252         3.553438302        0.9271634043    
H          1.151902137         4.781655822        0.3995140979    
O         -3.236322420       -0.4240313660         2.148244598    
H         -2.493636116       -0.7366884106         2.711805261    
H         -3.280420063        -1.038161949         1.397607192    
O         -2.020911563         1.390598870        -1.025522831    
H         -1.578711563         2.144250915        -1.444543736    
H         -2.421004547         1.709523292       -0.1921987160    
O         -1.056966676        -1.227910598         3.496571953    
H        -0.4793428797       -0.4686715120         3.297339935    
H        -0.5676178625        -1.997759741         3.172795667    
O         0.6216607548        -3.146148082         2.319978329    
H          1.456392482        -2.693616609         2.022146538    
H         0.8917311019        -3.995850481         2.667477701    
O        -0.6687869080        -2.654012277        0.1316521396E-01
H         -1.638372507        -2.611422485        0.9897162250E-01
H        -0.3011571058        -2.921934665        0.8767474624    
O          3.004912471        -2.176468656        -1.349006291    
H          2.145671878        -2.532214215        -1.716049215    
H          3.700620360        -2.718800389        -1.719255143    
O          2.212644311        0.4105709573        -1.516921221    
H          2.665604081       -0.4486490214        -1.542027206    
H          1.415119038        0.2505183507       -0.9587202525    
O        -0.7141991494        -1.126721905        -3.644576308    
H        -0.8252314099        -1.298023787        -4.579877049    
H        -0.2505513324       -0.2465506262        -3.582456706    
O         -3.322976101        -2.183979286       -0.1749737874E-01
H         -3.263650487        -1.667794091       -0.8708795109    
H         -4.071994836        -2.772226299       -0.1092543808    
O          3.271397570        0.5941971773         2.147925611    
H          4.004586830        0.8192918042         2.719457387    
H          3.288408130         1.247068892         1.392007129    
O         -2.992439437         2.038340380         1.389220929    
H         -3.833019530         2.438838556         1.610044178    
H         -3.050259740         1.090459650         1.720497244    
O          2.835720958        -2.052533973         1.421011448    
H          2.996598805        -1.127824611         1.672896133    
H          2.889551834        -2.085222183        0.4499927428    
O         0.2646157311E-01   -0.7684960520E-01   -0.8287518461E-01
H        -0.7397241832        0.4117233772       -0.4510414147    
H        -0.2140097360        -1.030170907       -0.9560750650E-01
O         0.7220978491        -3.036919480        -2.278565905    
H         0.2679869414        -2.371261599        -2.826688028    
H         0.1972414612        -3.070616375        -1.459086801    
O          3.199856977         2.272900436        0.1460319079    
H          2.427469037         2.860726717        0.2011130289    
H          2.976254572         1.640403587       -0.5675641773    
O         0.5665216388        0.6772465785         2.429568372    
H          1.534263021        0.6373598690         2.501917965    
H         0.3671877028        0.3896996089         1.510105298    
O         -3.058475164       -0.8097480110        -2.226100058    
H         -2.831881135        0.6200673814E-01    -1.857337107    
H         -2.268321136        -1.065939670        -2.734845823    
    63
Energy=    -106.840657514900    
O         0.5910575494         1.146617594        -3.526235526    
H         0.1487821669         1.898783204        -3.105525459    
H          1.315234385        0.9080965111        -2.910989371    
O        -0.5517557945         3.078802729         2.132742764    
H         -1.454063968         2.810055986         1.888457978    
H        -0.1141247877         2.240211109         2.398454281    
O        -0.4211919438         3.352072756        -2.079983970    
H        -0.4658860245         4.178000352        -2.561580889    
H         0.1313018552         3.513860272        -1.281000733    
O         0.9236101282         3.879334850        0.1746564842    
H         0.3355595323         3.553545047        0.9267541827    
H          1.152163525         4.781665975        0.3992827125    
O         -3.236439146       -0.4241836593         2.148316188    
H         -2.493732419       -0.7368430481         2.711924245    
H         -3.280553224        -1.038256660         1.397655883    
O         -2.021017858         1.390543665        -1.025361279    
H         -1.578719604         2.144200119        -1.444386956    
H         -2.421132547         1.709513848       -0.1919774027    
O         -1.056942788        -1.227854901         3.496476977    
H        -0.4793565666       -0.4685886238         3.297202784    
H        -0.5675933384        -1.997718174         3.172779487    
O         0.6216754786        -3.146265557         2.320001200    
H          1.456352935        -2.693623860         2.022184299    
H         0.8917195687        -3.995972784         2.667500062    
O        -0.6688154150        -2.654047075        0.1325089096E-01
H         -1.638411710        -2.611447347        0.9906684671E-01
H        -0.3011773516        -2.921963580        0.8768473476    
O          3.004899453        -2.176621354        -1.348942248    
H          2.145575649        -2.532304554        -1.715896105    
H          3.700542289        -2.719183307        -1.718942652    
O          2.212756135        0.4105534054        -1.516942410    
H          2.665645269       -0.4486811380        -1.541962905    
H          1.415174864        0.2504286408       -0.9588782953    
O        -0.7140285927        -1.126357585        -3.644419109    
H        -0.8249099157        -1.297800364        -4.579705521    
H        -0.2503480946       -0.2461971298        -3.582325992    
O         -3.323012817        -2.184164083       -0.1757827158E-01
H         -3.263658229        -1.667890259       -0.8708761686    
H         -4.072030193        -2.772426113       -0.1092947360    
O          3.271386411        0.5941156652         2.147921672    
H          4.004812720        0.8187947104         2.719287857    
H          3.288464504         1.246989087         1.392026904    
O         -2.992530603         2.038302933         1.389560487    
H         -3.833153081         2.438744432         1.610373978    
H         -3.050451672         1.090379536         1.720626562    
O          2.835872731        -2.052591588         1.421106980    
H          2.996533678        -1.127825357         1.672889122    
H          2.889641871        -2.085398129        0.4500796814    
O         0.2648323331E-01   -0.7694409885E-01   -0.8292825560E-01
H        -0.7397486753        0.4116625846       -0.4509985405    
H        -0.2140722178        -1.030278563       -0.9569079501E-01
O         0.7220734224        -3.036643282        -2.278465144    
H         0.2679809629        -2.371083078        -2.826555108    
H         0.1971666791        -3.070467629        -1.459152820    
O          3.199949663         2.272924358        0.1460296819    
H          2.427527048         2.860746294        0.2010804982    
H          2.976369730         1.640399590       -0.5675638604    
O         0.5664504003        0.6773140240         2.429479086    
H          1.534186927        0.6375045577         2.501896901    
H         0.3671719256        0.3898051930         1.509957589    
O         -3.058460437       -0.8097637903        -2.226059921    
H         -2.831944237        0.6197196065E-01    -1.857291497    
H         -2.268348339        -1.065796718        -2.734850186    
    63
Energy=    -106.840656944190    
O         0.5911925585         1.146716068        -3.526840532    
H         0.1488553026         1.898729586        -3.105994984    
H          1.315536140        0.9086284357        -2.911698430    
O        -0.5517414101         3.078820414         2.132526304    
H         -1.454129259         2.810173421         1.888176336    
H        -0.1141851591         2.240262195         2.398293828    
O        -0.4206241374         3.351701248        -2.080269990    
H        -0.4657905876         4.177427647        -2.562061544    
H         0.1315763505         3.514028176        -1.281220200    
O         0.9237267037         3.879959095        0.1745320705    
H         0.3357585612         3.553922995        0.9266006667    
H          1.152036499         4.782365173        0.3992854995    
O         -3.236587928       -0.4244756636         2.148418101    
H         -2.493955287       -0.7371110579         2.712168490    
H         -3.280686963        -1.038152554         1.397649551    
O         -2.021294310         1.390467245        -1.025122320    
H         -1.578858174         2.143980839        -1.444064478    
H         -2.421159034         1.709354585       -0.1917004728    
O         -1.056904672        -1.227905761         3.496473796    
H        -0.4792952156       -0.4686144652         3.297296249    
H        -0.5676763841        -1.997730993         3.172531982    
O         0.6219619109        -3.146150609         2.319917253    
H          1.456397732        -2.693277025         2.022148089    
H         0.8920917032        -3.996022163         2.667019923    
O        -0.6691186186        -2.653895729        0.1330795809E-01
H         -1.638839830        -2.611626421        0.9915647699E-01
H        -0.3012005828        -2.921798195        0.8766385996    
O          3.004876686        -2.177117045        -1.348793376    
H          2.145484386        -2.532794015        -1.715705663    
H          3.700704895        -2.719752848        -1.718396273    
O          2.212685612        0.4105574580        -1.517121330    
H          2.665484379       -0.4486921142        -1.541966397    
H          1.414936028        0.2502419753       -0.9591808459    
O        -0.7137354089        -1.125821413        -3.643909298    
H        -0.8248180737        -1.297444042        -4.579090083    
H        -0.2503363272       -0.2456870188        -3.581985773    
O         -3.323054280        -2.184186955       -0.1779966643E-01
H         -3.263711784        -1.668250956       -0.8713543582    
H         -4.071928354        -2.772724474       -0.1088305447    
O          3.271350037        0.5940279256         2.148033146    
H          4.005141889        0.8177462406         2.719301975    
H          3.288539722         1.246930883         1.392251765    
O         -2.992949177         2.038206921         1.389829571    
H         -3.833669889         2.438429382         1.610622720    
H         -3.050636167         1.090305356         1.720997238    
O          2.836118132        -2.052625824         1.420943316    
H          2.996437200        -1.127739217         1.672632807    
H          2.889902711        -2.085571836        0.4498804523    
O         0.2648997815E-01   -0.7672770086E-01   -0.8265233080E-01
H        -0.7399744725        0.4116139549       -0.4507092856    
H        -0.2137224955        -1.030024603       -0.9584309987E-01
O         0.7223367066        -3.036828536        -2.278307351    
H         0.2681252844        -2.370927464        -2.826391276    
H         0.1970134437        -3.070540133        -1.458994033    
O          3.200188274         2.273171209        0.1461101272    
H          2.427983318         2.861024035        0.2013476873    
H          2.976457919         1.640734976       -0.5675543843    
O         0.5664577228        0.6772917854         2.429616250    
H          1.534149240        0.6376391032         2.502203055    
H         0.3671174708        0.3899624703         1.510156810    
O         -3.058932148       -0.8099163178        -2.226349367    
H         -2.832637479        0.6208786065E-01    -1.857650326    
H         -2.268449785        -1.065617908        -2.735000599    
    63
Energy=    -106.840656584170    
O         0.5895599470         1.145659432        -3.526562282    
H         0.1473092999         1.897596572        -3.105407235    
H          1.314538733        0.9080656552        -2.911953572    
O        -0.5515140204         3.078030598         2.133082362    
H         -1.454066720         2.809819245         1.888506549    
H        -0.1141653552         2.239560085         2.399484063    
O        -0.4195529616         3.352318927        -2.080489615    
H        -0.4613369598         4.176838570        -2.564586290    
H         0.1315464917         3.515155042        -1.280775538    
O         0.9233084797         3.880713906        0.1756309167    
H         0.3360438024         3.554044707        0.9279270264    
H          1.150869073         4.783322078        0.4004742394    
O         -3.236464625       -0.4241827464         2.148376562    
H         -2.493923184       -0.7369887810         2.712290560    
H         -3.280275544        -1.037541032         1.397348390    
O         -2.021100434         1.390377657        -1.025705415    
H         -1.579184738         2.144292435        -1.444604487    
H         -2.420682216         1.709248013       -0.1919806237    
O         -1.056984088        -1.228320896         3.496950280    
H        -0.4790881328       -0.4690742593         3.298081997    
H        -0.5680714929        -1.997998737         3.172255106    
O         0.6222889975        -3.145597019         2.319562101    
H          1.456734338        -2.692593743         2.021827702    
H         0.8927075492        -3.995676173         2.665934206    
O        -0.6694508689        -2.653250190        0.1281759101E-01
H         -1.639254388        -2.611650949        0.9882677127E-01
H        -0.3010930721        -2.921220974        0.8759403005    
O          3.004978185        -2.177442350        -1.349037266    
H          2.145826549        -2.533469133        -1.716141078    
H          3.701300844        -2.719123208        -1.719072430    
O          2.212117814        0.4104613895        -1.516970518    
H          2.665065576       -0.4486796053        -1.541792307    
H          1.414462830        0.2502859421       -0.9588690453    
O        -0.7142287617        -1.127087568        -3.643492774    
H        -0.8257516817        -1.298067811        -4.578777062    
H        -0.2514781127       -0.2464801414        -3.581321896    
O         -3.322846692        -2.183395964       -0.1803566117E-01
H         -3.263832067        -1.668387366       -0.8721489433    
H         -4.071578245        -2.772305195       -0.1079082915    
O          3.271275397        0.5943041088         2.148353490    
H          4.004720497        0.8180533675         2.720108947    
H          3.288678563         1.247164958         1.392517303    
O         -2.993080476         2.038125315         1.388811066    
H         -3.833970428         2.438250722         1.609336813    
H         -3.050221272         1.090522902         1.720946893    
O          2.836290963        -2.052324313         1.420235716    
H          2.996634310        -1.127562249         1.672149540    
H          2.890178238        -2.085110955        0.4491380887    
O         0.2651706378E-01   -0.7582219832E-01   -0.8182565545E-01
H        -0.7401203333        0.4120715327       -0.4502821409    
H        -0.2130807825        -1.029282323       -0.9579710659E-01
O         0.7223786822        -3.038022694        -2.278276974    
H         0.2686510417        -2.372318738        -2.826573426    
H         0.1973936059        -3.071142180        -1.458932616    
O          3.200464601         2.273451350        0.1462349182    
H          2.428300227         2.861498678        0.2018745356    
H          2.976293823         1.641266482       -0.5675015107    
O         0.5668013606        0.6768759699         2.430629774    
H          1.534532374        0.6373226133         2.502790070    
H         0.3671202591        0.3897356821         1.511030665    
O         -3.059541034       -0.8098024486        -2.227161561    
H         -2.833379128        0.6221911896E-01    -1.858692532    
H         -2.269060599        -1.065973514        -2.735289208    
    63
Energy=    -106.840649323670    
O         0.5841412855         1.143427333        -3.526084937    
H         0.1418624256         1.894493377        -3.103277096    
H          1.310001747        0.9052052140        -2.912714474    
O        -0.5513603201         3.075708398         2.135837744    
H         -1.452928407         2.806359853         1.888825885    
H        -0.1144149827         2.237362356         2.403053930    
O        -0.4168674235         3.353497501        -2.079324995    
H        -0.4454433074         4.172776812        -2.573367456    
H         0.1326295150         3.518083491        -1.278964584    
O         0.9245047908         3.884032389        0.1802757889    
H         0.3380405289         3.554802502        0.9319030659    
H          1.144437530         4.788764601        0.4043139706    
O         -3.235299126       -0.4224788353         2.148464722    
H         -2.493097039       -0.7363558339         2.712092189    
H         -3.278671243        -1.034632207         1.396257018    
O         -2.020377001         1.390284283        -1.028107819    
H         -1.579450921         2.145161576        -1.445895938    
H         -2.419797201         1.707987082       -0.1938701996    
O         -1.058005132        -1.229782089         3.497122697    
H        -0.4783449023       -0.4706372378         3.302248258    
H        -0.5690196268        -1.999119953         3.171548623    
O         0.6241543634        -3.142888671         2.317316703    
H          1.458864116        -2.689588220         2.020014909    
H         0.8948510884        -3.993609723         2.661831442    
O        -0.6692649836        -2.652058375        0.1059788593E-01
H         -1.638880097        -2.610355948        0.9678249396E-01
H        -0.3010793483        -2.919245787        0.8741510616    
O          3.005808402        -2.177615333        -1.350978813    
H          2.147817037        -2.537190291        -1.717153308    
H          3.703811500        -2.717241906        -1.720786484    
O          2.210506219        0.4104405593        -1.518337098    
H          2.662697815       -0.4491583544        -1.541814549    
H          1.414124349        0.2517513632       -0.9580538060    
O        -0.7166241768        -1.130337864        -3.642086486    
H        -0.8308131666        -1.299280115        -4.577386898    
H        -0.2542126756       -0.2495520591        -3.579802578    
O         -3.322299677        -2.180005879       -0.1878757922E-01
H         -3.265689796        -1.667828833       -0.8748249860    
H         -4.070402219        -2.770234424       -0.1050491830    
O          3.272188966        0.5938452689         2.148296383    
H          4.002584520        0.8204058299         2.722814052    
H          3.288235071         1.249119735         1.394490887    
O         -2.992684956         2.038684840         1.387009731    
H         -3.835582177         2.436580228         1.603846193    
H         -3.049736081         1.091098577         1.719332458    
O          2.835208110        -2.051453923         1.417631827    
H          2.997448726        -1.127466430         1.670881156    
H          2.889969683        -2.084164347        0.4465872331    
O         0.2667861385E-01   -0.7287456136E-01   -0.7956047276E-01
H        -0.7403471491        0.4140248482       -0.4488715785    
H        -0.2118676422        -1.026474356       -0.9388738762E-01
O         0.7234546999        -3.043332410        -2.277462221    
H         0.2708530254        -2.376680088        -2.825576760    
H         0.1974286492        -3.074641337        -1.458598178    
O          3.200155746         2.273104950        0.1470673856    
H          2.429961061         2.863565925        0.2037635098    
H          2.974508900         1.642469324       -0.5675673028    
O         0.5679355091        0.6751465759         2.435098004    
H          1.535954080        0.6352276224         2.505535481    
H         0.3676076915        0.3893434834         1.515250737    
O         -3.062295505       -0.8105967237        -2.230979461    
H         -2.837801281        0.6149001644E-01    -1.862230033    
H         -2.269257097        -1.066606198        -2.735331282    
    63
Energy=    -106.840637965960    
O         0.5752823353         1.139467945        -3.520352238    
H         0.1336796519         1.890600058        -3.096916616    
H          1.301417811        0.9001781084        -2.907687104    
O        -0.5504539970         3.071428554         2.140391457    
H         -1.451372488         2.802469066         1.891210556    
H        -0.1126987436         2.234074023         2.409485036    
O        -0.4139114201         3.356760854        -2.074967383    
H        -0.4171775918         4.168275375        -2.582849349    
H         0.1337033746         3.520567568        -1.273151049    
O         0.9234917964         3.886742205        0.1866283896    
H         0.3387496116         3.552826738        0.9375830174    
H          1.134841716         4.793488108        0.4102362325    
O         -3.232316183       -0.4192752009         2.146658345    
H         -2.490271953       -0.7333059592         2.710539745    
H         -3.275668411        -1.031644619         1.394648277    
O         -2.020392710         1.390443052        -1.033042826    
H         -1.579278796         2.145948328        -1.448802995    
H         -2.420437510         1.707392210       -0.1986452185    
O         -1.058865751        -1.232848125         3.499377112    
H        -0.4794782459       -0.4734408542         3.307377650    
H        -0.5692068803        -2.000861215         3.171212472    
O         0.6234315818        -3.140305316         2.314614244    
H          1.457349373        -2.686804395         2.015480738    
H         0.8952717708        -3.991002297         2.658150048    
O        -0.6662264562        -2.648765088        0.8959745964E-02
H         -1.635774035        -2.604631925        0.9296406251E-01
H        -0.2999691579        -2.917352483        0.8732215550    
O          3.006669043        -2.175503282        -1.354885061    
H          2.149792912        -2.539049397        -1.719644061    
H          3.706971548        -2.711085150        -1.726360362    
O          2.208564116        0.4113896982        -1.517923790    
H          2.659802022       -0.4487652139        -1.544633478    
H          1.413393238        0.2544325643       -0.9555127353    
O        -0.7188837952        -1.140031618        -3.642477445    
H        -0.8415678314        -1.305085401        -4.577483959    
H        -0.2594884029       -0.2577927482        -3.579898236    
O         -3.321072996        -2.175900599       -0.1910905849E-01
H         -3.267127017        -1.663236242       -0.8752080028    
H         -4.070258135        -2.765018056       -0.1035087983    
O          3.272396209        0.5959477415         2.150279500    
H          3.998272198        0.8301195204         2.727440873    
H          3.288133658         1.247764092         1.393480676    
O         -2.990672714         2.038695003         1.379620807    
H         -3.834055447         2.437558070         1.592438288    
H         -3.047189970         1.092243196         1.715925018    
O          2.837906485        -2.049662688         1.414457438    
H          3.000126836        -1.125699794         1.667798988    
H          2.888422970        -2.080661082        0.4433011733    
O         0.2650238967E-01   -0.7078678282E-01   -0.7576498767E-01
H        -0.7376834601        0.4173225712       -0.4487526460    
H        -0.2129680175        -1.024353269       -0.9150401245E-01
O         0.7252989054        -3.049815167        -2.277494312    
H         0.2715652213        -2.385240281        -2.827494137    
H         0.2007656080        -3.080567920        -1.458073423    
O          3.197549569         2.273484308        0.1470619649    
H          2.428559092         2.865340970        0.2043910365    
H          2.970442319         1.641986075       -0.5663201179    
O         0.5706123993        0.6713253731         2.441289368    
H          1.539038289        0.6311289742         2.509549529    
H         0.3681699140        0.3879233281         1.521439036    
O         -3.064342058       -0.8107359076        -2.233281678    
H         -2.839966252        0.6229204555E-01    -1.866229347    
H         -2.270886435        -1.069630044        -2.735728470    
    63
Energy=    -106.840627569920    
O         0.5692591066         1.137766034        -3.515141469    
H         0.1307690620         1.890102762        -3.090475700    
H          1.298838866        0.9014373165        -2.905184900    
O        -0.5485734983         3.069349780         2.141554345    
H         -1.449010917         2.800189124         1.890955188    
H        -0.1115169694         2.232050141         2.410997871    
O        -0.4108414642         3.357157196        -2.072370547    
H        -0.4016159662         4.164807176        -2.585827662    
H         0.1328146828         3.521510744        -1.267593519    
O         0.9217553254         3.888685546        0.1878684307    
H         0.3378848531         3.552401231        0.9386015385    
H          1.129108597         4.796200973        0.4127455736    
O         -3.229851206       -0.4182901609         2.145273143    
H         -2.488913895       -0.7331821053         2.709890271    
H         -3.274295054        -1.031670259         1.393993842    
O         -2.020512916         1.388930404        -1.035908684    
H         -1.580386192         2.145822728        -1.450275857    
H         -2.422763826         1.705430653       -0.2019230131    
O         -1.059494505        -1.234584646         3.500627694    
H        -0.4800364045       -0.4742241703         3.309902184    
H        -0.5693915755        -2.001639762         3.171374815    
O         0.6234193473        -3.139459930         2.312634684    
H          1.457036443        -2.685756570         2.013749983    
H         0.8946227487        -3.990188866         2.656745636    
O        -0.6658767087        -2.645839548        0.7896999544E-02
H         -1.635514573        -2.600677513        0.9274951897E-01
H        -0.3005268772        -2.915267006        0.8719974326    
O          3.006242077        -2.173877505        -1.356735611    
H          2.150134953        -2.538661879        -1.722056906    
H          3.707444696        -2.707846809        -1.728512776    
O          2.206601044        0.4116626255        -1.517325958    
H          2.657502410       -0.4485206985        -1.547180602    
H          1.412342757        0.2518712599       -0.9533820559    
O        -0.7202081613        -1.144719745        -3.641991779    
H        -0.8488117989        -1.308513748        -4.576403824    
H        -0.2612826778       -0.2623151723        -3.580118254    
O         -3.319974572        -2.173659049       -0.1908568813E-01
H         -3.265314563        -1.660576226       -0.8748502390    
H         -4.070133261        -2.761512635       -0.1033368237    
O          3.273845155        0.5959488899         2.150709184    
H          3.996114639        0.8368714078         2.729604054    
H          3.287572128         1.246276997         1.392657611    
O         -2.988787301         2.039428116         1.375622979    
H         -3.833005332         2.438773850         1.584786706    
H         -3.046866644         1.093444736         1.712713067    
O          2.836555325        -2.048168841         1.411932022    
H          3.003605913        -1.125505367         1.666582821    
H          2.890345460        -2.079413977        0.4407510387    
O         0.2691809489E-01   -0.6800363041E-01   -0.7339145904E-01
H        -0.7373664840        0.4184885182       -0.4484457160    
H        -0.2115332749        -1.021809257       -0.9090179641E-01
O         0.7278239250        -3.054399720        -2.278704324    
H         0.2714021004        -2.391643508        -2.828020776    
H         0.2048493643        -3.082764712        -1.457868132    
O          3.195526816         2.272890959        0.1473013885    
H          2.427454082         2.865770639        0.2039663565    
H          2.967470894         1.641767879       -0.5658902107    
O         0.5715939333        0.6692752725         2.445476976    
H          1.539711404        0.6291126688         2.513089359    
H         0.3690744932        0.3862690493         1.525617511    
O         -3.065787552       -0.8092268356        -2.233799590    
H         -2.838510214        0.6425484178E-01    -1.869351426    
H         -2.272425209        -1.071272065        -2.734805444    
    63
Energy=    -106.840624826330    
O         0.5675366942         1.136640874        -3.513840066    
H         0.1291622485         1.889133635        -3.089168450    
H          1.297586482        0.9007386744        -2.904303461    
O        -0.5483548423         3.068755850         2.142981503    
H         -1.448696855         2.799780602         1.891219024    
H        -0.1111404787         2.231240802         2.411748765    
O        -0.4095159272         3.357325302        -2.072051931    
H        -0.3965254414         4.164379539        -2.586439424    
H         0.1325255702         3.521136551        -1.266115539    
O         0.9212339441         3.888607091        0.1889274248    
H         0.3373888072         3.551914303        0.9395241088    
H          1.128167970         4.796261375        0.4135520771    
O         -3.229099174       -0.4177202989         2.144902396    
H         -2.488583267       -0.7330624506         2.709898906    
H         -3.273785646        -1.031483205         1.393857427    
O         -2.020097699         1.389064710        -1.036795331    
H         -1.580472553         2.146036992        -1.451302047    
H         -2.422832242         1.705134111       -0.2030383183    
O         -1.059622449        -1.234829265         3.501024177    
H        -0.4800443076       -0.4746417954         3.310672540    
H        -0.5696939185        -2.001855827         3.171692257    
O         0.6233565611        -3.139348621         2.312178186    
H          1.457169816        -2.685708081         2.013581903    
H         0.8945243037        -3.989938146         2.656652295    
O        -0.6659236757        -2.645341787        0.7547870865E-02
H         -1.635606117        -2.600140035        0.9234856457E-01
H        -0.3002671360        -2.914843260        0.8714671476    
O          3.006080578        -2.173026728        -1.357638022    
H          2.150030050        -2.538119274        -1.722872016    
H          3.707690746        -2.706340248        -1.729769425    
O          2.205772939        0.4117205021        -1.516816701    
H          2.657355612       -0.4480158807        -1.547390221    
H          1.411859732        0.2516410447       -0.9526924436    
O        -0.7212063026        -1.146409453        -3.642231539    
H        -0.8502935405        -1.309855344        -4.576625318    
H        -0.2621589264       -0.2640612110        -3.580163394    
O         -3.319663954        -2.173179659       -0.1901712941E-01
H         -3.264731892        -1.659775578       -0.8746459170    
H         -4.070231212        -2.760534133       -0.1032933875    
O          3.274298760        0.5963417211         2.150712611    
H          3.995346482        0.8390514714         2.730451306    
H          3.287157907         1.246603603         1.392528747    
O         -2.988003743         2.039851357         1.374772097    
H         -3.832327589         2.439478998         1.582730577    
H         -3.046298365         1.093707987         1.711553845    
O          2.835953023        -2.047605140         1.411354482    
H          3.004281765        -1.125325575         1.666453792    
H          2.890847103        -2.078780961        0.4402677296    
O         0.2678952588E-01   -0.6750048714E-01   -0.7298825841E-01
H        -0.7373871981        0.4189733119       -0.4482543776    
H        -0.2110742777        -1.021392791       -0.9092130566E-01
O         0.7280417837        -3.055246032        -2.279069585    
H         0.2713668334        -2.393445609        -2.829209457    
H         0.2057427351        -3.083168019        -1.457656415    
O          3.194939035         2.273028372        0.1473254680    
H          2.426687814         2.865799481        0.2042507846    
H          2.966863806         1.641901349       -0.5660785053    
O         0.5718014461        0.6686099598         2.446116620    
H          1.540000441        0.6288723694         2.513836623    
H         0.3689910847        0.3858108509         1.526175987    
O         -3.065890564       -0.8087033145        -2.233721594    
H         -2.837553539        0.6472867169E-01    -1.869828509    
H         -2.272957663        -1.072115652        -2.734859670    
    63
Energy=    -106.840608574720    
O         0.5620237982         1.131068041        -3.511657509    
H         0.1215378672         1.881764294        -3.086187204    
H          1.291240388        0.8947848266        -2.901272079    
O        -0.5473659279         3.066613437         2.148340743    
H         -1.446953244         2.798851509         1.893807411    
H        -0.1103987570         2.227729933         2.414664623    
O        -0.4059470501         3.357926037        -2.070311423    
H        -0.3745215124         4.163011195        -2.587216562    
H         0.1332716264         3.515487275        -1.261376260    
O         0.9189993242         3.886342862        0.1953157064    
H         0.3349975396         3.551329338        0.9469982685    
H          1.125487656         4.794630511        0.4171814155    
O         -3.225887088       -0.4150245366         2.142921390    
H         -2.488127365       -0.7323170903         2.710404795    
H         -3.271494578        -1.030625639         1.393478554    
O         -2.018462277         1.390623388        -1.041508058    
H         -1.579747587         2.147838510        -1.456139247    
H         -2.420378477         1.705812343       -0.2069530298    
O         -1.060305977        -1.235515296         3.503179934    
H        -0.4791725599       -0.4762939829         3.313916638    
H        -0.5715432188        -2.003004932         3.173204888    
O         0.6230641398        -3.139486309         2.312678352    
H          1.456518337        -2.685981586         2.013617894    
H         0.8947134389        -3.989791866         2.657401101    
O        -0.6657999422        -2.644021990        0.3979178901E-02
H         -1.635411171        -2.600535528        0.9066382046E-01
H        -0.2987536165        -2.912382479        0.8676581526    
O          3.005605287        -2.167101656        -1.363388837    
H          2.149982819        -2.535326916        -1.726512812    
H          3.707651066        -2.699575112        -1.735761101    
O          2.202983593        0.4130301789        -1.515362766    
H          2.657245975       -0.4454750055        -1.545542327    
H          1.410132103        0.2515894204       -0.9504986110    
O        -0.7255628366        -1.153682481        -3.643636411    
H        -0.8548226543        -1.315183868        -4.578349855    
H        -0.2669746000       -0.2714008652        -3.579162922    
O         -3.318736391        -2.170807371       -0.1883104818E-01
H         -3.263325147        -1.656755599       -0.8744116506    
H         -4.070636685        -2.756243880       -0.1039621504    
O          3.276473840        0.5979429059         2.150359392    
H          3.992083280        0.8487006733         2.733380505    
H          3.284611815         1.250647765         1.394111577    
O         -2.984738904         2.041226143         1.369003778    
H         -3.828599675         2.442109091         1.576163913    
H         -3.043261660         1.096065387         1.708628779    
O          2.836852706        -2.045918317         1.409763641    
H          3.004383414        -1.124118448         1.666255097    
H          2.891663311        -2.074640990        0.4386575306    
O         0.2539651491E-01   -0.6622755906E-01   -0.6959391384E-01
H        -0.7379310799        0.4199733905       -0.4469219258    
H        -0.2094964314        -1.021008919       -0.9225375020E-01
O         0.7294141599        -3.057057224        -2.279357898    
H         0.2701532156        -2.401243660        -2.834421785    
H         0.2063139519        -3.082277572        -1.458489635    
O          3.192561235         2.274481383        0.1460837567    
H          2.422836294         2.864932558        0.2069405984    
H          2.963944919         1.643567349       -0.5673907627    
O         0.5719428357        0.6668382458         2.447322845    
H          1.540234118        0.6280707551         2.514818719    
H         0.3695517206        0.3843343365         1.526961757    
O         -3.064951765       -0.8078592701        -2.231286633    
H         -2.832343297        0.6586950527E-01    -1.870725660    
H         -2.275709711        -1.075549042        -2.735871444    
    63
Energy=    -106.840605982430    
O         0.5593609002         1.130825329        -3.509756065    
H         0.1203185656         1.881841448        -3.083144166    
H          1.290363149        0.8952792144        -2.901081248    
O        -0.5465867416         3.065920434         2.148366780    
H         -1.446788591         2.798313098         1.893128569    
H        -0.1101933637         2.227307044         2.414221294    
O        -0.4076806852         3.359278383        -2.070169640    
H        -0.3734729673         4.163650633        -2.587906032    
H         0.1330441362         3.515358472        -1.261779970    
O         0.9182791653         3.885659747        0.1950119724    
H         0.3344078395         3.551518186        0.9473062288    
H          1.125746861         4.793818775        0.4169654484    
O         -3.225785585       -0.4148250020         2.142855915    
H         -2.488331578       -0.7320738458         2.710565494    
H         -3.271472490        -1.030564620         1.393408542    
O         -2.017681980         1.390759649        -1.042387677    
H         -1.580325848         2.149010779        -1.456984841    
H         -2.419623350         1.706037571       -0.2077613002    
O         -1.060390626        -1.235150838         3.503521499    
H        -0.4790614775       -0.4765544197         3.314353809    
H        -0.5718664829        -2.003290998         3.173419797    
O         0.6231165627        -3.139674575         2.312641950    
H          1.456508484        -2.686314280         2.014058562    
H         0.8943616834        -3.990217860         2.657500561    
O        -0.6660052475        -2.643451293        0.3607679674E-02
H         -1.635576640        -2.600597490        0.9047092505E-01
H        -0.2985824678        -2.911837161        0.8671227833    
O          3.005908203        -2.167462913        -1.363933281    
H          2.150195006        -2.535531654        -1.727053629    
H          3.707758419        -2.699607855        -1.736858529    
O          2.203720649        0.4124513947        -1.515379381    
H          2.657528932       -0.4462539388        -1.544384467    
H          1.410621276        0.2515245512       -0.9502158055    
O        -0.7256004279        -1.154804475        -3.643355156    
H        -0.8544336567        -1.314779014        -4.578337573    
H        -0.2683100178       -0.2719714218        -3.577374222    
O         -3.318538192        -2.170261119       -0.1916025487E-01
H         -3.262747148        -1.656100249       -0.8746014255    
H         -4.070381412        -2.755634383       -0.1044747035    
O          3.276528725        0.5985499735         2.150428383    
H          3.991783462        0.8500108398         2.733651491    
H          3.284573212         1.250867290         1.393915124    
O         -2.984348583         2.041080837         1.367872987    
H         -3.828316484         2.442099646         1.574882990    
H         -3.043024169         1.096250234         1.708159930    
O          2.837271159        -2.046518487         1.409152145    
H          3.004704952        -1.124304515         1.666461223    
H          2.892246333        -2.074733714        0.4385429333    
O         0.2553672222E-01   -0.6567617885E-01   -0.6904231803E-01
H        -0.7381080632        0.4200969264       -0.4465569204    
H        -0.2097480453        -1.020309812       -0.9210708291E-01
O         0.7299591043        -3.057623116        -2.279541642    
H         0.2701676208        -2.402602647        -2.834714020    
H         0.2062693629        -3.082155475        -1.458617844    
O          3.192139962         2.274711541        0.1461388477    
H          2.421948707         2.864611580        0.2068802657    
H          2.963616617         1.643605069       -0.5670627939    
O         0.5724731196        0.6664892271         2.448044088    
H          1.540797293        0.6279449105         2.514996167    
H         0.3697552167        0.3841231029         1.527658881    
O         -3.064728385       -0.8075329226        -2.231153882    
H         -2.831139772        0.6605109688E-01    -1.870911008    
H         -2.275649819        -1.075873106        -2.735996909    
    63
Energy=    -106.840587661730    
O         0.5502034785         1.121341433        -3.506161487    
H         0.1109061824         1.873292558        -3.081887127    
H          1.282205518        0.8871015429        -2.898248287    
O        -0.5482466364         3.063910903         2.157600820    
H         -1.446411318         2.796899127         1.896240328    
H        -0.1105164952         2.223461513         2.418013343    
O        -0.4037290744         3.360620992        -2.070117461    
H        -0.3528897812         4.163703641        -2.588575011    
H         0.1342509623         3.509657996        -1.258849412    
O         0.9158007547         3.881026104        0.2010638745    
H         0.3334443158         3.549474284        0.9559001354    
H          1.126786946         4.789114806        0.4194450433    
O         -3.224884626       -0.4121396617         2.142756719    
H         -2.487396429       -0.7286865065         2.710827161    
H         -3.268974310        -1.027399681         1.392725753    
O         -2.012731738         1.393765816        -1.046495288    
H         -1.579660057         2.152966756        -1.463244761    
H         -2.414943571         1.709302706       -0.2123596129    
O         -1.060551566        -1.235977110         3.507164718    
H        -0.4782866483       -0.4780705812         3.316897708    
H        -0.5744979079        -2.004693304         3.175512825    
O         0.6229833853        -3.140480911         2.311474487    
H          1.457103780        -2.686975497         2.014934664    
H         0.8939518568        -3.989867380         2.658907859    
O        -0.6645292856        -2.643675377        0.1824518628E-02
H         -1.634413319        -2.602187547        0.8673957941E-01
H        -0.2966376213        -2.912035058        0.8650134721    
O          3.006872363        -2.164733172        -1.366873664    
H          2.150935269        -2.531335850        -1.730655048    
H          3.709086777        -2.692457976        -1.745950700    
O          2.201968923        0.4149066906        -1.514376013    
H          2.657341125       -0.4431686492        -1.541101681    
H          1.409940900        0.2548876628       -0.9478365169    
O        -0.7301384999        -1.163340595        -3.645933486    
H        -0.8549710986        -1.318216394        -4.582317535    
H        -0.2750740151       -0.2795447169        -3.574827799    
O         -3.317742545        -2.169477938       -0.1878768339E-01
H         -3.261574153        -1.653204896       -0.8730485896    
H         -4.071622519        -2.752313750       -0.1053617719    
O          3.273712175        0.6060755237         2.152576660    
H          3.988289112        0.8586552620         2.736109662    
H          3.285037699         1.254709915         1.392472609    
O         -2.979759750         2.042904771         1.364015136    
H         -3.823960444         2.443999704         1.569229829    
H         -3.038682280         1.097976696         1.703999923    
O          2.837374462        -2.044489659         1.407859433    
H          3.004680630        -1.123363003         1.666998178    
H          2.892230706        -2.071601970        0.4369203482    
O         0.2475295726E-01   -0.6644383017E-01   -0.7040388319E-01
H        -0.7383148804        0.4219962905       -0.4449979443    
H        -0.2129097404        -1.020342791       -0.9197606107E-01
O         0.7284820748        -3.060500847        -2.281458317    
H         0.2696204309        -2.407699613        -2.840262102    
H         0.2050789249        -3.080464588        -1.460477302    
O          3.188426581         2.277384478        0.1475128001    
H          2.416050705         2.864579960        0.2098334577    
H          2.961798002         1.646682309       -0.5669144303    
O         0.5744721872        0.6644792803         2.448850759    
H          1.543406644        0.6275562643         2.513337294    
H         0.3692556230        0.3833781795         1.529104264    
O         -3.063996283       -0.8063392221        -2.231924087    
H         -2.825316848        0.6513537609E-01    -1.870004687    
H         -2.276576908        -1.078962868        -2.736926130    
    63
Energy=    -106.840585042270    
O         0.5504813756         1.119030636        -3.507466866    
H         0.1099144306         1.870792219        -3.084466424    
H          1.281156010        0.8844443670        -2.898121913    
O        -0.5486751016         3.063850094         2.160038567    
H         -1.446746477         2.796984918         1.898014698    
H        -0.1111210382         2.223226247         2.419723758    
O        -0.4006575094         3.359513528        -2.070238385    
H        -0.3481572996         4.162925509        -2.588279310    
H         0.1349129907         3.508408931        -1.257506330    
O         0.9157668589         3.880490250        0.2031288857    
H         0.3336466562         3.548828680        0.9580627552    
H          1.126686262         4.788685900        0.4206955944    
O         -3.224471549       -0.4114974171         2.142566359    
H         -2.486977390       -0.7280919463         2.710814344    
H         -3.268344877        -1.026688501         1.392718734    
O         -2.012465321         1.394334039        -1.046716058    
H         -1.578745639         2.152717481        -1.464054805    
H         -2.414506855         1.710054209       -0.2126704180    
O         -1.060482487        -1.236180437         3.507595184    
H        -0.4782863971       -0.4784616346         3.317254605    
H        -0.5747582827        -2.004870085         3.175812594    
O         0.6230508948        -3.140312543         2.311319855    
H          1.457066590        -2.686818668         2.014533453    
H         0.8941899125        -3.989389975         2.659173664    
O        -0.6641425653        -2.644259232        0.1428314485E-02
H         -1.633792903        -2.602711605        0.8619083159E-01
H        -0.2964120798        -2.912756109        0.8651329475    
O          3.006657289        -2.163361682        -1.367399146    
H          2.150860745        -2.530258546        -1.731041562    
H          3.709088607        -2.690268862        -1.747263236    
O          2.200834964        0.4163260568        -1.514064561    
H          2.656902287       -0.4414241855        -1.541254158    
H          1.408998989        0.2557588606       -0.9474156733    
O        -0.7314026286        -1.164514876        -3.647172394    
H        -0.8557661480        -1.319931522        -4.583556867    
H        -0.2756133324       -0.2812085014        -3.576035615    
O         -3.317789876        -2.169666750       -0.1844597478E-01
H         -3.261916465        -1.653233630       -0.8725402255    
H         -4.072091445        -2.751974328       -0.1049736026    
O          3.273348215        0.6069476619         2.152768446    
H          3.987549603        0.8597985407         2.736567474    
H          3.284943814         1.255650801         1.392629586    
O         -2.978840684         2.043422636         1.363828433    
H         -3.823071208         2.444555175         1.569080524    
H         -3.037879954         1.098301916         1.703532425    
O          2.837018876        -2.043443981         1.407898067    
H          3.004326846        -1.122494828         1.666919440    
H          2.891513570        -2.070531708        0.4369161139    
O         0.2450721771E-01   -0.6680841889E-01   -0.7065789166E-01
H        -0.7382859763        0.4223250351       -0.4451992900    
H        -0.2134252077        -1.021320163       -0.9222069873E-01
O         0.7281259831        -3.060391938        -2.281977096    
H         0.2692958182        -2.407961166        -2.841289895    
H         0.2048360442        -3.080152242        -1.460834786    
O          3.188025379         2.277781369        0.1474379057    
H          2.415507897         2.864844372        0.2107142711    
H          2.961619589         1.647624975       -0.5670240252    
O         0.5742021724        0.6643661050         2.448610754    
H          1.543289155        0.6276948565         2.512654809    
H         0.3690058380        0.3831606007         1.528382853    
O         -3.064094238       -0.8064207205        -2.231742911    
H         -2.824961444        0.6483530006E-01    -1.869790538    
H         -2.276937396        -1.079517468        -2.737216111    
    63
Energy=    -106.840581377570    
O         0.5483404350         1.116353841        -3.507417225    
H         0.1080798233         1.868616289        -3.084760955    
H          1.279846836        0.8820747279        -2.898718418    
O        -0.5490378982         3.063418353         2.162403984    
H         -1.446884317         2.796755965         1.900209173    
H        -0.1118383592         2.222766620         2.422326277    
O        -0.3973451910         3.359083808        -2.071154421    
H        -0.3433329929         4.162612969        -2.589003873    
H         0.1353605415         3.507951823        -1.256496806    
O         0.9151410831         3.879201593        0.2048713707    
H         0.3335132130         3.547791772        0.9603639072    
H          1.127384989         4.787182835        0.4220765199    
O         -3.223850697       -0.4102644173         2.142306254    
H         -2.486626638       -0.7270417320         2.711049516    
H         -3.267828336        -1.025729871         1.392872744    
O         -2.011667712         1.395372683        -1.047193574    
H         -1.578000327         2.153040369        -1.465504978    
H         -2.413656492         1.711479429       -0.2133461380    
O         -1.060518965        -1.236342938         3.507767901    
H        -0.4780421661       -0.4789947199         3.317871523    
H        -0.5752947470        -2.004860804         3.176456800    
O         0.6231406502        -3.139479076         2.310739867    
H          1.457117863        -2.686942791         2.013988454    
H         0.8942010356        -3.989581201         2.659617518    
O        -0.6635244857        -2.644852556        0.1378814782E-02
H         -1.633174123        -2.603601462        0.8570059074E-01
H        -0.2964991593        -2.914078845        0.8653844304    
O          3.006510604        -2.162687928        -1.368001791    
H          2.150879932        -2.529992899        -1.731434734    
H          3.709095708        -2.687806785        -1.749777401    
O          2.200344051        0.4178020349        -1.513385593    
H          2.656533668       -0.4400614105        -1.540647951    
H          1.408345054        0.2571964487       -0.9469597431    
O        -0.7330624291        -1.166723750        -3.648950055    
H        -0.8559036495        -1.321618944        -4.585605684    
H        -0.2773564766       -0.2835142997        -3.576066254    
O         -3.317931142        -2.169769723       -0.1827851663E-01
H         -3.262075059        -1.653201237       -0.8722851349    
H         -4.072239608        -2.751388516       -0.1046259040    
O          3.273336390        0.6078910567         2.152792163    
H          3.986295382        0.8615855635         2.737298010    
H          3.284766904         1.256884322         1.392747008    
O         -2.977580616         2.043732716         1.363172972    
H         -3.821796949         2.444976546         1.568328397    
H         -3.036985793         1.098357578         1.702757260    
O          2.836453127        -2.042183354         1.408166465    
H          3.004255112        -1.121506157         1.666697511    
H          2.890973723        -2.069872670        0.4370110150    
O         0.2416003280E-01   -0.6692279144E-01   -0.7034601717E-01
H        -0.7379372073        0.4229858363       -0.4458431582    
H        -0.2146559940        -1.021803743       -0.9219496093E-01
O         0.7284851364        -3.060231889        -2.282670140    
H         0.2689063922        -2.408565392        -2.842532736    
H         0.2049933949        -3.080267422        -1.461609618    
O          3.187671482         2.278890326        0.1474614811    
H          2.414297145         2.865060751        0.2116840171    
H          2.961443385         1.648802262       -0.5665609867    
O         0.5740370736        0.6637725442         2.448733572    
H          1.543439262        0.6282569283         2.511727365    
H         0.3688651966        0.3826146103         1.527976060    
O         -3.063825179       -0.8065578291        -2.231411319    
H         -2.824031321        0.6487153084E-01    -1.869894695    
H         -2.277199489        -1.080179380        -2.737750680    
    63
Energy=    -106.840557150570    
O         0.5373384968         1.108852611        -3.501903266    
H         0.1027754725         1.865700882        -3.082175879    
H          1.273705436        0.8804500761        -2.896845082    
O        -0.5477266264         3.061802523         2.165990846    
H         -1.447023479         2.795512378         1.903718014    
H        -0.1131451516         2.221229494         2.428885199    
O        -0.3914880450         3.359648834        -2.074325283    
H        -0.3341975975         4.163121599        -2.591260190    
H         0.1360092310         3.507467581        -1.255670810    
O         0.9126421856         3.873845910        0.2069912301    
H         0.3323281494         3.545463188        0.9650052727    
H          1.130801937         4.780856288        0.4230308736    
O         -3.221929605       -0.4066132802         2.141419998    
H         -2.486299326       -0.7239141771         2.712351932    
H         -3.267494853        -1.023419394         1.393926488    
O         -2.008296599         1.397718796        -1.049550120    
H         -1.577347185         2.156010635        -1.469691694    
H         -2.410724630         1.715950341       -0.2152542756    
O         -1.062274765        -1.236090896         3.507934371    
H        -0.4760776048       -0.4794172527         3.319341475    
H        -0.5764213249        -2.005129222         3.178300060    
O         0.6235745789        -3.139907587         2.310026439    
H          1.457968314        -2.687350423         2.013049248    
H         0.8928071443        -3.989216032         2.659900040    
O        -0.6632949896        -2.645341113        0.2535473165E-02
H         -1.632189574        -2.606321281        0.8543841953E-01
H        -0.2976728809        -2.917973756        0.8656943739    
O          3.006217805        -2.163825347        -1.368523032    
H          2.150826610        -2.532195164        -1.731632669    
H          3.709095058        -2.683396516        -1.757328157    
O          2.201499797        0.4200596512        -1.512471237    
H          2.654992760       -0.4393374205        -1.540782477    
H          1.408772454        0.2604767387       -0.9465682545    
O        -0.7365741431        -1.173619993        -3.652662066    
H        -0.8537978708        -1.322565533        -4.590882594    
H        -0.2831501258       -0.2895023255        -3.572636434    
O         -3.317408127        -2.169215508       -0.1847875654E-01
H         -3.261059616        -1.653437962       -0.8731992502    
H         -4.072408411        -2.750166985       -0.1040148157    
O          3.273799922        0.6101496462         2.152161476    
H          3.983412482        0.8667007197         2.739731971    
H          3.283993344         1.259802907         1.393062735    
O         -2.975017890         2.043556398         1.361029143    
H         -3.818975009         2.444998872         1.565414135    
H         -3.035162822         1.098239220         1.700506763    
O          2.834634495        -2.040193497         1.408474075    
H          3.005155572        -1.118786199         1.665695808    
H          2.891491112        -2.070616380        0.4378092737    
O         0.2245787736E-01   -0.6708250909E-01   -0.6933471702E-01
H        -0.7354778785        0.4245453625       -0.4490054058    
H        -0.2182258105        -1.018819913       -0.9189153760E-01
O         0.7314405804        -3.058513588        -2.285218824    
H         0.2686284111        -2.409728878        -2.844618803    
H         0.2067846462        -3.082288193        -1.464750009    
O          3.187212273         2.284032252        0.1485576387    
H          2.409392260         2.865663677        0.2143541529    
H          2.960215168         1.652138880       -0.5644022017    
O         0.5744287119        0.6605028339         2.448533523    
H          1.543852132        0.6307271918         2.509854701    
H         0.3691839668        0.3810859777         1.530219763    
O         -3.061575972       -0.8063614617        -2.230268762    
H         -2.821503610        0.6554851260E-01    -1.871230550    
H         -2.276985754        -1.080754590        -2.738858273    
    63
Energy=    -106.840532210320    
O         0.5340097897         1.097850180        -3.505312935    
H         0.1007724227         1.857098063        -3.087643936    
H          1.269887319        0.8707056786        -2.898742368    
O        -0.5496550876         3.061305426         2.180946484    
H         -1.446921520         2.796125981         1.914070239    
H        -0.1150950188         2.219043806         2.440516082    
O        -0.3783578765         3.356936853        -2.076846688    
H        -0.3137366494         4.159751453        -2.593962119    
H         0.1421876460         3.506152890        -1.254503078    
O         0.9093890730         3.868933671        0.2152660124    
H         0.3300301006         3.540837423        0.9739018364    
H          1.132550507         4.774051820        0.4330303106    
O         -3.220507165       -0.4047241116         2.142402648    
H         -2.483353536       -0.7202829535         2.711553699    
H         -3.264471587        -1.021445298         1.393572237    
O         -2.010233091         1.402146658        -1.054141692    
H         -1.570716299         2.156812957        -1.471663123    
H         -2.405185899         1.720621021       -0.2177899445    
O         -1.061099424        -1.235996345         3.509451803    
H        -0.4762690833       -0.4802762842         3.319570520    
H        -0.5776633940        -2.006363859         3.178142578    
O         0.6222252694        -3.139221115         2.312287689    
H          1.454455259        -2.685464858         2.010956140    
H         0.8953148266        -3.987718396         2.660422433    
O        -0.6632511883        -2.653366533        0.6400115181E-03
H         -1.632893630        -2.609496296        0.8609932829E-01
H        -0.2969093565        -2.921152565        0.8647935340    
O          3.004931030        -2.157187410        -1.370375669    
H          2.150077973        -2.529740313        -1.730310866    
H          3.708733721        -2.670731657        -1.765731292    
O          2.196253639        0.4250398268        -1.512614176    
H          2.650478571       -0.4338213010        -1.541463205    
H          1.406605991        0.2638319350       -0.9431606947    
O        -0.7440659147        -1.184381269        -3.661970888    
H        -0.8556022476        -1.331918124        -4.601244153    
H        -0.2901368553       -0.3011011615        -3.580002622    
O         -3.317615005        -2.169926543       -0.1585956057E-01
H         -3.260765067        -1.656138287       -0.8715304124    
H         -4.073967292        -2.749937575       -0.9969526149E-01
O          3.274927390        0.6125123498         2.149979757    
H          3.978577812        0.8724169349         2.743407822    
H          3.284225260         1.266374517         1.394134444    
O         -2.971195337         2.047046151         1.359678859    
H         -3.815507966         2.447254297         1.565564832    
H         -3.030618965         1.101368762         1.698133035    
O          2.834992181        -2.035240822         1.409479232    
H          3.002139413        -1.112661194         1.663182346    
H          2.888258244        -2.067056602        0.4390477647    
O         0.2173037013E-01   -0.6730494849E-01   -0.7174375631E-01
H        -0.7353918003        0.4253936035       -0.4524533166    
H        -0.2193321796        -1.020392846       -0.9165007177E-01
O         0.7313864665        -3.057953058        -2.289222727    
H         0.2661401405        -2.409012887        -2.847674696    
H         0.2097199167        -3.083177381        -1.467728271    
O          3.186456544         2.288176388        0.1513972501    
H          2.408521909         2.868138030        0.2189993292    
H          2.961908014         1.658481149       -0.5638811758    
O         0.5729085667        0.6620702555         2.447289888    
H          1.542364640        0.6317626502         2.507841073    
H         0.3653860601        0.3782568916         1.528708878    
O         -3.061257319       -0.8064586674        -2.228852874    
H         -2.819536800        0.6607330932E-01    -1.872134121    
H         -2.279722410        -1.082162667        -2.741052922    
    63
Energy=    -106.840511128880    
O         0.5330038506         1.090197285        -3.509481217    
H         0.9951835841E-01     1.850203637        -3.094652845    
H          1.266099806        0.8613428440        -2.900162583    
O        -0.5504661261         3.062543357         2.196809880    
H         -1.447327792         2.798096765         1.926467478    
H        -0.1159665118         2.218799012         2.451044066    
O        -0.3662952511         3.355630125        -2.079515993    
H        -0.2952718596         4.156282247        -2.599875468    
H         0.1522911626         3.503142802        -1.256092326    
O         0.9054027919         3.864126560        0.2251721012    
H         0.3244750402         3.535588791        0.9833404945    
H          1.132772289         4.767263687        0.4475498496    
O         -3.217259465       -0.4025827055         2.141342248    
H         -2.480858491       -0.7192090391         2.710900811    
H         -3.262155000        -1.020740507         1.393784275    
O         -2.008112765         1.406219274        -1.057844069    
H         -1.562327955         2.159443058        -1.473166599    
H         -2.402267861         1.724534750       -0.2205716495    
O         -1.060450780        -1.235814994         3.510554557    
H        -0.4758348676       -0.4805489693         3.318951449    
H        -0.5779936634        -2.006652036         3.176935053    
O         0.6212134607        -3.138966248         2.312891600    
H          1.450955577        -2.680663323         2.012517890    
H         0.8994458587        -3.985795946         2.660923150    
O        -0.6641256387        -2.657500522       -0.1444235269E-02
H         -1.633506720        -2.613800092        0.8722317762E-01
H        -0.2963817893        -2.923876176        0.8624107438    
O          3.002947451        -2.150675925        -1.370187764    
H          2.149375486        -2.524192799        -1.730923145    
H          3.708940536        -2.655869403        -1.772724114    
O          2.194399270        0.4288562271        -1.511008500    
H          2.648164314       -0.4302913940        -1.541556736    
H          1.404988533        0.2682593556       -0.9417887554    
O        -0.7511865677        -1.193241385        -3.674106665    
H        -0.8595642472        -1.346698495        -4.612992130    
H        -0.2961861937       -0.3109367512        -3.590902731    
O         -3.316930738        -2.171310641       -0.1249863017E-01
H         -3.260923673        -1.658731642       -0.8681328502    
H         -4.074755131        -2.749948318       -0.9383125347E-01
O          3.272948560        0.6168828739         2.150456973    
H          3.973578702        0.8759603724         2.746861729    
H          3.286765558         1.271047726         1.394343790    
O         -2.967295887         2.050844978         1.359546334    
H         -3.812466866         2.450502288         1.566495439    
H         -3.026687017         1.104992461         1.697038525    
O          2.831291290        -2.030310535         1.409748222    
H          2.999025807        -1.108033759         1.661683004    
H          2.886761429        -2.063548099        0.4383505718    
O         0.1777263063E-01   -0.6989317679E-01   -0.7254920384E-01
H        -0.7392800454        0.4222832996       -0.4555347515    
H        -0.2195387503        -1.023613214       -0.9411953127E-01
O         0.7318588970        -3.057079355        -2.291292424    
H         0.2632083605        -2.410414177        -2.849878668    
H         0.2104274256        -3.085308512        -1.469583082    
O          3.188097101         2.292879428        0.1527439513    
H          2.408632388         2.870760708        0.2229896725    
H          2.965030569         1.664188424       -0.5640947063    
O         0.5709078905        0.6614157941         2.446215304    
H          1.541372791        0.6306908906         2.505183110    
H         0.3620910803        0.3792998806         1.528516932    
O         -3.062612841       -0.8068107898        -2.227143066    
H         -2.819128105        0.6597451998E-01    -1.873571136    
H         -2.284094562        -1.084436892        -2.744256072    
    63
Energy=    -106.840440189300    
O         0.5263570996         1.076524322        -3.509812434    
H         0.9958571772E-01     1.843870518        -3.101095082    
H          1.259347279        0.8528089882        -2.898452227    
O        -0.5504323259         3.063890519         2.213369598    
H         -1.447765698         2.801885145         1.943196014    
H        -0.1152420766         2.219487431         2.464381154    
O        -0.3554928914         3.357621727        -2.084822406    
H        -0.2747757992         4.154061686        -2.609263520    
H         0.1640786465         3.502956308        -1.261890055    
O         0.8998191697         3.855464810        0.2380375597    
H         0.3162417869         3.529546627        0.9948627312    
H          1.132412990         4.755272247        0.4678643826    
O         -3.211143200       -0.3989034688         2.138591245    
H         -2.478514632       -0.7189982330         2.711253916    
H         -3.260679256        -1.020515110         1.394339079    
O         -2.001272973         1.411282781        -1.062672293    
H         -1.554050822         2.165344348        -1.473270289    
H         -2.397876808         1.730104380       -0.2272367182    
O         -1.059881441        -1.235547991         3.510493641    
H        -0.4746295737       -0.4804117848         3.318042675    
H        -0.5785559746        -2.005792233         3.175631086    
O         0.6200448830        -3.139734333         2.311997112    
H          1.447000975        -2.672771371         2.017452777    
H         0.9048231814        -3.983718212         2.661626126    
O        -0.6654537932        -2.659729607       -0.3225011099E-02
H         -1.634742018        -2.618973920        0.8786708019E-01
H        -0.2948102236        -2.927277401        0.8589752017    
O          3.000904534        -2.143629856        -1.369311317    
H          2.148277566        -2.518160950        -1.732370714    
H          3.709688048        -2.636567758        -1.781687665    
O          2.194951964        0.4327215472        -1.509032145    
H          2.644793893       -0.4287447261        -1.541721914    
H          1.405996499        0.2721363713       -0.9393612894    
O        -0.7591000199        -1.205234238        -3.687831407    
H        -0.8615475724        -1.362908838        -4.626321350    
H        -0.3047561909       -0.3223335690        -3.610873134    
O         -3.315377292        -2.173974248       -0.8620073719E-02
H         -3.260543231        -1.660481144       -0.8638460054    
H         -4.075154637        -2.750222750       -0.8550449490E-01
O          3.269664819        0.6229237204         2.151930405    
H          3.967747076        0.8794788980         2.753163547    
H          3.289323439         1.275050650         1.394893033    
O         -2.963633633         2.055176791         1.359623058    
H         -3.807932509         2.454500801         1.566793009    
H         -3.022273612         1.109207643         1.696526184    
O          2.823808760        -2.024843759         1.408230521    
H          2.995743511        -1.102903184         1.660820181    
H          2.887312771        -2.061530607        0.4385537042    
O         0.1343056537E-01   -0.7267289836E-01   -0.7448486098E-01
H        -0.7451855164        0.4146257468       -0.4590685260    
H        -0.2221925977        -1.026778023       -0.9940690495E-01
O         0.7342668457        -3.054238370        -2.291606005    
H         0.2592678731        -2.414372991        -2.852331571    
H         0.2097285174        -3.090117104        -1.472201300    
O          3.193524324         2.302531831        0.1507739990    
H          2.407901342         2.871603414        0.2274336038    
H          2.968946022         1.671908228       -0.5631144512    
O         0.5705115837        0.6584364104         2.447320929    
H          1.540424641        0.6287408976         2.501852453    
H         0.3575172467        0.3827186148         1.527833295    
O         -3.064107174       -0.8085984583        -2.224805626    
H         -2.818429079        0.6607515518E-01    -1.876407288    
H         -2.291379892        -1.086513823        -2.748571743    
    63
Energy=    -106.840429321860    
O         0.5282790981         1.072551039        -3.513934162    
H         0.1001728854         1.838803604        -3.105030208    
H          1.259947177        0.8464951878        -2.901056972    
O        -0.5518396882         3.064510083         2.219035091    
H         -1.449595529         2.802659934         1.949923642    
H        -0.1160955393         2.220055876         2.468389872    
O        -0.3488568552         3.356811258        -2.087464868    
H        -0.2667228333         4.153539185        -2.611315371    
H         0.1639887322         3.504834292        -1.261160590    
O         0.8997322655         3.855144991        0.2429863743    
H         0.3163983179         3.527154244        0.9990488340    
H          1.130959209         4.754508363        0.4753202362    
O         -3.209879733       -0.3982272734         2.138185471    
H         -2.477429582       -0.7189551719         2.710934997    
H         -3.259285091        -1.019652396         1.393806111    
O         -2.001637406         1.412383843        -1.063355931    
H         -1.551599398         2.164798358        -1.472970327    
H         -2.397551744         1.731148854       -0.2278732298    
O         -1.059504928        -1.236064076         3.511019091    
H        -0.4751273968       -0.4808555055         3.318187757    
H        -0.5785197138        -2.006348264         3.175067147    
O         0.6197825931        -3.139162243         2.312181072    
H          1.445932240        -2.671131892         2.016919524    
H         0.9064166740        -3.982401461         2.661945527    
O        -0.6637937085        -2.662065211       -0.4367517211E-02
H         -1.632722711        -2.618859843        0.8586649053E-01
H        -0.2930655672        -2.927585492        0.8587176544    
O          3.000728523        -2.138883620        -1.371018605    
H          2.148464027        -2.514669240        -1.733324396    
H          3.710153738        -2.630370114        -1.783398016    
O          2.193222489        0.4356803290        -1.507171396    
H          2.644412845       -0.4251791736        -1.538624935    
H          1.404319628        0.2734146834       -0.9376016151    
O        -0.7614708593        -1.206639705        -3.691760240    
H        -0.8636529460        -1.369742200        -4.628938311    
H        -0.3053450280       -0.3243998521        -3.619847840    
O         -3.315688871        -2.175187324       -0.7174400207E-02
H         -3.262517166        -1.659944505       -0.8613895567    
H         -4.076162892        -2.750295718       -0.8382232697E-01
O          3.269451519        0.6234062261         2.151848241    
H          3.966078054        0.8802662141         2.754829375    
H          3.289151076         1.276807679         1.395832588    
O         -2.962069537         2.056553756         1.359633995    
H         -3.805636472         2.456410403         1.567467847    
H         -3.020699971         1.110376042         1.696382808    
O          2.822921477        -2.022614013         1.408705969    
H          2.993956742        -1.101139913         1.661268066    
H          2.884949767        -2.058618091        0.4388137210    
O         0.1266101613E-01   -0.7563297799E-01   -0.7550616745E-01
H        -0.7459208489        0.4132589673       -0.4574206847    
H        -0.2231672637        -1.029926437       -0.1004664562    
O         0.7324923667        -3.054617534        -2.290817207    
H         0.2576502573        -2.416835626        -2.853926387    
H         0.2075458625        -3.089021992        -1.471817562    
O          3.195453790         2.303190818        0.1490257413    
H          2.409291697         2.870490901        0.2281749484    
H          2.970043880         1.672438500       -0.5648002543    
O         0.5695757801        0.6591154483         2.445229929    
H          1.539567205        0.6275810830         2.500384208    
H         0.3563137112        0.3841241657         1.525797903    
O         -3.065432705       -0.8090483295        -2.223857811    
H         -2.817956846        0.6459586848E-01    -1.876337048    
H         -2.294554710        -1.088277398        -2.749870357    
    63
Energy=    -106.840403508320    
O         0.5319255054         1.068444549        -3.520936199    
H         0.1015232421         1.832879304        -3.111717730    
H          1.261483771        0.8407343841        -2.906238513    
O        -0.5535598224         3.065475497         2.225530075    
H         -1.451362586         2.803472219         1.956610779    
H        -0.1174459819         2.220618571         2.472509561    
O        -0.3391144820         3.352497955        -2.088706944    
H        -0.2565765159         4.150005104        -2.611975568    
H         0.1663039811         3.503161715        -1.258748103    
O         0.8993251428         3.856104934        0.2486485567    
H         0.3171889653         3.525651520         1.004011138    
H          1.129083217         4.755511176        0.4826649392    
O         -3.208437709       -0.3974727275         2.137811080    
H         -2.476307200       -0.7187689973         2.710512375    
H         -3.257677274        -1.018715692         1.393243740    
O         -2.002747036         1.412946895        -1.063745818    
H         -1.548047025         2.163104676        -1.472607461    
H         -2.397850284         1.732267229       -0.2276839825    
O         -1.059249947        -1.237107226         3.511669642    
H        -0.4754786633       -0.4812205812         3.318528460    
H        -0.5784516177        -2.006838531         3.174672125    
O         0.6197832362        -3.138203964         2.312414606    
H          1.445123166        -2.669578808         2.015581154    
H         0.9081034400        -3.980774104         2.662344542    
O        -0.6620435089        -2.664811962       -0.5421467863E-02
H         -1.631029369        -2.619453564        0.8415236007E-01
H        -0.2917736824        -2.928360743        0.8583597274    
O          2.999924215        -2.133122745        -1.372766048    
H          2.148341568        -2.510340734        -1.734647668    
H          3.710329860        -2.624057166        -1.784589163    
O          2.190714517        0.4392273914        -1.505944052    
H          2.644316413       -0.4202986429        -1.534829564    
H          1.401294429        0.2763785037       -0.9375620143    
O        -0.7639649397        -1.207387153        -3.696126474    
H        -0.8679049962        -1.377775536        -4.632085913    
H        -0.3049765977       -0.3259719398        -3.627937669    
O         -3.316115889        -2.176201580       -0.5641667868E-02
H         -3.264667401        -1.659888517       -0.8590683823    
H         -4.077488095        -2.750340830       -0.8207869025E-01
O          3.268974722        0.6243783600         2.151760181    
H          3.964357743        0.8811039833         2.755738622    
H          3.289026142         1.278873251         1.396447973    
O         -2.960276608         2.057942227         1.359924665    
H         -3.803367858         2.458414070         1.568707271    
H         -3.019062982         1.111768934         1.696159366    
O          2.821890406        -2.020400616         1.408471756    
H          2.992130924        -1.098457446         1.661852492    
H          2.881783756        -2.054501905        0.4386292904    
O         0.1116360048E-01   -0.7890010342E-01   -0.7549336508E-01
H        -0.7474603811        0.4115675325       -0.4554994191    
H        -0.2240528041        -1.033309327       -0.1011795094    
O         0.7308955979        -3.054908977        -2.290736640    
H         0.2556824601        -2.418943825        -2.855457382    
H         0.2055710108        -3.087339932        -1.471629427    
O          3.196644658         2.302729764        0.1485041830    
H          2.410929682         2.870609423        0.2293996819    
H          2.970174584         1.673264590       -0.5664213340    
O         0.5682590804        0.6601046953         2.443125176    
H          1.538178830        0.6267547262         2.498867446    
H         0.3550977196        0.3850523538         1.523671638    
O         -3.066998439       -0.8101539318        -2.223017293    
H         -2.817877514        0.6348430843E-01    -1.875771282    
H         -2.297647274        -1.090164436        -2.750750378    
    63
Energy=    -106.840374048860    
O         0.5351546343         1.065218603        -3.527790456    
H         0.1033144775         1.828840684        -3.118869947    
H          1.262761736        0.8389906015        -2.911200140    
O        -0.5548372816         3.066392800         2.230215990    
H         -1.452272369         2.804077052         1.960578857    
H        -0.1186571720         2.220937687         2.475228667    
O        -0.3301946900         3.346264161        -2.088197282    
H        -0.2482835853         4.144342838        -2.610828078    
H         0.1709787931         3.498054443        -1.255776974    
O         0.8987139878         3.857853540        0.2523533405    
H         0.3179003558         3.525748689         1.008019216    
H          1.127544366         4.757765995        0.4869909787    
O         -3.207336783       -0.3967944505         2.137419658    
H         -2.475529863       -0.7185405534         2.710320125    
H         -3.256600260        -1.018121648         1.392955007    
O         -2.004165520         1.412917366        -1.063357097    
H         -1.544828798         2.161045395        -1.472194102    
H         -2.398410990         1.732959713       -0.2272749881    
O         -1.059174102        -1.237992551         3.512069561    
H        -0.4755641836       -0.4814701203         3.318978935    
H        -0.5783356754        -2.007061949         3.174628942    
O         0.6200617512        -3.137129556         2.312438350    
H          1.444980243        -2.668649084         2.014052706    
H         0.9092387195        -3.979586962         2.662696262    
O        -0.6614875831        -2.666703489       -0.5869406047E-02
H         -1.630346829        -2.620835102        0.8356653352E-01
H        -0.2915116858        -2.929516790        0.8580730989    
O          2.999120776        -2.129092139        -1.373828886    
H          2.147850382        -2.507134713        -1.735853508    
H          3.709808093        -2.620003934        -1.784700657    
O          2.188940213        0.4421784620        -1.506452898    
H          2.644906485       -0.4163811870        -1.531493323    
H          1.397974692        0.2800655574       -0.9396521696    
O        -0.7653131860        -1.206929571        -3.699208049    
H        -0.8726016221        -1.383665572        -4.634407091    
H        -0.3039808907       -0.3265530533        -3.632214453    
O         -3.316364135        -2.176540235       -0.4667729980E-02
H         -3.265969072        -1.660399736       -0.8579572899    
H         -4.078582760        -2.750399255       -0.8084011229E-01
O          3.267978085        0.6254656950         2.151363240    
H          3.963640405        0.8818035999         2.755867853    
H          3.289007693         1.280291869         1.396446517    
O         -2.958586445         2.058692869         1.360218521    
H         -3.802405232         2.459841837         1.570091774    
H         -3.018049462         1.112707114         1.695980145    
O          2.820992414        -2.018556814         1.407693590    
H          2.990976324        -1.096311782         1.662246564    
H          2.879175243        -2.050932220        0.4378877410    
O         0.9453453764E-02   -0.8098742849E-01   -0.7453534344E-01
H        -0.7494929821        0.4098252527       -0.4540019553    
H        -0.2245346071        -1.035256872       -0.1011981018    
O         0.7302549195        -3.054723845        -2.291530800    
H         0.2541270180        -2.420001965        -2.856209589    
H         0.2049198520        -3.085924402        -1.471909643    
O          3.196603463         2.301822725        0.1497378348    
H          2.412157469         2.871909335        0.2306097904    
H          2.969103645         1.673979832       -0.5672645013    
O         0.5669816510        0.6607723034         2.441918192    
H          1.536930896        0.6267162194         2.497961133    
H         0.3543006890        0.3850995052         1.522553865    
O         -3.068097419       -0.8112164540        -2.222445582    
H         -2.818327106        0.6297821152E-01    -1.875137800    
H         -2.299499534        -1.091388921        -2.750785553    
    63
Energy=    -106.840237421130    
O         0.5637271089         1.047530607        -3.566820520    
H         0.1220589367         1.805423175        -3.158474176    
H          1.282235014        0.8179045013        -2.937661323    
O        -0.5597624604         3.067773225         2.253597130    
H         -1.456264049         2.811371677         1.975313752    
H        -0.1292208792         2.217472176         2.491790843    
O        -0.3140148079         3.332752607        -2.073715739    
H        -0.2053555170         4.121826447        -2.605168335    
H         0.1832611478         3.490769631        -1.241089471    
O         0.9009044750         3.866195635        0.2769255605    
H         0.3193310779         3.534875783         1.031531980    
H          1.118204761         4.769782595        0.5058620673    
O         -3.202660927       -0.3931755010         2.135123810    
H         -2.471952643       -0.7141899835         2.709773385    
H         -3.250701311        -1.014629998         1.390675077    
O         -2.001157584         1.404876072        -1.057806317    
H         -1.538077426         2.146502882        -1.471993961    
H         -2.394536086         1.737140907       -0.2257026097    
O         -1.058346349        -1.239084088         3.513649910    
H        -0.4752364198       -0.4836216670         3.315541999    
H        -0.5764412792        -2.008908622         3.178197652    
O         0.6236989988        -3.131926685         2.306678612    
H          1.450651221        -2.667262116         2.006073380    
H         0.9073452552        -3.972043188         2.665719672    
O        -0.6637231373        -2.669215318       -0.3044181384E-02
H         -1.632774073        -2.630939210        0.8595533476E-01
H        -0.2942283065        -2.935268183        0.8605802506    
O          2.989101695        -2.110485706        -1.378220937    
H          2.141788270        -2.491479980        -1.746446190    
H          3.703354582        -2.599231423        -1.784841950    
O          2.172752603        0.4578319445        -1.506314246    
H          2.640532851       -0.3943261184        -1.514348087    
H          1.380062322        0.2902297158       -0.9422962402    
O        -0.7779238464        -1.219651386        -3.705940165    
H        -0.8900741675        -1.404459746        -4.638242835    
H        -0.3014026807       -0.3472875323        -3.654961270    
O         -3.316938680        -2.177255237       -0.3188781921E-02
H         -3.269215175        -1.663854544       -0.8584287642    
H         -4.079864644        -2.750562257       -0.7171900579E-01
O          3.262575728        0.6284382500         2.153223642    
H          3.960180039        0.8844116071         2.754308088    
H          3.289551385         1.275015501         1.391031424    
O         -2.955350185         2.061595935         1.363287933    
H         -3.795558679         2.465367237         1.578820599    
H         -3.015541597         1.114196317         1.696671283    
O          2.816774086        -2.006143342         1.402975321    
H          2.988464838        -1.087636091         1.669690125    
H          2.863396472        -2.025985824        0.4319798286    
O         0.5136470448E-02   -0.8290663988E-01   -0.7352994390E-01
H        -0.7581313014        0.4024979876       -0.4518558012    
H        -0.2228327985        -1.038863785       -0.9970212974E-01
O         0.7297163924        -3.046555442        -2.299554015    
H         0.2454406452        -2.419215644        -2.866879304    
H         0.2130317513        -3.076276357        -1.475050510    
O          3.200029523         2.296183831        0.1496213574    
H          2.423399394         2.877455373        0.2285438403    
H          2.964435361         1.668090818       -0.5653187769    
O         0.5597777874        0.6561935723         2.434977113    
H          1.529367399        0.6340847384         2.488720353    
H         0.3486619400        0.3792697508         1.514881438    
O         -3.071796867       -0.8126882842        -2.219778268    
H         -2.817719261        0.5842849993E-01    -1.869361747    
H         -2.305635289        -1.095601497        -2.750757678    
    63
Energy=    -106.840189592630    
O         0.5681983894         1.042374909        -3.574022816    
H         0.1256814625         1.802122425        -3.171158055    
H          1.285635675        0.8165746534        -2.942358405    
O        -0.5600208475         3.067885536         2.257283603    
H         -1.456729781         2.813404632         1.977304788    
H        -0.1306851663         2.216827481         2.494678107    
O        -0.3080036427         3.325396100        -2.070428046    
H        -0.1956882182         4.113847091        -2.601254759    
H         0.1880414068         3.484676467        -1.237796422    
O         0.9013845895         3.868060719        0.2823213465    
H         0.3194173216         3.537496007         1.037229462    
H          1.116174378         4.773491138        0.5083982318    
O         -3.201843884       -0.3925859737         2.134798173    
H         -2.471120769       -0.7134280538         2.709666834    
H         -3.249521797        -1.014053836         1.390386305    
O         -2.001637847         1.403689813        -1.056999828    
H         -1.535199472         2.143756819        -1.471728755    
H         -2.393630652         1.736859703       -0.2249080670    
O         -1.057942795        -1.239425263         3.513976638    
H        -0.4750856812       -0.4837157377         3.314789311    
H        -0.5762410392        -2.009028838         3.178995215    
O         0.6242509753        -3.131043582         2.305532367    
H          1.451587918        -2.666867123         2.004849480    
H         0.9075922752        -3.970685614         2.666519307    
O        -0.6648651803        -2.670681289       -0.2957668489E-02
H         -1.634132017        -2.632956292        0.8689734798E-01
H        -0.2948259487        -2.936127512        0.8605076359    
O          2.986950731        -2.106259778        -1.378722764    
H          2.140220059        -2.487820183        -1.748617563    
H          3.701668790        -2.595578530        -1.783948917    
O          2.170611670        0.4610870444        -1.507488880    
H          2.638340913       -0.3908309923        -1.511549014    
H          1.376849548        0.2932443703       -0.9455797737    
O        -0.7792139045        -1.220236457        -3.708061450    
H        -0.8956126997        -1.409331746        -4.639446233    
H        -0.2990600103       -0.3496307200        -3.657547995    
O         -3.316594135        -2.177635185       -0.2758481217E-02
H         -3.269423290        -1.665431629       -0.8586559575    
H         -4.080587659        -2.750536749       -0.6988979922E-01
O          3.261665545        0.6282358974         2.153702220    
H          3.960172030        0.8850940410         2.754033660    
H          3.288443383         1.273986062         1.390676463    
O         -2.955048845         2.062511287         1.363655621    
H         -3.794785261         2.466162713         1.581161418    
H         -3.014853922         1.114947966         1.696768014    
O          2.816030509        -2.003624351         1.401326233    
H          2.987714679        -1.085675178         1.670549502    
H          2.860688181        -2.020448675        0.4303910151    
O         0.4504335103E-02   -0.8334137962E-01   -0.7600903706E-01
H        -0.7608450583        0.4008592452       -0.4506957923    
H        -0.2231945763        -1.040017336       -0.9803269254E-01
O         0.7301140696        -3.043978790        -2.301285607    
H         0.2436997919        -2.418308108        -2.868766959    
H         0.2148060080        -3.075005771        -1.475971319    
O          3.200526661         2.297344483        0.1480718748    
H          2.425328144         2.879011484        0.2300510297    
H          2.961331578         1.667595548       -0.5639168474    
O         0.5580012450        0.6554606763         2.434489276    
H          1.528256820        0.6361617146         2.487760064    
H         0.3465843272        0.3780891465         1.514970298    
O         -3.072730126       -0.8127983064        -2.219775746    
H         -2.818452623        0.5761538260E-01    -1.867890273    
H         -2.306385456        -1.096023974        -2.750007434    
    63
Energy=    -106.840110091070    
O         0.5733053411         1.032219258        -3.580664754    
H         0.1303767202         1.798835472        -3.191042766    
H          1.284166189        0.8187124764        -2.940402291    
O        -0.5603252213         3.067781405         2.262182262    
H         -1.456923007         2.816036950         1.979863093    
H        -0.1331161263         2.215580425         2.498327422    
O        -0.3002934334         3.320347737        -2.067182146    
H        -0.1851074932         4.107008229        -2.600122192    
H         0.1929458012         3.474258154        -1.230749513    
O         0.9018916184         3.869466987        0.2892550830    
H         0.3195523560         3.540723191         1.043631925    
H          1.113475888         4.777431218        0.5110905541    
O         -3.201220712       -0.3922199881         2.134830528    
H         -2.469813364       -0.7121194189         2.709238473    
H         -3.247669500        -1.013115271         1.389873933    
O         -2.003042899         1.402679581        -1.056437328    
H         -1.531917493         2.140641317        -1.472053973    
H         -2.391886023         1.735133212       -0.2227510916    
O         -1.057221393        -1.239233080         3.514637915    
H        -0.4749600912       -0.4838458470         3.313005645    
H        -0.5758688518        -2.009487547         3.180068728    
O         0.6249798835        -3.129882499         2.303948110    
H          1.452872480        -2.666809253         2.003408689    
H         0.9076092391        -3.968829400         2.667628735    
O        -0.6670674990        -2.673140470       -0.3015129533E-02
H         -1.636005431        -2.635383147        0.8873504774E-01
H        -0.2958842893        -2.936590823        0.8604723806    
O          2.983887074        -2.102493173        -1.378505620    
H          2.138283707        -2.483171897        -1.751307453    
H          3.699813406        -2.591408683        -1.783217150    
O          2.170288622        0.4640941374        -1.506851717    
H          2.638986760       -0.3883696341        -1.508735584    
H          1.370631262        0.2988996955       -0.9512844004    
O        -0.7802451813        -1.220523631        -3.710404193    
H        -0.9018768511        -1.415613364        -4.640358624    
H        -0.2948386260       -0.3521917328        -3.662073593    
O         -3.316046197        -2.178350842       -0.2258319704E-02
H         -3.269527486        -1.667925022       -0.8590148360    
H         -4.081018531        -2.750196077       -0.6749501387E-01
O          3.261496465        0.6270320604         2.153859475    
H          3.960293832        0.8859999438         2.754110335    
H          3.286233873         1.271748180         1.390993135    
O         -2.954584916         2.063918768         1.363873402    
H         -3.793776513         2.466793019         1.584463442    
H         -3.014091002         1.116445659         1.696462695    
O          2.815637287        -2.000322526         1.399777304    
H          2.986608799        -1.083202595         1.671704793    
H          2.857011284        -2.012639852        0.4283646412    
O         0.5623370622E-02   -0.8439257187E-01   -0.8245680215E-01
H        -0.7642147078        0.3996594554       -0.4487348718    
H        -0.2228637819        -1.040925124       -0.9478171087E-01
O         0.7315758028        -3.040925402        -2.304465536    
H         0.2409352805        -2.417446827        -2.869986294    
H         0.2176023082        -3.071972425        -1.478092356    
O          3.203308980         2.299282955        0.1449603137    
H          2.427560752         2.879311243        0.2308242560    
H          2.956521073         1.666209737       -0.5623381452    
O         0.5557839189        0.6541205923         2.434009652    
H          1.526054122        0.6394311021         2.486015283    
H         0.3434588465        0.3762010914         1.515007497    
O         -3.074856225       -0.8129342156        -2.220423102    
H         -2.818290131        0.5654403177E-01    -1.865638395    
H         -2.307708264        -1.096127342        -2.748270366    
    63
Energy=    -106.839536672040    
O         0.6254554174        0.9825241702        -3.669053282    
H         0.1648280644         1.756186252        -3.319571286    
H          1.308472787        0.8036619546        -2.985920094    
O        -0.5624159601         3.077780777         2.287531559    
H         -1.455341888         2.831921612         1.987347448    
H        -0.1372600385         2.219119560         2.505375646    
O        -0.2003876518         3.205446959        -2.033759711    
H        -0.8904349608E-01     4.009834603        -2.538604320    
H         0.2445177069         3.370873395        -1.173159757    
O         0.9125864744         3.888701416        0.3351233341    
H         0.3415359628         3.565742492         1.101790492    
H          1.089967209         4.813243677        0.5179110682    
O         -3.187931274       -0.3873479773         2.130364590    
H         -2.465105654       -0.7154811109         2.710901790    
H         -3.240958154        -1.012746631         1.389812497    
O         -2.013820189         1.395373716        -1.053984902    
H         -1.496517917         2.111438364        -1.454391233    
H         -2.393047158         1.734376022       -0.2195761027    
O         -1.055747763        -1.242310446         3.518462826    
H        -0.4756697984       -0.4851695640         3.317449301    
H        -0.5742220889        -2.011457075         3.181209961    
O         0.6276320852        -3.129267131         2.307975121    
H          1.446530981        -2.655572876         2.000863451    
H         0.9262292677        -3.960904628         2.675707401    
O        -0.6705725734        -2.686971263       -0.1275205339E-01
H         -1.638512258        -2.640371638        0.8626028668E-01
H        -0.2922523863        -2.941191066        0.8499971921    
O          2.967330978        -2.047545899        -1.388467770    
H          2.123236713        -2.437414023        -1.758442116    
H          3.686883388        -2.558040531        -1.757937169    
O          2.131330673        0.4922083871        -1.538091737    
H          2.596136082       -0.3649810957        -1.556839655    
H          1.346335254        0.3198438247       -0.9676069570    
O        -0.7923926410        -1.224430783        -3.717736733    
H        -0.9523900859        -1.423803426        -4.641920946    
H        -0.2710624757       -0.3743973072        -3.692690175    
O         -3.320284294        -2.188968254        0.3074928245E-02
H         -3.270254177        -1.683901574       -0.8568515284    
H         -4.095635364        -2.746875766       -0.5375649863E-01
O          3.248032838        0.6457415686         2.158853649    
H          3.962455245        0.8888138037         2.746735768    
H          3.277989981         1.289125069         1.393501040    
O         -2.956338547         2.078251684         1.373600958    
H         -3.796193523         2.473363186         1.606998648    
H         -3.005425577         1.129710147         1.702155273    
O          2.805384676        -1.981905765         1.384816831    
H          2.975500140        -1.067588974         1.666493400    
H          2.850479420        -1.982941797        0.4129422875    
O        -0.1234612134E-01   -0.1016921906       -0.7755410113E-01
H        -0.7776863022        0.3802201274       -0.4566223153    
H        -0.2401983797        -1.057968787       -0.1055624875    
O         0.7300764838        -3.014598107        -2.309671811    
H         0.2349601683        -2.392428560        -2.873046422    
H         0.2048606356        -3.072158355        -1.491696381    
O          3.188727027         2.307136568        0.1568788997    
H          2.434240066         2.908275990        0.2750567393    
H          2.916865575         1.699323645       -0.5623092772    
O         0.5446376768        0.6628289439         2.433483777    
H          1.514366293        0.6422098779         2.490243889    
H         0.3328102145        0.3780091047         1.516503863    
O         -3.077046146       -0.8244210987        -2.214129183    
H         -2.845108573        0.5108205526E-01    -1.857808766    
H         -2.302715927        -1.086757652        -2.742399663    
    63
Energy=    -106.839197135240    
O         0.6456745237        0.9838742960        -3.713009749    
H         0.1681264135         1.737500543        -3.341456448    
H          1.323803747        0.7803604036        -3.027670175    
O        -0.5622764768         3.082895182         2.291101067    
H         -1.453937946         2.836000639         1.991161972    
H        -0.1354546479         2.224387447         2.508635884    
O        -0.1618808812         3.167847674        -2.010591377    
H        -0.6114641891E-01     3.970730090        -2.522533826    
H         0.2835165934         3.323212524        -1.151372039    
O         0.9222479609         3.896442051        0.3494886756    
H         0.3422906793         3.576233262         1.110361569    
H          1.080290577         4.824699516        0.5206297529    
O         -3.186457639       -0.3873571937         2.129901885    
H         -2.462900034       -0.7154894624         2.709433197    
H         -3.239813099        -1.012851148         1.389362037    
O         -2.021338630         1.394356659        -1.052584164    
H         -1.481713956         2.096502075        -1.446635341    
H         -2.400491985         1.742696912       -0.2224199660    
O         -1.054986152        -1.245463944         3.523161871    
H        -0.4780851988       -0.4855496079         3.323791345    
H        -0.5732314575        -2.011260724         3.178649217    
O         0.6278032836        -3.130963166         2.305479734    
H          1.443099935        -2.649379773         1.999894226    
H         0.9346566914        -3.956914633         2.676341763    
O        -0.6699071697        -2.694549100       -0.1393952945E-01
H         -1.637353542        -2.646409536        0.8432271927E-01
H        -0.2928027483        -2.948676592        0.8496100825    
O          2.964485515        -2.035214497        -1.390465376    
H          2.119729062        -2.427481904        -1.757764440    
H          3.683071931        -2.548547740        -1.751373533    
O          2.114148697        0.5065781584        -1.538002106    
H          2.583907878       -0.3390204366        -1.580982484    
H          1.329033081        0.3234381291       -0.9652568924    
O        -0.8007245253        -1.221055827        -3.717026317    
H        -0.9650818011        -1.415957856        -4.639303078    
H        -0.2713422084       -0.3774306673        -3.708783379    
O         -3.323241332        -2.193617770        0.6351572711E-02
H         -3.272219150        -1.685697229       -0.8515662527    
H         -4.101440489        -2.746037400       -0.5157705942E-01
O          3.247318616        0.6489534133         2.163891743    
H          3.963585061        0.8888669903         2.746317184    
H          3.269981424         1.294619478         1.399486576    
O         -2.954750728         2.082288566         1.376907857    
H         -3.795655625         2.474807721         1.611153700    
H         -3.002375511         1.133663738         1.704564905    
O          2.802289052        -1.976406234         1.382217620    
H          2.970480623        -1.060756819         1.659338553    
H          2.847768279        -1.980431009        0.4101778787    
O        -0.1699148877E-01   -0.1038266729       -0.8072661055E-01
H        -0.7856743720        0.3760008892       -0.4536759326    
H        -0.2380663521        -1.061632682       -0.1079178816    
O         0.7292764324        -3.013334558        -2.309481232    
H         0.2362964861        -2.387307718        -2.871095985    
H         0.1990564738        -3.073524885        -1.496038523    
O          3.182626082         2.319115581        0.1578745865    
H          2.424183625         2.916931060        0.2873549995    
H          2.903237630         1.718761465       -0.5623999719    
O         0.5424556820        0.6629170031         2.435331029    
H          1.512488602        0.6419793180         2.493506283    
H         0.3323566021        0.3813552001         1.517559533    
O         -3.078865379       -0.8282446590        -2.214737837    
H         -2.854268041        0.4739843412E-01    -1.859654625    
H         -2.298301152        -1.084265375        -2.739809404    
    63
Energy=    -106.838848590450    
O         0.6450997812        0.9721035878        -3.731210426    
H         0.1622099143         1.727834485        -3.377107198    
H          1.305605302        0.7862375691        -3.029264523    
O        -0.5621489112         3.087912722         2.295121152    
H         -1.454065035         2.836751770         1.997108199    
H        -0.1332653717         2.231921126         2.514622229    
O        -0.1256986607         3.118800151        -1.996400341    
H        -0.3230030247E-01     3.931973966        -2.491516817    
H         0.3472640745         3.272354642        -1.149839970    
O         0.9270439447         3.902016999        0.3550685618    
H         0.3358706539         3.581185835         1.107999243    
H          1.072253932         4.832389810        0.5167240572    
O         -3.183542476       -0.3853567349         2.128605021    
H         -2.460579898       -0.7145093958         2.708198149    
H         -3.240409377        -1.012699195         1.390028180    
O         -2.037344729         1.396830325        -1.053746109    
H         -1.466354800         2.084338017        -1.437042798    
H         -2.411671434         1.753694569       -0.2261479910    
O         -1.055591024        -1.249203606         3.526487655    
H        -0.4803758980       -0.4864129390         3.334293738    
H        -0.5718071750        -2.010888053         3.175679186    
O         0.6291567924        -3.128769713         2.302714717    
H          1.440962233        -2.643326936         1.993584444    
H         0.9425737218        -3.952449777         2.674797262    
O        -0.6708887798        -2.700552476       -0.1173696786E-01
H         -1.638776166        -2.661893026        0.8557785769E-01
H        -0.2959236545        -2.963928821        0.8500114354    
O          2.964739475        -2.033429316        -1.388310736    
H          2.122408325        -2.431651350        -1.749686561    
H          3.682764522        -2.550391492        -1.750859163    
O          2.105587685        0.5312717607        -1.547175746    
H          2.593849527       -0.3093595690        -1.582437619    
H          1.317499365        0.3294745881       -0.9885463357    
O        -0.7942811004        -1.197824619        -3.720607030    
H        -0.9796949475        -1.412756040        -4.633734489    
H        -0.2630278151       -0.3513095289        -3.735220903    
O         -3.326566165        -2.195495049        0.9256014750E-02
H         -3.274952897        -1.685761894       -0.8472406459    
H         -4.106575528        -2.746238846       -0.4987912296E-01
O          3.246346612        0.6513344669         2.165550295    
H          3.966181910        0.8892685122         2.747300565    
H          3.263032261         1.302709141         1.406773889    
O         -2.950358220         2.085367264         1.382121122    
H         -3.792966844         2.476387057         1.611614282    
H         -2.999103464         1.134539306         1.703535944    
O          2.798409938        -1.970499273         1.382306233    
H          2.965365744        -1.051379850         1.650301445    
H          2.841464672        -1.984385091        0.4104258315    
O        -0.1990329150E-01   -0.1009666275       -0.8125731203E-01
H        -0.8010135764        0.3685312099       -0.4432789843    
H        -0.2262397125        -1.061199720       -0.1087152883    
O         0.7253457943        -3.018785215        -2.314072920    
H         0.2362047058        -2.387869212        -2.871690974    
H         0.2017607273        -3.076101354        -1.494567998    
O          3.167176393         2.326297087        0.1664186225    
H          2.411240243         2.924859291        0.2931419279    
H          2.896797094         1.735989266       -0.5665561499    
O         0.5400680102        0.6640009641         2.433669487    
H          1.508932098        0.6413829739         2.497624146    
H         0.3352833971        0.3813232043         1.515021125    
O         -3.082604277       -0.8326451956        -2.213692534    
H         -2.862661669        0.4780708379E-01    -1.862033531    
H         -2.301294545        -1.088091234        -2.734595354    
    63
Energy=    -106.838576147540    
O         0.6378182951        0.9765534324        -3.734743579    
H         0.1578555007         1.732803493        -3.381524300    
H          1.318733356        0.7887017974        -3.050922638    
O        -0.5620782504         3.089180845         2.296094104    
H         -1.454176536         2.836009231         1.999880949    
H        -0.1324413765         2.234136583         2.517180799    
O        -0.1043626755         3.098747573        -1.989789856    
H        -0.2729742595E-01     3.913337317        -2.488460421    
H         0.3740880465         3.247503107        -1.146775202    
O         0.9198883941         3.907276700        0.3532503329    
H         0.3347408248         3.584871198         1.108941307    
H          1.070989997         4.838094267        0.5198846543    
O         -3.181923382       -0.3839463652         2.127959251    
H         -2.460233452       -0.7140734517         2.708395466    
H         -3.241009226        -1.012702305         1.390624643    
O         -2.042057528         1.399716885        -1.055939357    
H         -1.459075481         2.078439755        -1.432386431    
H         -2.415231919         1.757517626       -0.2269573063    
O         -1.056230184        -1.249908430         3.526379006    
H        -0.4806694859       -0.4866928217         3.338232019    
H        -0.5713634794        -2.010855544         3.174929253    
O         0.6302260978        -3.127153678         2.301716022    
H          1.441146455        -2.641798001         1.990269239    
H         0.9444297009        -3.950798673         2.673801440    
O        -0.6721899199        -2.703155137       -0.1050158773E-01
H         -1.640398342        -2.668332554        0.8603892455E-01
H        -0.2966537990        -2.969699300        0.8498585133    
O          2.963479522        -2.028749216        -1.393583420    
H          2.121504104        -2.434263077        -1.748393065    
H          3.682135974        -2.550281106        -1.749599069    
O          2.100849409        0.5311433922        -1.560826701    
H          2.601177159       -0.3022110288        -1.566571217    
H          1.313293602        0.3411756477       -0.9975875368    
O        -0.7911041384        -1.193862284        -3.721528788    
H        -0.9868638740        -1.412786955        -4.632788070    
H        -0.2655396477       -0.3437487670        -3.744845691    
O         -3.327435468        -2.195270600        0.9810422380E-02
H         -3.275994170        -1.685789137       -0.8470523302    
H         -4.107427649        -2.746280807       -0.4936388789E-01
O          3.245070513        0.6525492451         2.164649438    
H          3.966223007        0.8901616350         2.746156566    
H          3.261392949         1.304788613         1.407219091    
O         -2.948750400         2.085482704         1.382321253    
H         -3.791429916         2.476720471         1.611609024    
H         -2.998085537         1.134336798         1.702681513    
O          2.796378551        -1.967473302         1.380673051    
H          2.964379390        -1.048585086         1.648843206    
H          2.838613577        -1.983746502        0.4087206508    
O        -0.2255050999E-01   -0.1008888877       -0.8077862851E-01
H        -0.8099509556        0.3624062504       -0.4355946472    
H        -0.2278216378        -1.061340951       -0.1042622643    
O         0.7275700321        -3.018198159        -2.313738274    
H         0.2328917784        -2.391621740        -2.872623361    
H         0.2038359674        -3.078103954        -1.495544071    
O          3.163344352         2.329063981        0.1706792411    
H          2.409270221         2.931178716        0.2974649257    
H          2.894373006         1.739274951       -0.5625924623    
O         0.5400584456        0.6655689192         2.435727478    
H          1.508933864        0.6423131262         2.499909957    
H         0.3340659709        0.3806478446         1.517969726    
O         -3.083904940       -0.8342485672        -2.210980466    
H         -2.864887368        0.4750916212E-01    -1.864284359    
H         -2.303108288        -1.089887276        -2.733822995    
    63
Energy=    -106.838507007380    
O         0.6378958804        0.9798036200        -3.731908993    
H         0.1516627491         1.736470169        -3.385618286    
H          1.318694458        0.7883179546        -3.044902840    
O        -0.5619120300         3.089300671         2.295772108    
H         -1.454295286         2.835783308         2.000308336    
H        -0.1323730362         2.234392259         2.517357012    
O        -0.1010619251         3.097593244        -1.990198146    
H        -0.2845626998E-01     3.914126452        -2.488223039    
H         0.3773806763         3.242878637        -1.146842796    
O         0.9168546273         3.902176230        0.3513982269    
H         0.3351487336         3.585085770         1.107957480    
H          1.071550838         4.841948162        0.5201390045    
O         -3.181618075       -0.3836760416         2.127718034    
H         -2.460143208       -0.7140072932         2.708457358    
H         -3.241131770        -1.012685337         1.390759196    
O         -2.043725082         1.399454676        -1.054939612    
H         -1.457806512         2.079254423        -1.432335282    
H         -2.415298939         1.757768532       -0.2276895783    
O         -1.056309362        -1.250063165         3.526213890    
H        -0.4806232601       -0.4866496143         3.338556675    
H        -0.5713755085        -2.010779618         3.174939893    
O         0.6302767016        -3.126563038         2.301477567    
H          1.441125616        -2.641680501         1.989988509    
H         0.9446780981        -3.950942800         2.673817150    
O        -0.6723969594        -2.703010610       -0.1018931992E-01
H         -1.640525678        -2.669055003        0.8606290493E-01
H        -0.2965833828        -2.970410066        0.8499401241    
O          2.963203324        -2.028558855        -1.394405314    
H          2.121336176        -2.435779219        -1.747779931    
H          3.682671410        -2.551371686        -1.749595556    
O          2.100552234        0.5297038102        -1.565205201    
H          2.604081845       -0.3024693083        -1.563860827    
H          1.313708589        0.3423437162       -0.9987763850    
O        -0.7902366959        -1.193346360        -3.719327568    
H        -0.9866641008        -1.412158993        -4.633076645    
H        -0.2663860931       -0.3435412384        -3.747294926    
O         -3.327326434        -2.194976430        0.9782943905E-02
H         -3.276191615        -1.685776252       -0.8470812178    
H         -4.107659997        -2.746429534       -0.4933621900E-01
O          3.243960179        0.6525258761         2.163811140    
H          3.967086704        0.8904339004         2.746673215    
H          3.261340341         1.304846771         1.407570479    
O         -2.948617935         2.085513442         1.382214961    
H         -3.791064599         2.476623762         1.611421600    
H         -2.997952956         1.134197524         1.702570948    
O          2.796041770        -1.967093431         1.380924133    
H          2.964321769        -1.048190475         1.648825541    
H          2.838547351        -1.984385977        0.4088965677    
O        -0.2188483240E-01   -0.1007295085       -0.8205657834E-01
H        -0.8107307929        0.3615500292       -0.4350274683    
H        -0.2277518512        -1.061091718       -0.1040458307    
O         0.7282909450        -3.017328438        -2.314008195    
H         0.2325023669        -2.392263681        -2.872475729    
H         0.2039342851        -3.078368389        -1.495676796    
O          3.163030692         2.329501035        0.1711956766    
H          2.408855289         2.931650206        0.2979566239    
H          2.895270768         1.739197554       -0.5619623889    
O         0.5401211640        0.6657665124         2.435511315    
H          1.508931199        0.6423479940         2.500116518    
H         0.3340928854        0.3805109329         1.517845363    
O         -3.083729316       -0.8350980237        -2.210667503    
H         -2.865038306        0.4788991320E-01    -1.864603229    
H         -2.303766753        -1.089718880        -2.733559606    
    63
Energy=    -106.838151342510    
O         0.6350104724         1.014227403        -3.762215875    
H         0.1507883512         1.745714574        -3.365222177    
H          1.327002380        0.8192547124        -3.096645240    
O        -0.5623480026         3.090916597         2.299154342    
H         -1.454347619         2.834442203         2.005082612    
H        -0.1298565539         2.237607466         2.521151172    
O        -0.4486069517E-01     3.044413224        -1.998993564    
H        -0.1681462420E-01     3.870786531        -2.480846695    
H         0.4119127917         3.205111517        -1.151095877    
O         0.9138082529         3.917763941        0.3541654491    
H         0.3299448910         3.594718017         1.108504079    
H          1.066584938         4.849632586        0.5289374042    
O         -3.180546937       -0.3821795147         2.127394301    
H         -2.459795842       -0.7130787631         2.708646780    
H         -3.241562337        -1.012540838         1.391502598    
O         -2.050547441         1.403829411        -1.058461176    
H         -1.446591341         2.069117249        -1.422109123    
H         -2.421970595         1.761733678       -0.2274864449    
O         -1.057043189        -1.250463639         3.526306263    
H        -0.4802740895       -0.4868977980         3.344252579    
H        -0.5707071123        -2.010013955         3.173297795    
O         0.6324910883        -3.124071771         2.300118933    
H          1.442937152        -2.640082269         1.984568761    
H         0.9477707975        -3.947715470         2.671870137    
O        -0.6761096788        -2.715398563       -0.1112885672E-01
H         -1.644079369        -2.677906364        0.8718323998E-01
H        -0.2985468267        -2.977713126        0.8495452179    
O          2.962578168        -2.034122691        -1.388085042    
H          2.121552873        -2.428247161        -1.757252894    
H          3.682116496        -2.550563130        -1.750527054    
O          2.119620221        0.5407753530        -1.567059331    
H          2.613525270       -0.2952016778        -1.521790659    
H          1.308188860        0.3722904360        -1.036639818    
O        -0.7997738787        -1.200402042        -3.723074113    
H        -0.9993183599        -1.412511340        -4.630404070    
H        -0.2798881652       -0.3502243819        -3.755303841    
O         -3.328945525        -2.195067286        0.1144642458E-01
H         -3.276002213        -1.686863002       -0.8457776189    
H         -4.108825701        -2.746517945       -0.4877054758E-01
O          3.242976769        0.6547394658         2.162440166    
H          3.965737649        0.8922992717         2.742982934    
H          3.259264116         1.307870517         1.405732564    
O         -2.945937408         2.085642116         1.379758073    
H         -3.787842555         2.477182153         1.611544337    
H         -2.994877354         1.134322192         1.700176878    
O          2.792767272        -1.963281018         1.372966612    
H          2.962923789        -1.046509650         1.646319371    
H          2.832852184        -1.974407327        0.4005723954    
O        -0.3306185525E-01   -0.1026086017       -0.7914666343E-01
H        -0.8321511574        0.3513413409       -0.4169727912    
H        -0.2354127944        -1.063424009       -0.8798754661E-01
O         0.7276250799        -3.021581586        -2.314854887    
H         0.2292159286        -2.398529767        -2.873738883    
H         0.2073127972        -3.080467105        -1.494725479    
O          3.157946867         2.334728212        0.1745527892    
H          2.407466107         2.940456088        0.3052107496    
H          2.881485460         1.739274494       -0.5524041656    
O         0.5397733971        0.6667242205         2.444902064    
H          1.509268217        0.6454033672         2.503926459    
H         0.3291576493        0.3799467341         1.528956379    
O         -3.085995247       -0.8358929847        -2.211152354    
H         -2.866924046        0.4643120346E-01    -1.867921342    
H         -2.304136669        -1.093453897        -2.731866249    
    63
Energy=    -106.837862183180    
O         0.6351922964         1.020274754        -3.771448159    
H         0.1526946878         1.746913530        -3.360181343    
H          1.322624072        0.8316852100        -3.104082824    
O        -0.5626042192         3.091211043         2.300100164    
H         -1.454354133         2.834262249         2.006052031    
H        -0.1291411400         2.238287273         2.521870470    
O        -0.3332637498E-01     3.030577969        -2.004029066    
H        -0.1292043712E-01     3.861305315        -2.477665157    
H         0.4182470261         3.199052076        -1.153685063    
O         0.9148389107         3.920798905        0.3558375401    
H         0.3282487310         3.596558883         1.108090757    
H          1.065297334         4.851222380        0.5304369021    
O         -3.180544644       -0.3819797727         2.127371256    
H         -2.459694152       -0.7128783691         2.708632668    
H         -3.241571441        -1.012484587         1.391622269    
O         -2.052434206         1.404663491        -1.058454547    
H         -1.444189036         2.067605098        -1.420212448    
H         -2.423498658         1.761981218       -0.2275230327    
O         -1.057131600        -1.250599100         3.526422797    
H        -0.4801158432       -0.4868910544         3.345345648    
H        -0.5705966468        -2.009723624         3.172913404    
O         0.6329561992        -3.123554344         2.299890277    
H          1.443402355        -2.639815213         1.983508142    
H         0.9485016177        -3.947046781         2.671473979    
O        -0.6770181565        -2.718751269       -0.1172388287E-01
H         -1.644743842        -2.679541338        0.8753821046E-01
H        -0.2991489910        -2.979003435        0.8494731024    
O          2.962752936        -2.037571687        -1.384034913    
H          2.122455406        -2.425417733        -1.760276113    
H          3.682051911        -2.550694134        -1.751355838    
O          2.127150620        0.5452119961        -1.563731090    
H          2.615330222       -0.2939021992        -1.512871923    
H          1.307441742        0.3787419256        -1.047546495    
O        -0.8020859130        -1.200647632        -3.723559766    
H         -1.003093749        -1.414474075        -4.632080682    
H        -0.2820055196       -0.3519868013        -3.754464632    
O         -3.329338865        -2.195192999        0.1196567631E-01
H         -3.275731555        -1.687216764       -0.8452605411    
H         -4.109126079        -2.746558499       -0.4868884454E-01
O          3.242874880        0.6552524638         2.162118182    
H          3.965533271        0.8926575700         2.742303787    
H          3.258890726         1.308630653         1.405213952    
O         -2.945403004         2.085770845         1.379083934    
H         -3.787100360         2.477332912         1.611528047    
H         -2.994036463         1.134352500         1.699580119    
O          2.792163932        -1.962696371         1.370929114    
H          2.962578058        -1.046482017         1.645603427    
H          2.831606814        -1.971676365        0.3984257602    
O        -0.3595850452E-01   -0.1030366190       -0.7828088892E-01
H        -0.8369667219        0.3495563240       -0.4130330286    
H        -0.2367397329        -1.064086837       -0.8423841490E-01
O         0.7264633058        -3.023501308        -2.315589721    
H         0.2292655045        -2.399597554        -2.873856972    
H         0.2079969925        -3.080692176        -1.493771500    
O          3.156787109         2.335394560        0.1750399542    
H          2.407113885         2.941532705        0.3061208498    
H          2.877612059         1.739110082       -0.5508179335    
O         0.5395434355        0.6665895896         2.447104847    
H          1.509194236        0.6460634094         2.504628588    
H         0.3281412690        0.3799118397         1.531417961    
O         -3.086500362       -0.8358176125        -2.212258907    
H         -2.867236887        0.4631869056E-01    -1.868217810    
H         -2.304083204        -1.094551588        -2.731192802    
    63
Energy=    -106.836836151840    
O         0.6141782515         1.019852868        -3.824792687    
H         0.2017786008         1.733100881        -3.298988000    
H          1.419468482        0.8147821889        -3.304952911    
O        -0.5628734963         3.091969924         2.307430911    
H         -1.452279516         2.834713302         2.007285959    
H        -0.1278722345         2.238628158         2.526516638    
O        -0.8519917142E-02     2.984608919        -1.976808678    
H         0.6352152861E-02     3.790114496        -2.487844243    
H         0.4545083005         3.182222789        -1.133640513    
O         0.9141211634         3.949780435        0.3732631963    
H         0.3249447126         3.616531611         1.121525378    
H          1.063473683         4.875801590        0.5566483961    
O         -3.181559162       -0.3824436094         2.128427101    
H         -2.459736276       -0.7127296996         2.708900204    
H         -3.241243987        -1.012127652         1.392052282    
O         -2.058728102         1.405534090        -1.062091871    
H         -1.422976796         2.051006765        -1.412758562    
H         -2.423477643         1.767439691       -0.2318296037    
O         -1.057499293        -1.252086579         3.527419744    
H        -0.4803056775       -0.4872098791         3.350526777    
H        -0.5703149851        -2.009315532         3.171363206    
O         0.6344054799        -3.122365254         2.297974447    
H          1.443666204        -2.638593740         1.978699301    
H         0.9507955922        -3.944971098         2.670390111    
O        -0.6804187226        -2.730567330       -0.1400219861E-01
H         -1.647542242        -2.686251005        0.8808997656E-01
H        -0.3011217159        -2.983610084        0.8488271677    
O          2.956054773        -2.013740863        -1.393628157    
H          2.117350899        -2.404122322        -1.770579663    
H          3.676986136        -2.534150254        -1.746960805    
O          2.121955046        0.5629090509        -1.539771709    
H          2.590783646       -0.2873681851        -1.488724681    
H          1.284341024        0.4042953931        -1.054597762    
O        -0.8081659458        -1.207288304        -3.732970115    
H         -1.028131372        -1.421746253        -4.642591146    
H        -0.2955950940       -0.3557167029        -3.748011433    
O         -3.329984694        -2.195836548        0.1309969253E-01
H         -3.275623120        -1.688048468       -0.8441835763    
H         -4.109999570        -2.746553630       -0.4785640829E-01
O          3.242573668        0.6557706264         2.158801756    
H          3.963477224        0.8963170713         2.738994124    
H          3.254880567         1.309313173         1.401307480    
O         -2.944666521         2.086478011         1.379082144    
H         -3.785628192         2.478022673         1.613879767    
H         -2.993542953         1.134926019         1.698475149    
O          2.792043581        -1.959144039         1.359519741    
H          2.961411293        -1.045516834         1.643470440    
H          2.824259813        -1.953768471        0.3866251109    
O        -0.5766031543E-01   -0.1084658934       -0.5107360660E-01
H        -0.8537548062        0.3422035490       -0.3982831394    
H        -0.2523271750        -1.070196985       -0.6849530524E-01
O         0.7261297676        -3.026599583        -2.316445719    
H         0.2258852825        -2.407329738        -2.875593272    
H         0.2087596193        -3.083859540        -1.492963193    
O          3.152127590         2.342268656        0.1786509890    
H          2.413258869         2.958594670        0.3162881594    
H          2.854036118         1.745416988       -0.5423317050    
O         0.5406031086        0.6702625928         2.461551482    
H          1.510926619        0.6502144679         2.508539134    
H         0.3201920291        0.3796387846         1.548937146    
O         -3.085996726       -0.8375473982        -2.214854828    
H         -2.868336478        0.4531763352E-01    -1.869605892    
H         -2.303335467        -1.098007994        -2.731822248    
    63
Energy=    -106.834954568010    
O         0.6138303465         1.020401384        -3.858041771    
H         0.3070825136         1.657765440        -3.196598263    
H          1.512570926        0.7634192018        -3.576406931    
O        -0.5629823374         3.093211495         2.312736545    
H         -1.450129700         2.836234148         2.005935998    
H        -0.1288422552         2.239136197         2.530411469    
O         0.5077718920E-02     2.955091161        -1.930120577    
H         0.2862922802E-01     3.732906056        -2.504334743    
H         0.4542652662         3.202675928        -1.102231630    
O         0.9181819738         3.976910809        0.3944434908    
H         0.3318481421         3.635842725         1.139088604    
H          1.064142399         4.903850208        0.5867392014    
O         -3.182824366       -0.3835983060         2.129744183    
H         -2.460678768       -0.7134842941         2.709807701    
H         -3.240980598        -1.012033460         1.392203429    
O         -2.060081333         1.399596060        -1.063334303    
H         -1.413527141         2.034748262        -1.410061577    
H         -2.421966318         1.769532672       -0.2349057084    
O         -1.057990655        -1.253728397         3.528576887    
H        -0.4813335535       -0.4878851581         3.354897043    
H        -0.5699910059        -2.009675611         3.170645370    
O         0.6353885431        -3.122244965         2.295896136    
H          1.443656053        -2.638055335         1.975133675    
H         0.9521506305        -3.943928379         2.670135410    
O        -0.6819755349        -2.735424569       -0.1524561605E-01
H         -1.649127225        -2.689904649        0.8693656654E-01
H        -0.3016814680        -2.986218258        0.8477461845    
O          2.945691290        -1.979057077        -1.413858637    
H          2.108799307        -2.387760386        -1.774234584    
H          3.670622709        -2.510224788        -1.741143521    
O          2.078195505        0.5820192656        -1.533298481    
H          2.551862679       -0.2647395931        -1.491800629    
H          1.257489036        0.4163252984        -1.024366995    
O        -0.8105401151        -1.220060074        -3.736500546    
H         -1.043816442        -1.414792984        -4.645609052    
H        -0.3129379513       -0.3649191134        -3.758378386    
O         -3.329334838        -2.196420704        0.1183502921E-01
H         -3.276151109        -1.688143393       -0.8448441015    
H         -4.110349545        -2.745974395       -0.4716631137E-01
O          3.242320455        0.6551969704         2.156074039    
H          3.961605009        0.9004464784         2.736715712    
H          3.252316420         1.309115232         1.398324387    
O         -2.945834732         2.087329799         1.381565918    
H         -3.786462606         2.479178048         1.617539094    
H         -2.995404587         1.135950211         1.699962586    
O          2.791936271        -1.956308586         1.351655774    
H          2.961135372        -1.044834327         1.642838004    
H          2.817726514        -1.940407029        0.3786563455    
O        -0.7500112394E-01   -0.1129524175       -0.2710580490E-01
H        -0.8640474745        0.3396193201       -0.3863631510    
H        -0.2666675401        -1.074817856       -0.5853987792E-01
O         0.7274750226        -3.024706260        -2.316024456    
H         0.2202658260        -2.414027197        -2.878132525    
H         0.2083196622        -3.086289805        -1.494639490    
O          3.148997479         2.349367271        0.1790917990    
H          2.420394595         2.974867706        0.3270142302    
H          2.834054292         1.751947419       -0.5361547449    
O         0.5420976846        0.6737993213         2.473042405    
H          1.512839920        0.6528926230         2.512050687    
H         0.3135055761        0.3801031655         1.563260807    
O         -3.085447719       -0.8401762540        -2.213828994    
H         -2.867852194        0.4302444574E-01    -1.870643155    
H         -2.304003026        -1.098953099        -2.733280666    
    63
Energy=    -106.834520510460    
O         0.6175987083         1.005348726        -3.878861109    
H         0.3825452826         1.605785172        -3.136419595    
H          1.535437722        0.7493334964        -3.705092907    
O        -0.5634176547         3.094217371         2.314802440    
H         -1.449525690         2.837277329         2.004734664    
H        -0.1294933052         2.239722157         2.531930243    
O         0.2901124864E-02     2.951628994        -1.913404108    
H         0.4446556377E-01     3.703283358        -2.510593908    
H         0.4450637296         3.225409145        -1.082049974    
O         0.9245974390         3.989373538        0.4050888958    
H         0.3371434085         3.643147202         1.147910923    
H          1.064548763         4.916084091        0.6002343642    
O         -3.183578594       -0.3843330196         2.130384456    
H         -2.461376099       -0.7140489819         2.710395999    
H         -3.240843182        -1.012089853         1.392159042    
O         -2.060479656         1.394714150        -1.061966965    
H         -1.413117097         2.028964354        -1.410900293    
H         -2.421942426         1.768123807       -0.2352651786    
O         -1.058268687        -1.254613473         3.529203829    
H        -0.4819172206       -0.4881985028         3.356743433    
H        -0.5698126674        -2.009861691         3.170526516    
O         0.6358760380        -3.122380832         2.294916353    
H          1.443819568        -2.638105041         1.973848445    
H         0.9527461494        -3.943590902         2.670191874    
O        -0.6822165257        -2.736640804       -0.1600296846E-01
H         -1.649457566        -2.690660208        0.8613384042E-01
H        -0.3018461622        -2.986809065        0.8470514685    
O          2.940934249        -1.964739953        -1.420398665    
H          2.105214309        -2.381513466        -1.775479780    
H          3.667714226        -2.498460968        -1.739688476    
O          2.052392469        0.5943351705        -1.530189383    
H          2.532330228       -0.2479781152        -1.502062291    
H          1.244263059        0.4187083298        -1.003979116    
O        -0.8115204871        -1.225899404        -3.737941329    
H         -1.049619722        -1.410067237        -4.646343088    
H        -0.3178349725       -0.3673552121        -3.765317137    
O         -3.328753211        -2.197052915        0.1125753007E-01
H         -3.276311654        -1.687993319       -0.8456959381    
H         -4.110554067        -2.745563599       -0.4698636325E-01
O          3.242526083        0.6553807524         2.154763920    
H          3.960775362        0.9022815113         2.735952627    
H          3.251828562         1.309141600         1.397367326    
O         -2.947011968         2.087845666         1.382942067    
H         -3.787336147         2.479972097         1.619504763    
H         -2.996483906         1.136574159         1.701376852    
O          2.791543068        -1.955511001         1.348831954    
H          2.961217803        -1.044901656         1.642707043    
H          2.814893506        -1.935474706        0.3758041158    
O        -0.8136002384E-01   -0.1146762453       -0.1849592114E-01
H        -0.8681456571        0.3403659621       -0.3808676125    
H        -0.2717681997        -1.076548692       -0.5511644843E-01
O         0.7271273175        -3.024474574        -2.316179911    
H         0.2178615432        -2.416256446        -2.879512372    
H         0.2079594365        -3.086792636        -1.494791966    
O          3.148071519         2.350940936        0.1785726126    
H          2.423069389         2.980179031        0.3305828686    
H          2.824759345         1.755045984       -0.5348951140    
O         0.5425522086        0.6745453007         2.477564875    
H          1.513404533        0.6535978703         2.513473282    
H         0.3111221124        0.3806964588         1.568356926    
O         -3.086032364       -0.8411249321        -2.213591163    
H         -2.867091072        0.4197939195E-01    -1.870301089    
H         -2.304676736        -1.099528059        -2.733415895    
    63
Energy=    -106.832254698320    
O         0.6358816575        0.9920117963        -3.898983152    
H         0.6780745071         1.370787391        -3.001640169    
H          1.539254593        0.7311479805        -4.088337967    
O        -0.5648000271         3.097121182         2.319447629    
H         -1.447942768         2.841260719         2.000715078    
H        -0.1315576474         2.242625938         2.536373365    
O         0.7178268415E-02     2.943891285        -1.855933178    
H         0.9594543452E-01     3.617465462        -2.528016818    
H         0.3943802187         3.304573243        -1.031642252    
O         0.9470709186         4.025265310        0.4420279717    
H         0.3565432539         3.663126404         1.173097631    
H          1.066350635         4.953887198        0.6397461881    
O         -3.186191038       -0.3867673155         2.132212059    
H         -2.463964734       -0.7160945976         2.712090520    
H         -3.240203657        -1.012287284         1.392034379    
O         -2.061622574         1.378941497        -1.055451853    
H         -1.417675322         2.012937932        -1.416519526    
H         -2.424518097         1.759928139       -0.2333333055    
O         -1.059120492        -1.257394921         3.531429915    
H        -0.4838066935       -0.4893639793         3.362311003    
H        -0.5692063256        -2.010363215         3.170233927    
O         0.6372335703        -3.122965913         2.292375255    
H          1.444667575        -2.638739385         1.970211844    
H         0.9547824184        -3.942631925         2.670464097    
O        -0.6827432362        -2.740236444       -0.1896725947E-01
H         -1.650017438        -2.691802427        0.8346470310E-01
H        -0.3024987531        -2.987918212        0.8449671224    
O          2.926330310        -1.927200496        -1.432252137    
H          2.097370144        -2.360942257        -1.780103068    
H          3.658431747        -2.462093570        -1.737770778    
O          1.973121006        0.6399459467        -1.506275548    
H          2.472847933       -0.1890734151        -1.547024367    
H          1.200328603        0.4243517106       -0.9393265011    
O        -0.8119842863        -1.229417823        -3.752520877    
H         -1.075126494        -1.409167638        -4.655481143    
H        -0.3214783651       -0.3697764030        -3.771641311    
O         -3.327030681        -2.198724480        0.9212914419E-02
H         -3.276254953        -1.688567729       -0.8472842794    
H         -4.111175860        -2.744082460       -0.4677678799E-01
O          3.243633095        0.6565858048         2.151261377    
H          3.958729760        0.9075447259         2.734631680    
H          3.251125718         1.310774853         1.393121543    
O         -2.951073818         2.089365311         1.387216664    
H         -3.790295738         2.482541033         1.625840241    
H         -2.999895044         1.139119773         1.706277500    
O          2.790246235        -1.953715122         1.340047132    
H          2.961552688        -1.046061536         1.642234620    
H          2.806106057        -1.921137753        0.3671779551    
O        -0.9985621964E-01   -0.1189598744        0.8159405941E-02
H        -0.8798709685        0.3435352607       -0.3637009668    
H        -0.2852950222        -1.080842368       -0.4638656666E-01
O         0.7236557135        -3.027735091        -2.317907358    
H         0.2125250472        -2.422509935        -2.881895956    
H         0.2068490043        -3.086503150        -1.494396469    
O          3.144225372         2.350664182        0.1759312193    
H          2.431844085         2.991192610        0.3378435179    
H          2.794009921         1.766226671       -0.5340472662    
O         0.5432254126        0.6759251346         2.489785942    
H          1.514277437        0.6549426346         2.517597051    
H         0.3048782117        0.3827859824         1.582315150    
O         -3.088780990       -0.8418378887        -2.215650138    
H         -2.864945965        0.3896183171E-01    -1.866879502    
H         -2.307232240        -1.103762733        -2.732200621    
    63
Energy=    -106.832212307260    
O         0.6404612114        0.9935904582        -3.896420329    
H         0.6824597216         1.364867855        -2.996761785    
H          1.539368398        0.7288513069        -4.102514290    
O        -0.5648152572         3.097208917         2.319525894    
H         -1.447887520         2.841380535         2.000598101    
H        -0.1316295001         2.242713126         2.536492249    
O         0.8138519661E-02     2.943278672        -1.853969930    
H         0.9722951800E-01     3.615677411        -2.528803901    
H         0.3923817572         3.306812537        -1.030517390    
O         0.9478066599         4.026100986        0.4431383581    
H         0.3570697263         3.663613152         1.173692968    
H          1.066399783         4.954962327        0.6407645047    
O         -3.186278279       -0.3868373525         2.132266140    
H         -2.464037900       -0.7161605225         2.712129539    
H         -3.240181703        -1.012291529         1.392027873    
O         -2.061573317         1.378401181        -1.055213171    
H         -1.418020107         2.012494478        -1.416703915    
H         -2.424626698         1.759694250       -0.2332573443    
O         -1.059137076        -1.257468602         3.531512008    
H        -0.4838622890       -0.4894030513         3.362456270    
H        -0.5691879902        -2.010378045         3.170219823    
O         0.6372677950        -3.122987915         2.292323309    
H          1.444692611        -2.638756163         1.970114273    
H         0.9548392246        -3.942616222         2.670476757    
O        -0.6827587338        -2.740329982       -0.1905120974E-01
H         -1.650027311        -2.691810849        0.8337963724E-01
H        -0.3025218122        -2.987938067        0.8449140020    
O          2.925928626        -1.926309834        -1.432516338    
H          2.097155768        -2.360353768        -1.780226799    
H          3.658217128        -2.461122434        -1.737747896    
O          1.970794907        0.6414074203        -1.505902124    
H          2.470948047       -0.1872357077        -1.548165587    
H          1.199451009        0.4243027481       -0.9376701768    
O        -0.8120935050        -1.229798552        -3.752795601    
H         -1.075839438        -1.409186614        -4.655747009    
H        -0.3219053918       -0.3702780015        -3.771825613    
O         -3.326980775        -2.198755294        0.9131958975E-02
H         -3.276237355        -1.688593692       -0.8473131409    
H         -4.111189875        -2.744037044       -0.4677687505E-01
O          3.243675794        0.6565917164         2.151202802    
H          3.958694616        0.9076828079         2.734628242    
H          3.251111698         1.310818587         1.393013278    
O         -2.951161446         2.089430397         1.387380660    
H         -3.790390156         2.482615042         1.626008057    
H         -2.999995379         1.139185206         1.706401957    
O          2.790234895        -1.953687065         1.339821284    
H          2.961551494        -1.046108857         1.642208104    
H          2.805856329        -1.920743753        0.3669493811    
O        -0.1003614724       -0.1190306704        0.8807885753E-02
H        -0.8801963277        0.3436510073       -0.3632425248    
H        -0.2856128519        -1.080922063       -0.4617161620E-01
O         0.7235294386        -3.027825274        -2.317976678    
H         0.2123869598        -2.422660059        -2.881933625    
H         0.2068212283        -3.086457033        -1.494411598    
O          3.144083951         2.350729942        0.1756976296    
H          2.432058143         2.991487549        0.3380983739    
H          2.793183146         1.766380090       -0.5340400330    
O         0.5432250228        0.6759708531         2.490094182    
H          1.514289694        0.6549565954         2.517699466    
H         0.3047289383        0.3828349086         1.582674798    
O         -3.088822105       -0.8418483535        -2.215693148    
H         -2.864896395        0.3886791210E-01    -1.866791956    
H         -2.307302690        -1.103870004        -2.732178681    
    63
Energy=    -106.832095206010    
O         0.6520145132        0.9845341281        -3.891516618    
H         0.7888674119         1.262823317        -2.965846798    
H          1.524687994        0.7409499090        -4.206615421    
O        -0.5651333876         3.098342673         2.320911768    
H         -1.447213750         2.842950287         1.998955173    
H        -0.1325967136         2.243852820         2.538101861    
O        -0.1683544975E-01     2.957667899        -1.832352859    
H         0.1213267251         3.591445839        -2.535444390    
H         0.3792904996         3.329883065        -1.019796380    
O         0.9581436764         4.034972202        0.4551592334    
H         0.3628744179         3.669282761         1.179946573    
H          1.067401913         4.965116579        0.6518150058    
O         -3.187173595       -0.3877670842         2.132845901    
H         -2.464872698       -0.7168098998         2.712588348    
H         -3.240035003        -1.012361463         1.391854667    
O         -2.060958236         1.370652470        -1.051562438    
H         -1.420718440         2.006560047        -1.417296671    
H         -2.425675023         1.756883560       -0.2329407641    
O         -1.059316284        -1.258429456         3.532367060    
H        -0.4844882206       -0.4898095023         3.364403324    
H        -0.5690548736        -2.010630530         3.170144130    
O         0.6376443215        -3.123326833         2.291596116    
H          1.444791360        -2.639080961         1.969236142    
H         0.9552904040        -3.942450709         2.670773265    
O        -0.6828059085        -2.740471820       -0.1980706984E-01
H         -1.650220238        -2.691872113        0.8220638404E-01
H        -0.3030744843        -2.988295297        0.8442828126    
O          2.919778146        -1.913546749        -1.436933609    
H          2.093141892        -2.353919760        -1.782410354    
H          3.654496350        -2.447793763        -1.737437935    
O          1.947116529        0.6480922822        -1.506605423    
H          2.450452078       -0.1789220541        -1.556516863    
H          1.184034696        0.4270826857       -0.9264302743    
O        -0.8115713852        -1.230589154        -3.755705733    
H         -1.080661675        -1.405507234        -4.657929359    
H        -0.3234567419       -0.3698706920        -3.772068505    
O         -3.326157717        -2.199316513        0.8386845722E-02
H         -3.275895269        -1.688557238       -0.8479091285    
H         -4.111234464        -2.743415481       -0.4678782655E-01
O          3.244562900        0.6563397350         2.149969278    
H          3.958010150        0.9088176629         2.734735130    
H          3.251001604         1.311362295         1.392825574    
O         -2.952196741         2.090091968         1.389273855    
H         -3.791309927         2.483620463         1.627633914    
H         -3.001147676         1.140086557         1.707834862    
O          2.790138133        -1.952942232         1.337071575    
H          2.961940368        -1.046331286         1.642057759    
H          2.803155452        -1.916451319        0.3643507338    
O        -0.1026673360       -0.1191590170        0.1389692498E-01
H        -0.8813869992        0.3461758030       -0.3597780524    
H        -0.2885217972        -1.080779565       -0.4408961368E-01
O         0.7230174464        -3.026859020        -2.318210515    
H         0.2105684308        -2.423736487        -2.883159074    
H         0.2060261099        -3.085957309        -1.494742983    
O          3.142273862         2.352846971        0.1753313598    
H          2.433707135         2.996943808        0.3416596587    
H          2.786297890         1.773116191       -0.5339953798    
O         0.5436490000        0.6759928611         2.493724817    
H          1.514683339        0.6551685705         2.519190972    
H         0.3029882672        0.3834996868         1.586755245    
O         -3.089000842       -0.8426586602        -2.216206848    
H         -2.864052096        0.3762909904E-01    -1.865836899    
H         -2.307428938        -1.104407393        -2.732443002    
    63
Energy=    -106.831974359740    
O         0.6520145132        0.9845341281        -3.891516618    
H         0.7888674119         1.262823317        -2.965846798    
H          1.524687994        0.7409499090        -4.206615421    
O        -0.5651333876         3.098342673         2.320911768    
H         -1.447213750         2.842950287         1.998955173    
H        -0.1325967136         2.243852820         2.538101861    
O        -0.1683544975E-01     2.957667899        -1.832352859    
H         0.1213267251         3.591445839        -2.535444390    
H         0.3792904996         3.329883065        -1.019796380    
O         0.9581436764         4.034972202        0.4551592334    
H         0.3628744179         3.669282761         1.179946573    
H          1.067401913         4.965116579        0.6518150058    
O         -3.187173595       -0.3877670842         2.132845901    
H         -2.464872698       -0.7168098998         2.712588348    
H         -3.240035003        -1.012361463         1.391854667    
O         -2.060958236         1.370652470        -1.051562438    
H         -1.420718440         2.006560047        -1.417296671    
H         -2.425675023         1.756883560       -0.2329407641    
O         -1.059316284        -1.258429456         3.532367060    
H        -0.4844882206       -0.4898095023         3.364403324    
H        -0.5690548736        -2.010630530         3.170144130    
O         0.6376443215        -3.123326833         2.291596116    
H          1.444791360        -2.639080961         1.969236142    
H         0.9552904040        -3.942450709         2.670773265    
O        -0.6828059085        -2.740471820       -0.1980706984E-01
H         -1.650220238        -2.691872113        0.8220638404E-01
H        -0.3030744843        -2.988295297        0.8442828126    
O          2.919778146        -1.913546749        -1.436933609    
H          2.093141892        -2.353919760        -1.782410354    
H          3.654496350        -2.447793763        -1.737437935    
O          1.947116529        0.6480922822        -1.506605423    
H          2.450452078       -0.1789220541        -1.556516863    
H          1.184034696        0.4270826857       -0.9264302743    
O        -0.8115713852        -1.230589154        -3.755705733    
H         -1.080661675        -1.405507234        -4.657929359    
H        -0.3234567419       -0.3698706920        -3.772068505    
O         -3.326157717        -2.199316513        0.8386845722E-02
H         -3.275895269        -1.688557238       -0.8479091285    
H         -4.111234464        -2.743415481       -0.4678782655E-01
O          3.244562900        0.6563397350         2.149969278    
H          3.958010150        0.9088176629         2.734735130    
H          3.251001604         1.311362295         1.392825574    
O         -2.952196741         2.090091968         1.389273855    
H         -3.791309927         2.483620463         1.627633914    
H         -3.001147676         1.140086557         1.707834862    
O          2.790138133        -1.952942232         1.337071575    
H          2.961940368        -1.046331286         1.642057759    
H          2.803155452        -1.916451319        0.3643507338    
O        -0.1026673360       -0.1191590170        0.1389692498E-01
H        -0.8813869992        0.3461758030       -0.3597780524    
H        -0.2885217972        -1.080779565       -0.4408961368E-01
O         0.7230174464        -3.026859020        -2.318210515    
H         0.2105684308        -2.423736487        -2.883159074    
H         0.2060261099        -3.085957309        -1.494742983    
O          3.142273862         2.352846971        0.1753313598    
H          2.433707135         2.996943808        0.3416596587    
H          2.786297890         1.773116191       -0.5339953798    
O         0.5436490000        0.6759928611         2.493724817    
H          1.514683339        0.6551685705         2.519190972    
H         0.3029882672        0.3834996868         1.586755245    
O         -3.089000842       -0.8426586602        -2.216206848    
H         -2.864052096        0.3762909904E-01    -1.865836899    
H         -2.307428938        -1.104407393        -2.732443002    
    63
Energy=    -106.832389494820    
O         0.6349049661        0.9916384494        -3.899542816    
H         0.6692163781         1.378486323        -3.004304210    
H          1.540115169        0.7314083732        -4.077617819    
O        -0.5647688170         3.097046819         2.319345504    
H         -1.447987837         2.841139058         2.000829528    
H        -0.1314966193         2.242528761         2.536249634    
O         0.6739971887E-02     2.944550045        -1.858297226    
H         0.9445622066E-01     3.619312678        -2.527161415    
H         0.3962009296         3.302348393        -1.032633563    
O         0.9464460642         4.024334678        0.4409220179    
H         0.3559542855         3.662580345         1.172434401    
H          1.066290371         4.952786971        0.6386559163    
O         -3.186114725       -0.3866985895         2.132162581    
H         -2.463886861       -0.7160331913         2.712045281    
H         -3.240224255        -1.012281589         1.392037385    
O         -2.061623557         1.379370387        -1.055642826    
H         -1.417460326         2.013394170        -1.416339222    
H         -2.424411350         1.760193876       -0.2334257103    
O         -1.059097485        -1.257319561         3.531362919    
H        -0.4837510927       -0.4893260247         3.362154077    
H        -0.5692247868        -2.010348266         3.170243066    
O         0.6371992497        -3.122946382         2.292438302    
H          1.444638432        -2.638717520         1.970313089    
H         0.9547227407        -3.942658997         2.670456367    
O        -0.6827272327        -2.740134860       -0.1887818647E-01
H         -1.650006191        -2.691781216        0.8354297318E-01
H        -0.3024788847        -2.987892512        0.8450236962    
O          2.926750297        -1.928178797        -1.431997686    
H          2.097547126        -2.361551849        -1.779966142    
H          3.658700874        -2.463122958        -1.737801016    
O          1.975332863        0.6385811379        -1.507113582    
H          2.474529205       -0.1908160243        -1.545628806    
H          1.201598265        0.4242089976       -0.9411490761    
O        -0.8120222858        -1.229535002        -3.751999397    
H         -1.074298313        -1.409008066        -4.655120604    
H        -0.3214711397       -0.3696944361        -3.771663561    
O         -3.327076384        -2.198689212        0.9285063569E-02
H         -3.276263753        -1.688532162       -0.8472634392    
H         -4.111160206        -2.744126964       -0.4677920146E-01
O          3.243600893        0.6565565558         2.151342506    
H          3.958778431        0.9073998831         2.734655246    
H          3.251136990         1.310702923         1.393268151    
O         -2.950960613         2.089323467         1.387093399    
H         -3.790209536         2.482468136         1.625659096    
H         -2.999797118         1.139040868         1.706136228    
O          2.790280718        -1.953762573         1.340298935    
H          2.961543669        -1.046016097         1.642250185    
H          2.806356068        -1.921536403        0.3674228051    
O        -0.9933503108E-01   -0.1188594660        0.7394877604E-02
H        -0.8795536609        0.3434500397       -0.3641899976    
H        -0.2849330420        -1.080732662       -0.4661310978E-01
O         0.7237799497        -3.027600502        -2.317848251    
H         0.2126500946        -2.422335685        -2.881855925    
H         0.2068772207        -3.086533388        -1.494407041    
O          3.144361751         2.350716531        0.1760231889    
H          2.431576611         2.990942586        0.3376756215    
H          2.794900396         1.765898233       -0.5340412862    
O         0.5432165242        0.6758893316         2.489463578    
H          1.514260440        0.6549140205         2.517482455    
H         0.3050437537        0.3827271523         1.581934741    
O         -3.088700854       -0.8418508126        -2.215563955    
H         -2.864998481        0.3905414014E-01    -1.866997156    
H         -2.307155380        -1.103613962        -2.732251103    
    63
Energy=    -106.832771332670    
O         0.6213274307        0.9901006170        -3.900270694    
H         0.5193194556         1.503988941        -3.057768735    
H          1.551808296        0.7360134967        -3.896334728    
O        -0.5641510500         3.095733580         2.317444323    
H         -1.448742422         2.839121124         2.002768996    
H        -0.1304904042         2.240964854         2.534155525    
O         0.1298438581E-02     2.951325426        -1.890379072    
H         0.6978300106E-01     3.655949916        -2.517301570    
H         0.4246765336         3.263914389        -1.052827217    
O         0.9356017518         4.007848984        0.4225445940    
H         0.3462350753         3.653347820         1.160890675    
H          1.065331108         4.934581430        0.6201364707    
O         -3.184828916       -0.3855233704         2.131314570    
H         -2.462590026       -0.7150127552         2.711267350    
H         -3.240563949        -1.012188173         1.392090386    
O         -2.061250394         1.386851161        -1.058967933    
H         -1.414365499         2.020939455        -1.413311339    
H         -2.422773342         1.764589648       -0.2348057924    
O         -1.058696664        -1.256000956         3.530248937    
H        -0.4828333446       -0.4887274836         3.359507722    
H        -0.5695252598        -2.010112353         3.170385844    
O         0.6365856233        -3.122643519         2.293559766    
H          1.444182337        -2.638354335         1.972017741    
H         0.9537194934        -3.943106628         2.670318242    
O        -0.6824867196        -2.738411347       -0.1738298385E-01
H         -1.649789744        -2.691387928        0.8484746021E-01
H        -0.3021443521        -2.987445939        0.8459950799    
O          2.933764639        -1.945105082        -1.427469009    
H          2.100784800        -2.371674084        -1.777642222    
H          3.663188854        -2.480491944        -1.738376938    
O          2.012774142        0.6159526756        -1.520609990    
H          2.502994644       -0.2200826022        -1.522476336    
H          1.223006754        0.4217180083       -0.9720192838    
O        -0.8122299479        -1.230257686        -3.743356307    
H         -1.060848737        -1.407164329        -4.649693109    
H        -0.3212429076       -0.3689239441        -3.771213112    
O         -3.327866971        -2.197983740        0.1035680283E-01
H         -3.276381448        -1.688059466       -0.8467333603    
H         -4.110878931        -2.744867772       -0.4683082658E-01
O          3.243031910        0.6559645601         2.152870139    
H          3.959652703        0.9049415892         2.735114194    
H          3.251370165         1.309646533         1.395563674    
O         -2.949002694         2.088610107         1.385028521    
H         -3.788769962         2.481235971         1.622604817    
H         -2.998155464         1.137732292         1.703750763    
O          2.790883779        -1.954546282         1.344543260    
H          2.961383486        -1.045320961         1.642494927    
H          2.810571752        -1.928292085        0.3715424710    
O        -0.9058138449E-01   -0.1169952136       -0.5465727794E-02
H        -0.8741136298        0.3419194036       -0.3724140442    
H        -0.2787574923        -1.078861434       -0.5052113152E-01
O         0.7257595906        -3.025459546        -2.316871317    
H         0.2148819820        -2.419413190        -2.881043074    
H         0.2073889371        -3.086953569        -1.494644332    
O          3.146419856         2.351538084        0.1774841576    
H          2.427251684         2.986422587        0.3347048004    
H          2.809881807         1.760342831       -0.5340502310    
O         0.5430099258        0.6753084771         2.483892953    
H          1.513958941        0.6543893534         2.515544064    
H         0.3078820893        0.3817174261         1.575479994    
O         -3.087307401       -0.8418860211        -2.214182200    
H         -2.865951518        0.4051739478E-01    -1.868942452    
H         -2.305879307        -1.101216792        -2.733054671    
    63
Energy=    -106.833851356720    
O         0.6141782515         1.019852868        -3.824792687    
H         0.2017786008         1.733100881        -3.298988000    
H          1.419468482        0.8147821889        -3.304952911    
O        -0.5628734963         3.091969924         2.307430911    
H         -1.452279516         2.834713302         2.007285959    
H        -0.1278722345         2.238628158         2.526516638    
O        -0.8519917142E-02     2.984608919        -1.976808678    
H         0.6352152861E-02     3.790114496        -2.487844243    
H         0.4545083005         3.182222789        -1.133640513    
O         0.9141211634         3.949780435        0.3732631963    
H         0.3249447126         3.616531611         1.121525378    
H          1.063473683         4.875801590        0.5566483961    
O         -3.181559162       -0.3824436094         2.128427101    
H         -2.459736276       -0.7127296996         2.708900204    
H         -3.241243987        -1.012127652         1.392052282    
O         -2.058728102         1.405534090        -1.062091871    
H         -1.422976796         2.051006765        -1.412758562    
H         -2.423477643         1.767439691       -0.2318296037    
O         -1.057499293        -1.252086579         3.527419744    
H        -0.4803056775       -0.4872098791         3.350526777    
H        -0.5703149851        -2.009315532         3.171363206    
O         0.6344054799        -3.122365254         2.297974447    
H          1.443666204        -2.638593740         1.978699301    
H         0.9507955922        -3.944971098         2.670390111    
O        -0.6804187226        -2.730567330       -0.1400219861E-01
H         -1.647542242        -2.686251005        0.8808997656E-01
H        -0.3011217159        -2.983610084        0.8488271677    
O          2.956054773        -2.013740863        -1.393628157    
H          2.117350899        -2.404122322        -1.770579663    
H          3.676986136        -2.534150254        -1.746960805    
O          2.121955046        0.5629090509        -1.539771709    
H          2.590783646       -0.2873681851        -1.488724681    
H          1.284341024        0.4042953931        -1.054597762    
O        -0.8081659458        -1.207288304        -3.732970115    
H         -1.028131372        -1.421746253        -4.642591146    
H        -0.2955950940       -0.3557167029        -3.748011433    
O         -3.329984694        -2.195836548        0.1309969253E-01
H         -3.275623120        -1.688048468       -0.8441835763    
H         -4.109999570        -2.746553630       -0.4785640829E-01
O          3.242573668        0.6557706264         2.158801756    
H          3.963477224        0.8963170713         2.738994124    
H          3.254880567         1.309313173         1.401307480    
O         -2.944666521         2.086478011         1.379082144    
H         -3.785628192         2.478022673         1.613879767    
H         -2.993542953         1.134926019         1.698475149    
O          2.792043581        -1.959144039         1.359519741    
H          2.961411293        -1.045516834         1.643470440    
H          2.824259813        -1.953768471        0.3866251109    
O        -0.5766031543E-01   -0.1084658934       -0.5107360660E-01
H        -0.8537548062        0.3422035490       -0.3982831394    
H        -0.2523271750        -1.070196985       -0.6849530524E-01
O         0.7261297676        -3.026599583        -2.316445719    
H         0.2258852825        -2.407329738        -2.875593272    
H         0.2087596193        -3.083859540        -1.492963193    
O          3.152127590         2.342268656        0.1786509890    
H          2.413258869         2.958594670        0.3162881594    
H          2.854036118         1.745416988       -0.5423317050    
O         0.5406031086        0.6702625928         2.461551482    
H          1.510926619        0.6502144679         2.508539134    
H         0.3201920291        0.3796387846         1.548937146    
O         -3.085996726       -0.8375473982        -2.214854828    
H         -2.868336478        0.4531763352E-01    -1.869605892    
H         -2.303335467        -1.098007994        -2.731822248    
    63
Energy=    -106.834198502580    
O         0.6363930086         1.020998549        -3.776117274    
H         0.1548348398         1.747101889        -3.356859291    
H          1.316656333        0.8402394973        -3.105842111    
O        -0.5630161001         3.091267862         2.300555762    
H         -1.454225989         2.834270135         2.006552667    
H        -0.1287709736         2.238710986         2.522143380    
O        -0.2990370993E-01     3.022496308        -2.009792577    
H        -0.1027071895E-01     3.857927507        -2.476064443    
H         0.4216779405         3.198000416        -1.152814157    
O         0.9166725643         3.925164084        0.3572674214    
H         0.3273061436         3.596955949         1.107807142    
H          1.064190292         4.848780232        0.5302319988    
O         -3.180619879       -0.3818980981         2.127310958    
H         -2.459621365       -0.7128041286         2.708648467    
H         -3.241560779        -1.012450666         1.391682264    
O         -2.054232036         1.404572064        -1.057202776    
H         -1.442901331         2.067870011        -1.419841992    
H         -2.424106668         1.761525820       -0.2279913489    
O         -1.057166835        -1.250835324         3.526475679    
H        -0.4799691497       -0.4867963207         3.345807070    
H        -0.5705979915        -2.009469685         3.172777906    
O         0.6332132662        -3.123554590         2.299922667    
H          1.443711439        -2.639687915         1.983033661    
H         0.9487890978        -3.946534930         2.671207151    
O        -0.6775400998        -2.720385744       -0.1216180814E-01
H         -1.644934660        -2.680211870        0.8772272514E-01
H        -0.2994492659        -2.979550838        0.8494929125    
O          2.963116988        -2.040291424        -1.381174667    
H          2.123207154        -2.424064252        -1.761863425    
H          3.681940100        -2.550866987        -1.751975324    
O          2.131134930        0.5480089741        -1.561595390    
H          2.616461795       -0.2929760161        -1.509178969    
H          1.307470917        0.3815904317        -1.053264081    
O        -0.8015037280        -1.198223087        -3.718687488    
H         -1.005970265        -1.416848113        -4.638128062    
H        -0.2831011026       -0.3536108690        -3.753790474    
O         -3.329720609        -2.195450100        0.1226750953E-01
H         -3.275541951        -1.687381739       -0.8450155004    
H         -4.109100080        -2.746444996       -0.4865377936E-01
O          3.243361492        0.6555864579         2.162509120    
H          3.965001566        0.8926287294         2.741663473    
H          3.258791898         1.309172582         1.404849906    
O         -2.945215880         2.085891514         1.378684085    
H         -3.786722074         2.477417574         1.611487021    
H         -2.993580887         1.134329042         1.699335137    
O          2.791858450        -1.962462483         1.370073853    
H          2.962403666        -1.046613549         1.645208579    
H          2.831054124        -1.970447678        0.3973827481    
O        -0.3717400963E-01   -0.1031144856       -0.7830336568E-01
H        -0.8392672212        0.3489372293       -0.4111426771    
H        -0.2370702154        -1.064431522       -0.8250029740E-01
O         0.7255408244        -3.024439736        -2.316539280    
H         0.2296517081        -2.400176756        -2.873718609    
H         0.2081891324        -3.080714339        -1.492847556    
O          3.156183133         2.335621573        0.1752880378    
H          2.406902952         2.941469025        0.3062051153    
H          2.875664121         1.738897007       -0.5503843779    
O         0.5393472817        0.6663172933         2.448018636    
H          1.509074658        0.6463257394         2.504908911    
H         0.3277850798        0.3799612139         1.532439422    
O         -3.086603527       -0.8360051564        -2.213286368    
H         -2.867291264        0.4655636330E-01    -1.868121484    
H         -2.304325427        -1.095091064        -2.730592953    
    63
Energy=    -106.834852826670    
O         0.6355918522         1.000926434        -3.749623958    
H         0.1502261036         1.742575985        -3.374082224    
H          1.325187738        0.8059804758        -3.076303960    
O        -0.5621960849         3.090325740         2.297800858    
H         -1.454326147         2.834919114         2.003299332    
H        -0.1308719012         2.236391813         2.519727679    
O        -0.6639252611E-01     3.065777834        -1.994378891    
H        -0.2170220577E-01     3.887686639        -2.483982897    
H         0.3990261899         3.218773959        -1.149390530    
O         0.9151836976         3.915235732        0.3529268203    
H         0.3317892374         3.590679588         1.108722774    
H          1.068079967         4.843427457        0.5248378148    
O         -3.180825572       -0.3826805601         2.127565379    
H         -2.459961047       -0.7134171392         2.708559955    
H         -3.241433760        -1.012639994         1.391189523    
O         -2.046605720         1.402968055        -1.058633266    
H         -1.451720166         2.071885171        -1.425463254    
H         -2.419765649         1.760683417       -0.2268132131    
O         -1.056800813        -1.250123037         3.526268951    
H        -0.4804886378       -0.4868893690         3.342131747    
H        -0.5708884857        -2.010450003         3.173891527    
O         0.6316796278        -3.125281601         2.300751083    
H          1.442258621        -2.640617958         1.986588347    
H         0.9464808330        -3.948722078         2.672506285    
O        -0.6745287581        -2.710392851       -0.1057508873E-01
H         -1.642802523        -2.674625275        0.8673519104E-01
H        -0.2977701590        -2.975016412        0.8496374921    
O          2.962961800        -2.031630353        -1.391486248    
H          2.121344991        -2.431645198        -1.753164816    
H          3.682043519        -2.550699898        -1.749854857    
O          2.111340787        0.5354528953        -1.567579771    
H          2.610053244       -0.2976079150        -1.538014840    
H          1.310351223        0.3607266438        -1.021367022    
O        -0.7960398307        -1.197946126        -3.723077947    
H        -0.9940376926        -1.411840392        -4.629749258    
H        -0.2745835397       -0.3470491204        -3.752764886    
O         -3.328470133        -2.195105747        0.1077167233E-01
H         -3.276151820        -1.686397721       -0.8463649771    
H         -4.108230941        -2.746381694       -0.4896211152E-01
O          3.243936536        0.6540015961         2.163590673    
H          3.965663073        0.8913699342         2.743927295    
H          3.260021349         1.306805321         1.406372136    
O         -2.946812692         2.085465080         1.380770622    
H         -3.789228064         2.477022326         1.611540107    
H         -2.996106526         1.134317424         1.701097285    
O          2.793994403        -1.964661933         1.376161014    
H          2.963459408        -1.047027138         1.647319123    
H          2.835060925        -1.978554969        0.4039758586    
O        -0.2857747639E-01   -0.1017744198       -0.8047851784E-01
H        -0.8237397292        0.3550797709       -0.4239398791    
H        -0.2324353057        -1.062455464       -0.9435338305E-01
O         0.7282076044        -3.019935417        -2.313804154    
H         0.2300731816        -2.395958766        -2.873496627    
H         0.2062495358        -3.079702956        -1.495627357    
O          3.160018752         2.332654618        0.1733367660    
H          2.407845731         2.937320193        0.3025599831    
H          2.887199510         1.739411046       -0.5559491694    
O         0.5398858841        0.6664459882         2.441137324    
H          1.509199678        0.6442016848         2.502492043    
H         0.3311041789        0.3801299552         1.524553504    
O         -3.085445385       -0.8350290037        -2.210182215    
H         -2.866383661        0.4648615836E-01    -1.866931690    
H         -2.303685127        -1.092109938        -2.732839674    
    63
Energy=    -106.835378388350    
O         0.6411199758        0.9749029574        -3.731680039    
H         0.1536132255         1.734648885        -3.385463019    
H          1.307331917        0.7924519472        -3.030627404    
O        -0.5621634123         3.088935145         2.295611033    
H         -1.454312044         2.836122533         1.999390538    
H        -0.1325283217         2.233756761         2.516436223    
O        -0.1094032442         3.104164351        -1.994525763    
H        -0.2881590983E-01     3.920465006        -2.486963527    
H         0.3676216738         3.252652836        -1.149968867    
O         0.9222252251         3.905665848        0.3528352659    
H         0.3344733740         3.582661162         1.107614151    
H          1.070927663         4.834024663        0.5169485241    
O         -3.182183170       -0.3841700775         2.128046590    
H         -2.460258036       -0.7141222868         2.708281576    
H         -3.240900811        -1.012727781         1.390459384    
O         -2.040487040         1.399720981        -1.055776056    
H         -1.461968042         2.080223240        -1.433335284    
H         -2.414945148         1.756532905       -0.2262432576    
O         -1.056070430        -1.249620364         3.526406746    
H        -0.4805980431       -0.4866372128         3.337235366    
H        -0.5714286208        -2.010873851         3.175086258    
O         0.6299697921        -3.127558897         2.302071321    
H          1.441135937        -2.642110128         1.991138297    
H         0.9440244153        -3.951122316         2.673997811    
O        -0.6717639257        -2.702389122       -0.1070503446E-01
H         -1.639961565        -2.666821113        0.8602533851E-01
H        -0.2965410301        -2.968408996        0.8499160554    
O          2.964466733        -2.032526962        -1.390616228    
H          2.122482256        -2.434714513        -1.748405485    
H          3.682604397        -2.551747344        -1.750401328    
O          2.104495916        0.5307536398        -1.558403352    
H          2.601699250       -0.3039076537        -1.570295265    
H          1.316011698        0.3376439675       -0.9978861488    
O        -0.7915356243        -1.193538403        -3.721142638    
H        -0.9844595081        -1.413166042        -4.632762496    
H        -0.2637604240       -0.3446524201        -3.742467348    
O         -3.327350046        -2.195352316        0.9778341327E-02
H         -3.275722292        -1.685783314       -0.8470052563    
H         -4.107252261        -2.746274526       -0.4950919747E-01
O          3.245543863        0.6523905658         2.165199523    
H          3.966231618        0.8896628813         2.746475482    
H          3.261908294         1.304520069         1.407385229    
O         -2.948941377         2.085425286         1.382226615    
H         -3.791787459         2.476669155         1.611417802    
H         -2.998140505         1.134348333         1.702783846    
O          2.796760373        -1.968289017         1.381545156    
H          2.964552265        -1.049209505         1.649062258    
H          2.839543818        -1.984791581        0.4096208814    
O        -0.2099121962E-01   -0.1004899304       -0.8263846025E-01
H        -0.8075316272        0.3639804677       -0.4377625517    
H        -0.2262271052        -1.060984913       -0.1058770362    
O         0.7266848319        -3.018830960        -2.313720360    
H         0.2339624194        -2.390180810        -2.872417886    
H         0.2035812952        -3.077465324        -1.495201631    
O          3.164224006         2.327869883        0.1696305864    
H          2.408930044         2.928700081        0.2957847898    
H          2.895977461         1.738291033       -0.5640039120    
O         0.5398591755        0.6648986892         2.434491909    
H          1.508743689        0.6418881585         2.499227583    
H         0.3348524386        0.3807982110         1.516308578    
O         -3.083924037       -0.8333896180        -2.211473106    
H         -2.864544451        0.4746378418E-01    -1.863765363    
H         -2.302551207        -1.089618525        -2.733886273    
    63
Energy=    -106.835841549810    
O         0.6496341703        0.9774737032        -3.724683806    
H         0.1617448669         1.729697735        -3.367620691    
H          1.310392200        0.7771793442        -3.022500396    
O        -0.5619722711         3.086141832         2.293652433    
H         -1.453854409         2.836964563         1.994350267    
H        -0.1342703854         2.228949801         2.511935916    
O        -0.1430639870         3.140383085        -2.001159957    
H        -0.4289327283E-01     3.950405711        -2.502398554    
H         0.3204134098         3.293392945        -1.149283940    
O         0.9279744061         3.896336023        0.3545149005    
H         0.3384798264         3.579323753         1.108246210    
H          1.074861293         4.829926526        0.5171658126    
O         -3.185040153       -0.3865736349         2.129313863    
H         -2.461240793       -0.7149426986         2.708326367    
H         -3.239916028        -1.012750153         1.389517599    
O         -2.030611282         1.395270855        -1.053154907    
H         -1.473309586         2.088834546        -1.440794860    
H         -2.406980851         1.749885609       -0.2250745066    
O         -1.055071820        -1.247872135         3.525870827    
H        -0.4797886958       -0.4861281651         3.329843965    
H        -0.5723324709        -2.011071635         3.176680301    
O         0.6281944737        -3.129921582         2.303609025    
H          1.441161228        -2.645436069         1.996869919    
H         0.9399767335        -3.954536432         2.675823369    
O        -0.6699179747        -2.697958063       -0.1279009618E-01
H         -1.637680736        -2.654963081        0.8489206474E-01
H        -0.2946760213        -2.957428725        0.8500195817    
O          2.964381041        -2.034326947        -1.387755597    
H          2.121561630        -2.428809166        -1.752122874    
H          3.683479663        -2.549656687        -1.751104643    
O          2.108907004        0.5235649310        -1.538589594    
H          2.586870629       -0.3199777811        -1.590080128    
H          1.321667568        0.3227819866       -0.9773089941    
O        -0.7982396173        -1.206981807        -3.717323917    
H        -0.9719663650        -1.411736875        -4.635253055    
H        -0.2657387883       -0.3638041696        -3.726006635    
O         -3.325180009        -2.195090185        0.8274872373E-02
H         -3.273892259        -1.685766389       -0.8482439432    
H         -4.105185940        -2.746271687       -0.5049924178E-01
O          3.246505789        0.6499322279         2.165089537    
H          3.966140484        0.8889947716         2.748065273    
H          3.265160697         1.299447321         1.405100964    
O         -2.952107991         2.084618429         1.380765806    
H         -3.794427647         2.475780866         1.611672630    
H         -3.000444710         1.134590002         1.704290174    
O          2.800392439        -1.973194784         1.383006841    
H          2.966990453        -1.054857101         1.653142998    
H          2.844439609        -1.983494547        0.4110991684    
O        -0.1815880538E-01   -0.1018450420       -0.8133715499E-01
H        -0.7926243600        0.3729703952       -0.4496817648    
H        -0.2289163588        -1.061356593       -0.1106928280    
O         0.7258530719        -3.017176621        -2.312561715    
H         0.2375421036        -2.385758087        -2.871020676    
H         0.1997811097        -3.074533307        -1.495286415    
O          3.173135278         2.323972055        0.1618880164    
H          2.415181816         2.920702529        0.2905074630    
H          2.899394120         1.730639976       -0.5669237035    
O         0.5407113976        0.6631679455         2.433290961    
H          1.509946396        0.6411660722         2.495569871    
H         0.3349468030        0.3817644071         1.514592153    
O         -3.080901748       -0.8308152235        -2.214824655    
H         -2.859719841        0.4730707096E-01    -1.860816466    
H         -2.299185431        -1.085774042        -2.736583957    
    63
Energy=    -106.836062824410    
O         0.6425347615        0.9834488458        -3.706291578    
H         0.1699812570         1.740250565        -3.336175168    
H          1.321152215        0.7862919786        -3.018752634    
O        -0.5621417302         3.081724026         2.290192760    
H         -1.454407078         2.835392658         1.990222133    
H        -0.1358789701         2.223261232         2.507621754    
O        -0.1698396240         3.175983036        -2.016218876    
H        -0.6692799740E-01     3.979731465        -2.527329991    
H         0.2728478240         3.333885836        -1.153621175    
O         0.9199876960         3.895775043        0.3468686363    
H         0.3432169665         3.574012881         1.109872477    
H          1.082250951         4.821774852        0.5202802179    
O         -3.186670729       -0.3873712140         2.129956401    
H         -2.463469245       -0.7156132083         2.709846979    
H         -3.239949006        -1.012896764         1.389401024    
O         -2.018578943         1.394585443        -1.052483207    
H         -1.485213516         2.099651431        -1.448637790    
H         -2.398820104         1.740199798       -0.2213661738    
O         -1.055078053        -1.244566494         3.522082535    
H        -0.4775290464       -0.4854397200         3.322049178    
H        -0.5734608105        -2.011384664         3.179311358    
O         0.6276910051        -3.130511923         2.305929311    
H          1.443792692        -2.650770097         2.000591475    
H         0.9329862690        -3.958105023         2.676552901    
O        -0.6698579634        -2.692908121       -0.1396382780E-01
H         -1.637445947        -2.644208566        0.8438282669E-01
H        -0.2923445984        -2.946330207        0.8494643277    
O          2.963758418        -2.036623777        -1.390245250    
H          2.120213034        -2.428821852        -1.758634725    
H          3.684155713        -2.550256455        -1.752554542    
O          2.115335177        0.5022819014        -1.539432831    
H          2.586191451       -0.3459470352        -1.576775703    
H          1.333331015        0.3233035089       -0.9636633344    
O        -0.7998340918        -1.223326653        -3.717604726    
H        -0.9627586057        -1.418185833        -4.640360481    
H        -0.2714849212       -0.3786940066        -3.703550329    
O         -3.322293856        -2.192630567        0.5621381659E-02
H         -3.271752898        -1.685600620       -0.8527360451    
H         -4.100455821        -2.746246659       -0.5199878874E-01
O          3.246510597        0.6485487429         2.162320786    
H          3.963842252        0.8890704508         2.746637822    
H          3.271881427         1.293182911         1.397990176    
O         -2.955443447         2.081398471         1.375768615    
H         -3.795929349         2.474528202         1.610648039    
H         -3.002959460         1.133098502         1.704433299    
O          2.802713385        -1.977517871         1.382451425    
H          2.971678924        -1.062462178         1.661343518    
H          2.848789463        -1.980503976        0.4104269185    
O        -0.1581183993E-01   -0.1040172800       -0.8126948905E-01
H        -0.7836688730        0.3768813714       -0.4547452202    
H        -0.2398435381        -1.061181682       -0.1073360784    
O         0.7301128321        -3.012357411        -2.308970847    
H         0.2359193216        -2.388140493        -2.871271342    
H         0.1994615649        -3.073288066        -1.495655929    
O          3.184753329         2.317123250        0.1575007754    
H          2.427092697         2.914873754        0.2854572779    
H          2.905718825         1.714398287       -0.5616172800    
O         0.5430707160        0.6628081029         2.435253145    
H          1.513033374        0.6420859881         2.492832781    
H         0.3320015592        0.3809596179         1.517695087    
O         -3.078266165       -0.8276478408        -2.214695560    
H         -2.852447371        0.4804149444E-01    -1.859102979    
H         -2.298932013        -1.084239782        -2.740435959    
    63
Energy=    -106.836198359220    
O         0.6344080983        0.9812556240        -3.687208653    
H         0.1685448632         1.748126181        -3.328005600    
H          1.313177184        0.7976152568        -3.000548018    
O        -0.5623102138         3.079644872         2.288716982    
H         -1.455022599         2.833737236         1.988827554    
H        -0.1365765719         2.221285692         2.506403450    
O        -0.1848913883         3.190517616        -2.026014020    
H        -0.7766898757E-01     3.994961750        -2.532490996    
H         0.2575657666         3.353118649        -1.163439050    
O         0.9156438553         3.892541184        0.3407677374    
H         0.3429660360         3.569398062         1.106456978    
H          1.086263646         4.817265980        0.5188530690    
O         -3.187042263       -0.3872223296         2.130005482    
H         -2.464399380       -0.7156215875         2.710516756    
H         -3.240479536        -1.012847784         1.389675601    
O         -2.015974313         1.394508768        -1.052821007    
H         -1.490889880         2.106367171        -1.452064440    
H         -2.396092184         1.736806674       -0.2200068267    
O         -1.055460647        -1.243366887         3.520041821    
H        -0.4764989730       -0.4852746885         3.319647184    
H        -0.5738668595        -2.011439045         3.180399376    
O         0.6277259574        -3.129580610         2.306953074    
H          1.445211100        -2.653260658         2.000799215    
H         0.9296328832        -3.959746298         2.676288757    
O        -0.6702062987        -2.689659315       -0.1341329576E-01
H         -1.637986775        -2.642073033        0.8521067483E-01
H        -0.2921202343        -2.943582548        0.8495631149    
O          2.964784005        -2.041576277        -1.389375687    
H          2.121812692        -2.433472648        -1.758678466    
H          3.685835266        -2.554513157        -1.755372291    
O          2.122098111        0.4966459595        -1.541585885    
H          2.591875243       -0.3561035480        -1.566014641    
H          1.340655834        0.3219641344       -0.9650816214    
O        -0.7956495662        -1.223747025        -3.718385845    
H        -0.9582557760        -1.422156304        -4.641694280    
H        -0.2706798099       -0.3761123163        -3.696933544    
O         -3.321106190        -2.190640794        0.4235838307E-02
H         -3.271000384        -1.684926153       -0.8549493386    
H         -4.098130407        -2.746596962       -0.5283589212E-01
O          3.246434028        0.6474578506         2.159952735    
H          3.963579630        0.8891289021         2.746879617    
H          3.275283321         1.291130234         1.395578747    
O         -2.956094784         2.079716837         1.374497162    
H         -3.796052135         2.473998663         1.608929720    
H         -3.004121420         1.131448074         1.703406266    
O          2.803769344        -1.979615998         1.383520858    
H          2.973718105        -1.065097609         1.664285751    
H          2.849801675        -1.981757842        0.4116104102    
O        -0.1373902254E-01   -0.1032329674       -0.8009782665E-01
H        -0.7809506910        0.3783551038       -0.4557504743    
H        -0.2406035858        -1.059566481       -0.1063939675    
O         0.7304432641        -3.012691911        -2.309167147    
H         0.2352354290        -2.390382351        -2.872224010    
H         0.2020066080        -3.072913535        -1.493686486    
O          3.186857800         2.311953284        0.1575151339    
H          2.431170768         2.911527525        0.2805625108    
H          2.911547370         1.706492471       -0.5615058999    
O         0.5439995385        0.6628647299         2.434332919    
H          1.513671747        0.6421494684         2.491617642    
H         0.3322298843        0.3795053597         1.517103637    
O         -3.077616391       -0.8262585273        -2.214263160    
H         -2.848891950        0.4979672117E-01    -1.858266589    
H         -2.301058735        -1.085491244        -2.741371336    
    63
Energy=    -106.836247365770    
O         0.6254554174        0.9825241702        -3.669053282    
H         0.1648280644         1.756186252        -3.319571286    
H          1.308472787        0.8036619546        -2.985920094    
O        -0.5624159601         3.077780777         2.287531559    
H         -1.455341888         2.831921612         1.987347448    
H        -0.1372600385         2.219119560         2.505375646    
O        -0.2003876518         3.205446959        -2.033759711    
H        -0.8904349608E-01     4.009834603        -2.538604320    
H         0.2445177069         3.370873395        -1.173159757    
O         0.9125864744         3.888701416        0.3351233341    
H         0.3415359628         3.565742492         1.101790492    
H          1.089967209         4.813243677        0.5179110682    
O         -3.187931274       -0.3873479773         2.130364590    
H         -2.465105654       -0.7154811109         2.710901790    
H         -3.240958154        -1.012746631         1.389812497    
O         -2.013820189         1.395373716        -1.053984902    
H         -1.496517917         2.111438364        -1.454391233    
H         -2.393047158         1.734376022       -0.2195761027    
O         -1.055747763        -1.242310446         3.518462826    
H        -0.4756697984       -0.4851695640         3.317449301    
H        -0.5742220889        -2.011457075         3.181209961    
O         0.6276320852        -3.129267131         2.307975121    
H          1.446530981        -2.655572876         2.000863451    
H         0.9262292677        -3.960904628         2.675707401    
O        -0.6705725734        -2.686971263       -0.1275205339E-01
H         -1.638512258        -2.640371638        0.8626028668E-01
H        -0.2922523863        -2.941191066        0.8499971921    
O          2.967330978        -2.047545899        -1.388467770    
H          2.123236713        -2.437414023        -1.758442116    
H          3.686883388        -2.558040531        -1.757937169    
O          2.131330673        0.4922083871        -1.538091737    
H          2.596136082       -0.3649810957        -1.556839655    
H          1.346335254        0.3198438247       -0.9676069570    
O        -0.7923926410        -1.224430783        -3.717736733    
H        -0.9523900859        -1.423803426        -4.641920946    
H        -0.2710624757       -0.3743973072        -3.692690175    
O         -3.320284294        -2.188968254        0.3074928245E-02
H         -3.270254177        -1.683901574       -0.8568515284    
H         -4.095635364        -2.746875766       -0.5375649863E-01
O          3.248032838        0.6457415686         2.158853649    
H          3.962455245        0.8888138037         2.746735768    
H          3.277989981         1.289125069         1.393501040    
O         -2.956338547         2.078251684         1.373600958    
H         -3.796193523         2.473363186         1.606998648    
H         -3.005425577         1.129710147         1.702155273    
O          2.805384676        -1.981905765         1.384816831    
H          2.975500140        -1.067588974         1.666493400    
H          2.850479420        -1.982941797        0.4129422875    
O        -0.1234612134E-01   -0.1016921906       -0.7755410113E-01
H        -0.7776863022        0.3802201274       -0.4566223153    
H        -0.2401983797        -1.057968787       -0.1055624875    
O         0.7300764838        -3.014598107        -2.309671811    
H         0.2349601683        -2.392428560        -2.873046422    
H         0.2048606356        -3.072158355        -1.491696381    
O          3.188727027         2.307136568        0.1568788997    
H          2.434240066         2.908275990        0.2750567393    
H          2.916865575         1.699323645       -0.5623092772    
O         0.5446376768        0.6628289439         2.433483777    
H          1.514366293        0.6422098779         2.490243889    
H         0.3328102145        0.3780091047         1.516503863    
O         -3.077046146       -0.8244210987        -2.214129183    
H         -2.845108573        0.5108205526E-01    -1.857808766    
H         -2.302715927        -1.086757652        -2.742399663    
    63
Energy=    -106.836681305380    
O         0.5714595254         1.036634492        -3.579019680    
H         0.1286461303         1.799721329        -3.183691536    
H          1.285430418        0.8176152843        -2.942151004    
O        -0.5603622675         3.067963636         2.260297887    
H         -1.456845364         2.815114324         1.979006016    
H        -0.1320176615         2.216171426         2.497043214    
O        -0.3024086936         3.320525481        -2.068127712    
H        -0.1882327125         4.108234876        -2.599092691    
H         0.1920036262         3.477942962        -1.234132651    
O         0.9016459827         3.869140518        0.2866761037    
H         0.3195042035         3.539565805         1.041529016    
H          1.114433852         4.776321237        0.5101153049    
O         -3.201247286       -0.3921923465         2.134767587    
H         -2.470361024       -0.7126749167         2.709441115    
H         -3.248438571        -1.013548549         1.390066074    
O         -2.002449933         1.403253809        -1.056600180    
H         -1.532981484         2.141436534        -1.471582914    
H         -2.392775883         1.736066946       -0.2238476748    
O         -1.057566959        -1.239109554         3.514402199    
H        -0.4751110664       -0.4839443694         3.313989074    
H        -0.5758941178        -2.009453925         3.179550458    
O         0.6247704639        -3.130450375         2.304641610    
H          1.452360423        -2.666653778         2.003848891    
H         0.9077334824        -3.969351586         2.667133606    
O        -0.6661778715        -2.672090101       -0.3156175789E-02
H         -1.635317196        -2.634656737        0.8792911354E-01
H        -0.2953636293        -2.936753842        0.8606107639    
O          2.984921592        -2.103381590        -1.378639326    
H          2.139024840        -2.484938268        -1.750267863    
H          3.700568084        -2.593002890        -1.783445621    
O          2.169935712        0.4634035615        -1.508062814    
H          2.638136326       -0.3885766262        -1.509513492    
H          1.373331829        0.2965687078       -0.9492033906    
O        -0.7799012944        -1.220261357        -3.709639113    
H        -0.9000526967        -1.413438712        -4.640290120    
H        -0.2963998355       -0.3508876980        -3.660245377    
O         -3.316804438        -2.178532206       -0.2290332709E-02
H         -3.269528124        -1.666851033       -0.8589789224    
H         -4.080559659        -2.750023107       -0.6831625101E-01
O          3.261224089        0.6277161122         2.153883651    
H          3.960300696        0.8856866426         2.754007053    
H          3.287171188         1.272938636         1.390755980    
O         -2.954574314         2.063259456         1.363865783    
H         -3.794308725         2.466746322         1.583255498    
H         -3.014285897         1.115854586         1.696644525    
O          2.815622273        -2.001251458         1.400367094    
H          2.986953849        -1.084212708         1.671122864    
H          2.858388686        -2.015725863        0.4289773320    
O         0.5254965264E-02   -0.8480872427E-01   -0.7920263052E-01
H        -0.7637738607        0.4001083719       -0.4497139950    
H        -0.2230294261        -1.040263221       -0.9620961997E-01
O         0.7307820415        -3.041813869        -2.303363920    
H         0.2421537096        -2.417801370        -2.869693214    
H         0.2163808629        -3.073483072        -1.476961397    
O          3.201671512         2.298293279        0.1462833663    
H          2.426577462         2.879779353        0.2309966692    
H          2.958446656         1.667206126       -0.5626930724    
O         0.5568764780        0.6547699729         2.434297978    
H          1.526735942        0.6380866418         2.486843731    
H         0.3446681213        0.3769554066         1.514878462    
O         -3.073776575       -0.8131300202        -2.220194004    
H         -2.818713200        0.5709570223E-01    -1.866497302    
H         -2.307344155        -1.096156062        -2.748894541    
    63
Energy=    -106.837267286550    
O         0.5351546343         1.065218603        -3.527790456    
H         0.1033144775         1.828840684        -3.118869947    
H          1.262761736        0.8389906015        -2.911200140    
O        -0.5548372816         3.066392800         2.230215990    
H         -1.452272369         2.804077052         1.960578857    
H        -0.1186571720         2.220937687         2.475228667    
O        -0.3301946900         3.346264161        -2.088197282    
H        -0.2482835853         4.144342838        -2.610828078    
H         0.1709787931         3.498054443        -1.255776974    
O         0.8987139878         3.857853540        0.2523533405    
H         0.3179003558         3.525748689         1.008019216    
H          1.127544366         4.757765995        0.4869909787    
O         -3.207336783       -0.3967944505         2.137419658    
H         -2.475529863       -0.7185405534         2.710320125    
H         -3.256600260        -1.018121648         1.392955007    
O         -2.004165520         1.412917366        -1.063357097    
H         -1.544828798         2.161045395        -1.472194102    
H         -2.398410990         1.732959713       -0.2272749881    
O         -1.059174102        -1.237992551         3.512069561    
H        -0.4755641836       -0.4814701203         3.318978935    
H        -0.5783356754        -2.007061949         3.174628942    
O         0.6200617512        -3.137129556         2.312438350    
H          1.444980243        -2.668649084         2.014052706    
H         0.9092387195        -3.979586962         2.662696262    
O        -0.6614875831        -2.666703489       -0.5869406047E-02
H         -1.630346829        -2.620835102        0.8356653352E-01
H        -0.2915116858        -2.929516790        0.8580730989    
O          2.999120776        -2.129092139        -1.373828886    
H          2.147850382        -2.507134713        -1.735853508    
H          3.709808093        -2.620003934        -1.784700657    
O          2.188940213        0.4421784620        -1.506452898    
H          2.644906485       -0.4163811870        -1.531493323    
H          1.397974692        0.2800655574       -0.9396521696    
O        -0.7653131860        -1.206929571        -3.699208049    
H        -0.8726016221        -1.383665572        -4.634407091    
H        -0.3039808907       -0.3265530533        -3.632214453    
O         -3.316364135        -2.176540235       -0.4667729980E-02
H         -3.265969072        -1.660399736       -0.8579572899    
H         -4.078582760        -2.750399255       -0.8084011229E-01
O          3.267978085        0.6254656950         2.151363240    
H          3.963640405        0.8818035999         2.755867853    
H          3.289007693         1.280291869         1.396446517    
O         -2.958586445         2.058692869         1.360218521    
H         -3.802405232         2.459841837         1.570091774    
H         -3.018049462         1.112707114         1.695980145    
O          2.820992414        -2.018556814         1.407693590    
H          2.990976324        -1.096311782         1.662246564    
H          2.879175243        -2.050932220        0.4378877410    
O         0.9453453764E-02   -0.8098742849E-01   -0.7453534344E-01
H        -0.7494929821        0.4098252527       -0.4540019553    
H        -0.2245346071        -1.035256872       -0.1011981018    
O         0.7302549195        -3.054723845        -2.291530800    
H         0.2541270180        -2.420001965        -2.856209589    
H         0.2049198520        -3.085924402        -1.471909643    
O          3.196603463         2.301822725        0.1497378348    
H          2.412157469         2.871909335        0.2306097904    
H          2.969103645         1.673979832       -0.5672645013    
O         0.5669816510        0.6607723034         2.441918192    
H          1.536930896        0.6267162194         2.497961133    
H         0.3543006890        0.3850995052         1.522553865    
O         -3.068097419       -0.8112164540        -2.222445582    
H         -2.818327106        0.6297821152E-01    -1.875137800    
H         -2.299499534        -1.091388921        -2.750785553    
    63
Energy=    -106.837347244060    
O         0.5334051088         1.067183900        -3.523889466    
H         0.1021671824         1.830974605        -3.114577795    
H          1.262182612        0.8394510653        -2.908530005    
O        -0.5541411953         3.065869692         2.227694905    
H         -1.451840212         2.803730651         1.958545431    
H        -0.1179819937         2.220782810         2.473779195    
O        -0.3352588754         3.350071503        -2.088669757    
H        -0.2529214654         4.147814042        -2.611666056    
H         0.1679979635         3.501393715        -1.257546618    
O         0.8991229829         3.856805586        0.2503903152    
H         0.3174908645         3.525520035         1.005795465    
H          1.128404436         4.756356751        0.4847895829    
O         -3.207965788       -0.3971851838         2.137648517    
H         -2.475939336       -0.7186818507         2.710405151    
H         -3.257164156        -1.018429728         1.393092735    
O         -2.003316174         1.413037497        -1.063626044    
H         -1.546666639         2.162222416        -1.472442849    
H         -2.398068566         1.732590342       -0.2275491010    
O         -1.059183602        -1.237450728         3.511872548    
H        -0.4755718930       -0.4813744121         3.318719846    
H        -0.5783966894        -2.006979687         3.174605825    
O         0.6198778363        -3.137770514         2.312458124    
H          1.444992625        -2.669136067         2.014944063    
H         0.9086290403        -3.980221582         2.662490724    
O        -0.6616889388        -2.665696734       -0.5696778193E-02
H         -1.630606957        -2.619944685        0.8378337525E-01
H        -0.2915587277        -2.928808857        0.8582577534    
O          2.999589493        -2.131256092        -1.373292612    
H          2.148180522        -2.508851901        -1.735176172    
H          3.710175156        -2.622121285        -1.784735471    
O          2.189900865        0.4405746859        -1.505949747    
H          2.644470396       -0.4185472317        -1.533378685    
H          1.399893779        0.2778348966       -0.9381828542    
O        -0.7646804567        -1.207317079        -3.697588372    
H        -0.8698512593        -1.380496822        -4.633155384    
H        -0.3046479144       -0.3263545167        -3.630018238    
O         -3.316269756        -2.176428120       -0.5163796296E-02
H         -3.265312046        -1.660038911       -0.8584774839    
H         -4.077950085        -2.750345134       -0.8152184082E-01
O          3.268597145        0.6248194713         2.151619091    
H          3.963958941        0.8814137131         2.755861116    
H          3.289022135         1.279541607         1.396503223    
O         -2.959629941         2.058381366         1.360057186    
H         -3.802751700         2.459034865         1.569251562    
H         -3.018576619         1.112182468         1.696088639    
O          2.821530217        -2.019520512         1.408231270    
H          2.991565330        -1.097579214         1.662016985    
H          2.880619212        -2.052937023        0.4383608580    
O         0.1043600647E-01   -0.7986929008E-01   -0.7512738416E-01
H        -0.7482433742        0.4108643372       -0.4548321619    
H        -0.2242938761        -1.034321514       -0.1012575730    
O         0.7304908489        -3.054905521        -2.290952167    
H         0.2550041411        -2.419496392        -2.855841486    
H         0.2051654171        -3.086699959        -1.471718705    
O          3.196676884         2.302377572        0.1488487132    
H          2.411536588         2.871024148        0.2299041982    
H          2.969861430         1.673576536       -0.5668536973    
O         0.5676918548        0.6604249925         2.442500532    
H          1.537658470        0.6266491555         2.498421977    
H         0.3547406107        0.3851662754         1.523115324    
O         -3.067472964       -0.8105262425        -2.222736490    
H         -2.818035837        0.6313629744E-01    -1.875534467    
H         -2.298537954        -1.090756610        -2.750855490    
    63
Energy=    -106.837980940320    
O         0.5312617066         1.085758602        -3.510516134    
H         0.9901684229E-01     1.847575189        -3.098378211    
H          1.263085282        0.8580615861        -2.899999549    
O        -0.5506805031         3.063260045         2.204709185    
H         -1.446784258         2.799518393         1.932833950    
H        -0.1160162974         2.218716403         2.456639435    
O        -0.3606413579         3.355084991        -2.080510647    
H        -0.2859490398         4.153890901        -2.603166867    
H         0.1593406420         3.500432102        -1.257887496    
O         0.9025627434         3.860988629        0.2306491362    
H         0.3207359847         3.533265804        0.9880720543    
H          1.133015277         4.762798548        0.4551069519    
O         -3.215066100       -0.4011329975         2.140275668    
H         -2.479702647       -0.7188530703         2.710850343    
H         -3.261347208        -1.020641075         1.394217390    
O         -2.005702102         1.409044533        -1.059762377    
H         -1.558084065         2.161062120        -1.473646465    
H         -2.400533351         1.726660788       -0.2228997545    
O         -1.060053408        -1.235832842         3.510690116    
H        -0.4752655536       -0.4805475126         3.318536156    
H        -0.5783353968        -2.006132216         3.176502143    
O         0.6206896740        -3.139056663         2.312792068    
H          1.449332314        -2.677589018         2.014151635    
H         0.9017112004        -3.984956216         2.661203666    
O        -0.6655337352        -2.658661843       -0.2334431351E-02
H         -1.634411460        -2.616856737        0.8846501226E-01
H        -0.2965000194        -2.925733836        0.8609613620    
O          3.001920776        -2.148014581        -1.369311037    
H          2.148637118        -2.521651124        -1.731414032    
H          3.708872527        -2.647922876        -1.776508927    
O          2.194603422        0.4305569066        -1.510762427    
H          2.647055244       -0.4293754086        -1.542168013    
H          1.404461627        0.2708144518       -0.9418224686    
O        -0.7547067979        -1.198181838        -3.680794600    
H        -0.8615446140        -1.354282224        -4.619474101    
H        -0.2997485386       -0.3161427130        -3.596429263    
O         -3.316277450        -2.172099215       -0.1061902981E-01
H         -3.260422209        -1.660238710       -0.8668288285    
H         -4.074837869        -2.749956689       -0.9032541131E-01
O          3.271176668        0.6198987480         2.150796430    
H          3.971126026        0.8777920128         2.748915625    
H          3.288431173         1.272979086         1.394269281    
O         -2.965639789         2.052793241         1.359735861    
H         -3.810824234         2.451974370         1.566811302    
H         -3.024762153         1.106978168         1.696543567    
O          2.828427679        -2.027896805         1.408627519    
H          2.997687645        -1.105614486         1.660917515    
H          2.886768001        -2.062324658        0.4384228373    
O         0.1504040125E-01   -0.7047969317E-01   -0.7267792744E-01
H        -0.7419272524        0.4195584387       -0.4576882532    
H        -0.2197359737        -1.024786709       -0.9585751066E-01
O         0.7329066804        -3.055946265        -2.292463932    
H         0.2617174383        -2.411207288        -2.850644839    
H         0.2113301674        -3.087271979        -1.471075089    
O          3.188894774         2.296319343        0.1536734374    
H          2.408453622         2.872374160        0.2251802054    
H          2.966549457         1.667704672       -0.5635737977    
O         0.5705775754        0.6603973476         2.447001370    
H          1.540613661        0.6302500997         2.503781574    
H         0.3602657379        0.3798810298         1.528517928    
O         -3.062865023       -0.8072919962        -2.226439770    
H         -2.819160651        0.6630432810E-01    -1.874641814    
H         -2.286698928        -1.085258149        -2.745718240    
    63
Energy=    -106.838103492700    
O         0.5349628691         1.096300068        -3.507409056    
H         0.1006048931         1.854838467        -3.089695978    
H          1.269913396        0.8677089486        -2.900043074    
O        -0.5505724790         3.061660235         2.184315474    
H         -1.447010429         2.796490828         1.916830727    
H        -0.1154712092         2.218770436         2.442732640    
O        -0.3749218889         3.355964249        -2.077328766    
H        -0.3092250165         4.158761299        -2.594629550    
H         0.1435268760         3.505637022        -1.253936708    
O         0.9089862728         3.868520171        0.2176184754    
H         0.3296872584         3.539757341        0.9759939983    
H          1.132356763         4.773432458        0.4359608316    
O         -3.220269542       -0.4046445723         2.142094720    
H         -2.482589806       -0.7199611707         2.711343829    
H         -3.263687346        -1.020877561         1.393679036    
O         -2.010534760         1.402945850        -1.054967645    
H         -1.568969586         2.156531290        -1.471867633    
H         -2.404732088         1.721336434       -0.2178575886    
O         -1.060828559        -1.236435680         3.509848172    
H        -0.4763340417       -0.4803283292         3.319521145    
H        -0.5778413406        -2.006477876         3.177957842    
O         0.6219823788        -3.138920854         2.312650060    
H          1.453670855        -2.684797780         2.010655589    
H         0.8961798457        -3.987241966         2.660590158    
O        -0.6637093597        -2.654741796       -0.3954432627E-03
H         -1.632095554        -2.609996465        0.8587979243E-01
H        -0.2963676960        -2.921684985        0.8649393723    
O          3.004594158        -2.155091861        -1.370810009    
H          2.149953132        -2.528271999        -1.730427951    
H          3.708771848        -2.667685271        -1.766933502    
O          2.195084961        0.4259878703        -1.512172098    
H          2.649697045       -0.4319661751        -1.541207672    
H          1.405758466        0.2647234616       -0.9425206412    
O        -0.7457720449        -1.186104710        -3.664161532    
H        -0.8567836207        -1.335059999        -4.603454118    
H        -0.2908775568       -0.3029280987        -3.582499586    
O         -3.317801378        -2.170408404       -0.1502070140E-01
H         -3.261180694        -1.656516608       -0.8707558371    
H         -4.074292087        -2.749840204       -0.9871616931E-01
O          3.274744852        0.6130603266         2.149783011    
H          3.977653703        0.8732297044         2.744041953    
H          3.284460207         1.267591680         1.394398905    
O         -2.970548099         2.047991089         1.359698392    
H         -3.814527922         2.447924161         1.565884194    
H         -3.029675272         1.102152320         1.697850332    
O          2.834780682        -2.034350271         1.409482949    
H          3.001326846        -1.111301269         1.662952972    
H          2.887291657        -2.065742124        0.4391893735    
O         0.2116360446E-01   -0.6809610460E-01   -0.7216361553E-01
H        -0.7357915346        0.4252644626       -0.4526347843    
H        -0.2193508310        -1.021562971       -0.9186597967E-01
O         0.7308977858        -3.057952244        -2.289876978    
H         0.2655684746        -2.409293163        -2.848284940    
H         0.2095110579        -3.083019707        -1.467763510    
O          3.186209626         2.289155859        0.1519316405    
H          2.409269632         2.868270825        0.2198473883    
H          2.962332944         1.659207761       -0.5645554610    
O         0.5725810599        0.6625564719         2.446815339    
H          1.541785234        0.6315394484         2.507263985    
H         0.3646276282        0.3782215148         1.528029550    
O         -3.061700741       -0.8065914015        -2.228543955    
H         -2.819388978        0.6589236662E-01    -1.872118985    
H         -2.280573448        -1.082775197        -2.741652899    
    63
Energy=    -106.838396189370    
O         0.5373384968         1.108852611        -3.501903266    
H         0.1027754725         1.865700882        -3.082175879    
H          1.273705436        0.8804500761        -2.896845082    
O        -0.5477266264         3.061802523         2.165990846    
H         -1.447023479         2.795512378         1.903718014    
H        -0.1131451516         2.221229494         2.428885199    
O        -0.3914880450         3.359648834        -2.074325283    
H        -0.3341975975         4.163121599        -2.591260190    
H         0.1360092310         3.507467581        -1.255670810    
O         0.9126421856         3.873845910        0.2069912301    
H         0.3323281494         3.545463188        0.9650052727    
H          1.130801937         4.780856288        0.4230308736    
O         -3.221929605       -0.4066132802         2.141419998    
H         -2.486299326       -0.7239141771         2.712351932    
H         -3.267494853        -1.023419394         1.393926488    
O         -2.008296599         1.397718796        -1.049550120    
H         -1.577347185         2.156010635        -1.469691694    
H         -2.410724630         1.715950341       -0.2152542756    
O         -1.062274765        -1.236090896         3.507934371    
H        -0.4760776048       -0.4794172527         3.319341475    
H        -0.5764213249        -2.005129222         3.178300060    
O         0.6235745789        -3.139907587         2.310026439    
H          1.457968314        -2.687350423         2.013049248    
H         0.8928071443        -3.989216032         2.659900040    
O        -0.6632949896        -2.645341113        0.2535473165E-02
H         -1.632189574        -2.606321281        0.8543841953E-01
H        -0.2976728809        -2.917973756        0.8656943739    
O          3.006217805        -2.163825347        -1.368523032    
H          2.150826610        -2.532195164        -1.731632669    
H          3.709095058        -2.683396516        -1.757328157    
O          2.201499797        0.4200596512        -1.512471237    
H          2.654992760       -0.4393374205        -1.540782477    
H          1.408772454        0.2604767387       -0.9465682545    
O        -0.7365741431        -1.173619993        -3.652662066    
H        -0.8537978708        -1.322565533        -4.590882594    
H        -0.2831501258       -0.2895023255        -3.572636434    
O         -3.317408127        -2.169215508       -0.1847875654E-01
H         -3.261059616        -1.653437962       -0.8731992502    
H         -4.072408411        -2.750166985       -0.1040148157    
O          3.273799922        0.6101496462         2.152161476    
H          3.983412482        0.8667007197         2.739731971    
H          3.283993344         1.259802907         1.393062735    
O         -2.975017890         2.043556398         1.361029143    
H         -3.818975009         2.444998872         1.565414135    
H         -3.035162822         1.098239220         1.700506763    
O          2.834634495        -2.040193497         1.408474075    
H          3.005155572        -1.118786199         1.665695808    
H          2.891491112        -2.070616380        0.4378092737    
O         0.2245787736E-01   -0.6708250909E-01   -0.6933471702E-01
H        -0.7354778785        0.4245453625       -0.4490054058    
H        -0.2182258105        -1.018819913       -0.9189153760E-01
O         0.7314405804        -3.058513588        -2.285218824    
H         0.2686284111        -2.409728878        -2.844618803    
H         0.2067846462        -3.082288193        -1.464750009    
O          3.187212273         2.284032252        0.1485576387    
H          2.409392260         2.865663677        0.2143541529    
H          2.960215168         1.652138880       -0.5644022017    
O         0.5744287119        0.6605028339         2.448533523    
H          1.543852132        0.6307271918         2.509854701    
H         0.3691839668        0.3810859777         1.530219763    
O         -3.061575972       -0.8063614617        -2.230268762    
H         -2.821503610        0.6554851260E-01    -1.871230550    
H         -2.276985754        -1.080754590        -2.738858273    
    63
Energy=    -106.838474230070    
O         0.5389856674         1.109192535        -3.503103927    
H         0.1032925402         1.865304634        -3.082918367    
H          1.274678425        0.8797050513        -2.897726391    
O        -0.5485430994         3.062052290         2.165904006    
H         -1.446833434         2.795771458         1.903950939    
H        -0.1131855040         2.221187267         2.428612978    
O        -0.3914438027         3.359538931        -2.073999528    
H        -0.3341824600         4.162976059        -2.591124992    
H         0.1355485080         3.507649673        -1.255242137    
O         0.9130271445         3.874522984        0.2072758626    
H         0.3326730196         3.545574615        0.9651542452    
H          1.130347414         4.781729211        0.4233610671    
O         -3.221858474       -0.4065921178         2.141835276    
H         -2.486406357       -0.7241104342         2.712123149    
H         -3.267377887        -1.023712181         1.393491541    
O         -2.008594645         1.397568121        -1.048884240    
H         -1.577324012         2.155478857        -1.469534262    
H         -2.410962887         1.715474610       -0.2151927790    
O         -1.061953764        -1.235739745         3.507955340    
H        -0.4765150015       -0.4797967366         3.319309317    
H        -0.5762508862        -2.005286400         3.178170035    
O         0.6236052737        -3.139993802         2.310094913    
H          1.458097193        -2.687304946         2.012922227    
H         0.8928219746        -3.988905129         2.659868690    
O        -0.6625365493        -2.645360019        0.2419183974E-02
H         -1.632405877        -2.606044098        0.8527118484E-01
H        -0.2975685442        -2.917644284        0.8656723152    
O          3.006138753        -2.163205584        -1.368684603    
H          2.150784835        -2.531577124        -1.731911050    
H          3.709092745        -2.683355191        -1.756721305    
O          2.201082188        0.4200407120        -1.512269517    
H          2.655047568       -0.4388115926        -1.540462647    
H          1.408345254        0.2603980907       -0.9463804748    
O        -0.7365307781        -1.173073498        -3.652548287    
H        -0.8543575799        -1.323149241        -4.590595285    
H        -0.2824725018       -0.2891722833        -3.573154864    
O         -3.317367972        -2.169171166       -0.1846271989E-01
H         -3.261418024        -1.653376105       -0.8729074485    
H         -4.072619064        -2.750311849       -0.1040737974    
O          3.273539287        0.6099653103         2.152256815    
H          3.983635638        0.8663764680         2.739558220    
H          3.284070446         1.259578148         1.392990673    
O         -2.974962244         2.043661870         1.361171315    
H         -3.819088343         2.445191480         1.565769687    
H         -3.035272436         1.098152710         1.700724742    
O          2.834729266        -2.040089162         1.408374946    
H          3.005021826        -1.118984045         1.665961586    
H          2.891116947        -2.070063934        0.4377649221    
O         0.2279235055E-01   -0.6701850268E-01   -0.6920066216E-01
H        -0.7358080427        0.4245465796       -0.4486983219    
H        -0.2181830564        -1.019865947       -0.9201148481E-01
O         0.7310367385        -3.058798912        -2.284675796    
H         0.2684273778        -2.409663005        -2.844817726    
H         0.2064705715        -3.081798969        -1.464576008    
O          3.186992107         2.283715348        0.1484112891    
H          2.410352406         2.865299411        0.2140898935    
H          2.960269958         1.651586341       -0.5648304951    
O         0.5743615131        0.6609477291         2.449008378    
H          1.543760891        0.6305004577         2.509736092    
H         0.3690670833        0.3810704882         1.529116512    
O         -3.061923719       -0.8065907427        -2.230390377    
H         -2.821609417        0.6546370232E-01    -1.870890151    
H         -2.277145445        -1.080896791        -2.738828215    
    63
Energy=    -106.838764787710    
O         0.5504215109         1.122929660        -3.505576235    
H         0.1121114984         1.875148893        -3.080619855    
H          1.283184675        0.8892256591        -2.898449336    
O        -0.5477729275         3.063967702         2.155655381    
H         -1.446194007         2.796946221         1.895011754    
H        -0.1102123780         2.223825583         2.416880242    
O        -0.4057154030         3.361114872        -2.069946189    
H        -0.3565566136         4.164011394        -2.588636431    
H         0.1338791670         3.510555815        -1.259700372    
O         0.9159278616         3.881523766        0.1995666576    
H         0.3333603683         3.550074532        0.9543287382    
H          1.126789396         4.789577035        0.4185374781    
O         -3.225138574       -0.4126251421         2.142744978    
H         -2.487670769       -0.7291944098         2.710898157    
H         -3.269490713        -1.027947664         1.392842353    
O         -2.013099719         1.393223366        -1.046190682    
H         -1.580244501         2.152898126        -1.462441221    
H         -2.415373195         1.708752265       -0.2119421810    
O         -1.060517362        -1.235858941         3.506630994    
H        -0.4783058374       -0.4777847872         3.316570087    
H        -0.5742763830        -2.004414964         3.175318719    
O         0.6230248182        -3.140650455         2.311679529    
H          1.457102444        -2.687031371         2.015100883    
H         0.8937598478        -3.990075510         2.658655958    
O        -0.6650054301        -2.643260323        0.2088473053E-02
H         -1.634837210        -2.601878840        0.8734312022E-01
H        -0.2969114610        -2.911675285        0.8651172584    
O          3.006843407        -2.165651507        -1.366439794    
H          2.150906884        -2.532236033        -1.730232922    
H          3.708945804        -2.694081502        -1.744731179    
O          2.202679308        0.4140498207        -1.514680789    
H          2.657510453       -0.4444300170        -1.541316337    
H          1.410507043        0.2541999641       -0.9482449384    
O        -0.7291580225        -1.162272383        -3.645100064    
H        -0.8545168615        -1.316979102        -4.581400513    
H        -0.2744267854       -0.2783149527        -3.574149029    
O         -3.317720366        -2.169332321       -0.1908373819E-01
H         -3.261371215        -1.653419115       -0.8734945902    
H         -4.071287816        -2.752684312       -0.1055020776    
O          3.274110186        0.6051373594         2.152297806    
H          3.988913302        0.8576072534         2.735738923    
H          3.285003572         1.253970824         1.392476588    
O         -2.980516658         2.042491737         1.364258465    
H         -3.824741798         2.443556389         1.569635673    
H         -3.039404679         1.097696548         1.704521650    
O          2.837567853        -2.045143353         1.407905807    
H          3.004905264        -1.123884313         1.666997733    
H          2.892677823        -2.072375534        0.4369632232    
O         0.2501773153E-01   -0.6601424488E-01   -0.7005946277E-01
H        -0.7383476630        0.4216668030       -0.4451101534    
H        -0.2125157026        -1.019747746       -0.9187515294E-01
O         0.7290039858        -3.060286838        -2.281162402    
H         0.2697915375        -2.407225508        -2.839338585    
H         0.2053420927        -3.080758784        -1.460259905    
O          3.188924786         2.276929741        0.1473869646    
H          2.416564303         2.864524978        0.2092253769    
H          2.961898626         1.646145982       -0.5666679361    
O         0.5744314584        0.6646048302         2.449045401    
H          1.543353497        0.6275869974         2.513812724    
H         0.3694294349        0.3834455371         1.529428531    
O         -3.063986619       -0.8064250008        -2.231904645    
H         -2.825814769        0.6545354082E-01    -1.870187123    
H         -2.276247395        -1.078425334        -2.736712306    
    63
Energy=    -106.838879366830    
O         0.5593609002         1.130825329        -3.509756065    
H         0.1203185656         1.881841448        -3.083144166    
H          1.290363149        0.8952792144        -2.901081248    
O        -0.5465867416         3.065920434         2.148366780    
H         -1.446788591         2.798313098         1.893128569    
H        -0.1101933637         2.227307044         2.414221294    
O        -0.4076806852         3.359278383        -2.070169640    
H        -0.3734729673         4.163650633        -2.587906032    
H         0.1330441362         3.515358472        -1.261779970    
O         0.9182791653         3.885659747        0.1950119724    
H         0.3344078395         3.551518186        0.9473062288    
H          1.125746861         4.793818775        0.4169654484    
O         -3.225785585       -0.4148250020         2.142855915    
H         -2.488331578       -0.7320738458         2.710565494    
H         -3.271472490        -1.030564620         1.393408542    
O         -2.017681980         1.390759649        -1.042387677    
H         -1.580325848         2.149010779        -1.456984841    
H         -2.419623350         1.706037571       -0.2077613002    
O         -1.060390626        -1.235150838         3.503521499    
H        -0.4790614775       -0.4765544197         3.314353809    
H        -0.5718664829        -2.003290998         3.173419797    
O         0.6231165627        -3.139674575         2.312641950    
H          1.456508484        -2.686314280         2.014058562    
H         0.8943616834        -3.990217860         2.657500561    
O        -0.6660052475        -2.643451293        0.3607679674E-02
H         -1.635576640        -2.600597490        0.9047092505E-01
H        -0.2985824678        -2.911837161        0.8671227833    
O          3.005908203        -2.167462913        -1.363933281    
H          2.150195006        -2.535531654        -1.727053629    
H          3.707758419        -2.699607855        -1.736858529    
O          2.203720649        0.4124513947        -1.515379381    
H          2.657528932       -0.4462539388        -1.544384467    
H          1.410621276        0.2515245512       -0.9502158055    
O        -0.7256004279        -1.154804475        -3.643355156    
H        -0.8544336567        -1.314779014        -4.578337573    
H        -0.2683100178       -0.2719714218        -3.577374222    
O         -3.318538192        -2.170261119       -0.1916025487E-01
H         -3.262747148        -1.656100249       -0.8746014255    
H         -4.070381412        -2.755634383       -0.1044747035    
O          3.276528725        0.5985499735         2.150428383    
H          3.991783462        0.8500108398         2.733651491    
H          3.284573212         1.250867290         1.393915124    
O         -2.984348583         2.041080837         1.367872987    
H         -3.828316484         2.442099646         1.574882990    
H         -3.043024169         1.096250234         1.708159930    
O          2.837271159        -2.046518487         1.409152145    
H          3.004704952        -1.124304515         1.666461223    
H          2.892246333        -2.074733714        0.4385429333    
O         0.2553672222E-01   -0.6567617885E-01   -0.6904231803E-01
H        -0.7381080632        0.4200969264       -0.4465569204    
H        -0.2097480453        -1.020309812       -0.9210708291E-01
O         0.7299591043        -3.057623116        -2.279541642    
H         0.2701676208        -2.402602647        -2.834714020    
H         0.2062693629        -3.082155475        -1.458617844    
O          3.192139962         2.274711541        0.1461388477    
H          2.421948707         2.864611580        0.2068802657    
H          2.963616617         1.643605069       -0.5670627939    
O         0.5724731196        0.6664892271         2.448044088    
H          1.540797293        0.6279449105         2.514996167    
H         0.3697552167        0.3841231029         1.527658881    
O         -3.064728385       -0.8075329226        -2.231153882    
H         -2.831139772        0.6605109688E-01    -1.870911008    
H         -2.275649819        -1.075873106        -2.735996909    
    63
Energy=    -106.839092064130    
O         0.5737061342         1.140238212        -3.518390692    
H         0.1345397781         1.892404792        -3.094152842    
H          1.301897282        0.9028848542        -2.907572647    
O        -0.5488914519         3.071045330         2.138592860    
H         -1.450420885         2.801245449         1.890206016    
H        -0.1123238677         2.233940043         2.409348377    
O        -0.4134733228         3.356466865        -2.073224059    
H        -0.4141385956         4.165834432        -2.584085609    
H         0.1335430741         3.522085854        -1.271267257    
O         0.9230892661         3.888769537        0.1855500859    
H         0.3390863032         3.553443663        0.9363641270    
H          1.131714222         4.795899574        0.4106526765    
O         -3.231760877       -0.4194034416         2.146361372    
H         -2.489658374       -0.7334921060         2.709982241    
H         -3.275555411        -1.032194422         1.394217238    
O         -2.021445965         1.389092860        -1.033366768    
H         -1.580112417         2.145078747        -1.447808300    
H         -2.422360851         1.706054427       -0.1995067101    
O         -1.058818618        -1.233979646         3.499416974    
H        -0.4801226617       -0.4734139344         3.308030272    
H        -0.5688735617        -2.000787826         3.170818702    
O         0.6234358266        -3.139772987         2.313691118    
H          1.456978833        -2.685914392         2.014243667    
H         0.8949373396        -3.990740871         2.657060266    
O        -0.6658234690        -2.647288677        0.9072426114E-02
H         -1.635529737        -2.602196270        0.9361138488E-01
H        -0.3010383142        -2.916513731        0.8732561929    
O          3.006448279        -2.175829406        -1.354440779    
H          2.150187571        -2.539877766        -1.719998419    
H          3.707038286        -2.711479019        -1.725573949    
O          2.208103019        0.4111049939        -1.518271732    
H          2.657920555       -0.4493081029        -1.546785321    
H          1.413740923        0.2528477628       -0.9553854041    
O        -0.7179209361        -1.140513621        -3.641588033    
H        -0.8449580547        -1.305211684        -4.575949419    
H        -0.2591616031       -0.2582342755        -3.580160041    
O         -3.320737149        -2.174990648       -0.1924856330E-01
H         -3.266676771        -1.662642504       -0.8753016519    
H         -4.069985923        -2.764042182       -0.1033356399    
O          3.272671415        0.5951092998         2.150643642    
H          3.998069752        0.8314102069         2.727655466    
H          3.288462452         1.245660818         1.392901336    
O         -2.990817838         2.038580385         1.378150455    
H         -3.834543158         2.437150511         1.589962203    
H         -3.048088687         1.092579543         1.715440305    
O          2.837710749        -2.049381385         1.413467708    
H          3.001892157        -1.125928455         1.666918012    
H          2.889134113        -2.080959964        0.4420038297    
O         0.2717068234E-01   -0.6945159026E-01   -0.7473243684E-01
H        -0.7373980229        0.4173947310       -0.4489757653    
H        -0.2126430443        -1.022857265       -0.9084107278E-01
O         0.7269893331        -3.051717181        -2.278327066    
H         0.2717471836        -2.387130359        -2.825381661    
H         0.2025757698        -3.081949040        -1.457969965    
O          3.197312143         2.272873795        0.1476113029    
H          2.428995590         2.865960896        0.2034748278    
H          2.968934483         1.641294374       -0.5657696660    
O         0.5710748641        0.6708799718         2.443863070    
H          1.539110109        0.6299421504         2.511277649    
H         0.3689443870        0.3873402693         1.523843934    
O         -3.065622877       -0.8102933578        -2.233844419    
H         -2.840908206        0.6299387588E-01    -1.868041727    
H         -2.270840123        -1.069354512        -2.734882641    
    63
Energy=    -106.839220104730    
O         0.5856694940         1.143042109        -3.525995269    
H         0.1424834143         1.894281650        -3.104608620    
H          1.310784715        0.9049373039        -2.911534023    
O        -0.5515399090         3.076203742         2.135454921    
H         -1.453206245         2.807718897         1.889586207    
H        -0.1145732044         2.237749589         2.402510755    
O        -0.4165652491         3.353257354        -2.080134383    
H        -0.4482762708         4.174612970        -2.570436479    
H         0.1318109318         3.516963863        -1.278819707    
O         0.9235071816         3.882530282        0.1793390167    
H         0.3373596255         3.554166459        0.9317664718    
H          1.146690328         4.786295665        0.4034725868    
O         -3.235704571       -0.4228365993         2.148468394    
H         -2.493377931       -0.7363722406         2.712011643    
H         -3.278767687        -1.035493836         1.396514146    
O         -2.020330274         1.390563955        -1.027492340    
H         -1.579450534         2.144988103        -1.446202957    
H         -2.419777874         1.708658252       -0.1933573643    
O         -1.057365400        -1.229296409         3.497744604    
H        -0.4787358561       -0.4705123554         3.300917165    
H        -0.5690162257        -1.998869663         3.171864232    
O         0.6234368764        -3.143848046         2.318125547    
H          1.458124901        -2.690775739         2.020743334    
H         0.8942330615        -3.994217047         2.663319671    
O        -0.6692414238        -2.652241735        0.1092164991E-01
H         -1.638862965        -2.611078938        0.9740116098E-01
H        -0.3011169308        -2.919809465        0.8743981171    
O          3.005570168        -2.177075673        -1.350217694    
H          2.147403845        -2.535182400        -1.717370024    
H          3.702812405        -2.716928204        -1.721129904    
O          2.210352027        0.4107660015        -1.517410552    
H          2.663568123       -0.4482770362        -1.541836346    
H          1.413722970        0.2509991436       -0.9577430525    
O        -0.7163119198        -1.130138113        -3.642796217    
H        -0.8291794365        -1.299670461        -4.578218797    
H        -0.2538310552       -0.2492274684        -3.580480153    
O         -3.322353949        -2.181140439       -0.1820924567E-01
H         -3.264972729        -1.668135752       -0.8736728918    
H         -4.070885838        -2.770520762       -0.1060885621    
O          3.271383845        0.5946972244         2.148744056    
H          4.002928930        0.8203885056         2.722001471    
H          3.288724380         1.248702932         1.393863717    
O         -2.992467802         2.038613497         1.386776126    
H         -3.834420763         2.437496487         1.605303475    
H         -3.049337572         1.091308393         1.719744741    
O          2.835552454        -2.051421238         1.418326979    
H          2.997214201        -1.127230849         1.671289218    
H          2.890189714        -2.083933066        0.4473587206    
O         0.2648691653E-01   -0.7391291855E-01   -0.8063580741E-01
H        -0.7401447273        0.4136446797       -0.4491502665    
H        -0.2120127657        -1.027629308       -0.9487838656E-01
O         0.7225705544        -3.042000235        -2.278155775    
H         0.2700342203        -2.375829677        -2.826567563    
H         0.1974369856        -3.072867443        -1.458815672    
O          3.200034107         2.273458148        0.1467194155    
H          2.428987040         2.862679626        0.2034128914    
H          2.975247215         1.642517626       -0.5677293754    
O         0.5675802932        0.6757902449         2.433313513    
H          1.535368278        0.6358283269         2.504146922    
H         0.3676802127        0.3893351163         1.513871158    
O         -3.061569007       -0.8099656196        -2.229644151    
H         -2.835500864        0.6189799228E-01    -1.861010241    
H         -2.269541331        -1.066897803        -2.735580724    
    63
Energy=    -106.839226702590    
O         0.5867760356         1.143921248        -3.525668322    
H         0.1435590267         1.895361110        -3.104563972    
H          1.311828964        0.9059379997        -2.911093631    
O        -0.5514792510         3.076733655         2.134218410    
H         -1.453606414         2.808697629         1.889394252    
H        -0.1142057253         2.238233662         2.401603241    
O        -0.4173644342         3.353047490        -2.080524759    
H        -0.4526221079         4.176011533        -2.568352176    
H         0.1314614681         3.516311707        -1.279282835    
O         0.9229367717         3.881722192        0.1778676932    
H         0.3368039203         3.553872767        0.9305440382    
H          1.148401890         4.784815105        0.4022924718    
O         -3.236173548       -0.4234034623         2.148200957    
H         -2.493585849       -0.7364995469         2.712069292    
H         -3.279210168        -1.036201453         1.396923642    
O         -2.020647341         1.390648963        -1.026909759    
H         -1.579554166         2.144768176        -1.445877198    
H         -2.420096347         1.709019626       -0.1928551831    
O         -1.057174483        -1.228983930         3.497935384    
H        -0.4789568841       -0.4701053941         3.299815244    
H        -0.5686944959        -1.998634856         3.171933090    
O         0.6227697077        -3.144608222         2.318794083    
H          1.457384020        -2.691655195         2.021163075    
H         0.8936377383        -3.994795696         2.664288369    
O        -0.6691604694        -2.652341718        0.1167729315E-01
H         -1.639040652        -2.611261700        0.9786608221E-01
H        -0.3010568135        -2.920258987        0.8747925729    
O          3.005436296        -2.177335797        -1.349609796    
H          2.146940994        -2.534327170        -1.717105582    
H          3.702265501        -2.717650784        -1.720759350    
O          2.210947535        0.4105764237        -1.516902090    
H          2.664444040       -0.4483264190        -1.541908404    
H          1.413774673        0.2506375747       -0.9579684584    
O        -0.7153973000        -1.129352888        -3.643019847    
H        -0.8278075247        -1.299204311        -4.578385165    
H        -0.2533534471       -0.2483166716        -3.580594385    
O         -3.322462761        -2.181956110       -0.1804904163E-01
H         -3.264439123        -1.668180280       -0.8729819865    
H         -4.071177623        -2.771005293       -0.1069570343    
O          3.271050334        0.5949414977         2.148942103    
H          4.003554205        0.8197997512         2.721355550    
H          3.288900652         1.247907006         1.393203236    
O         -2.992748122         2.038244190         1.386819495    
H         -3.833978451         2.438008177         1.606508340    
H         -3.049333800         1.091079291         1.720302415    
O          2.836227878        -2.051790341         1.419014586    
H          2.997093262        -1.127286200         1.671425236    
H          2.890339702        -2.084237931        0.4480111639    
O         0.2653412908E-01   -0.7465537622E-01   -0.8106224079E-01
H        -0.7399918650        0.4132781101       -0.4494988065    
H        -0.2123306878        -1.028353829       -0.9538214280E-01
O         0.7222425703        -3.040705243        -2.278392399    
H         0.2695349677        -2.374836188        -2.826984802    
H         0.1975173651        -3.072131589        -1.458661176    
O          3.200142264         2.273692238        0.1464439818    
H          2.428344706         2.862097778        0.2028351877    
H          2.975708874         1.642109589       -0.5676292176    
O         0.5673831945        0.6762610139         2.432372854    
H          1.535285121        0.6362880585         2.503566502    
H         0.3675726668        0.3893845860         1.512762366    
O         -3.060701146       -0.8095979849        -2.228621812    
H         -2.834350198        0.6218880222E-01    -1.860195563    
H         -2.269588170        -1.066838784        -2.735635588    
    63
Energy=    -106.839265204420    
O         0.5911925585         1.146716068        -3.526840532    
H         0.1488553026         1.898729586        -3.105994984    
H          1.315536140        0.9086284357        -2.911698430    
O        -0.5517414101         3.078820414         2.132526304    
H         -1.454129259         2.810173421         1.888176336    
H        -0.1141851591         2.240262195         2.398293828    
O        -0.4206241374         3.351701248        -2.080269990    
H        -0.4657905876         4.177427647        -2.562061544    
H         0.1315763505         3.514028176        -1.281220200    
O         0.9237267037         3.879959095        0.1745320705    
H         0.3357585612         3.553922995        0.9266006667    
H          1.152036499         4.782365173        0.3992854995    
O         -3.236587928       -0.4244756636         2.148418101    
H         -2.493955287       -0.7371110579         2.712168490    
H         -3.280686963        -1.038152554         1.397649551    
O         -2.021294310         1.390467245        -1.025122320    
H         -1.578858174         2.143980839        -1.444064478    
H         -2.421159034         1.709354585       -0.1917004728    
O         -1.056904672        -1.227905761         3.496473796    
H        -0.4792952156       -0.4686144652         3.297296249    
H        -0.5676763841        -1.997730993         3.172531982    
O         0.6219619109        -3.146150609         2.319917253    
H          1.456397732        -2.693277025         2.022148089    
H         0.8920917032        -3.996022163         2.667019923    
O        -0.6691186186        -2.653895729        0.1330795809E-01
H         -1.638839830        -2.611626421        0.9915647699E-01
H        -0.3012005828        -2.921798195        0.8766385996    
O          3.004876686        -2.177117045        -1.348793376    
H          2.145484386        -2.532794015        -1.715705663    
H          3.700704895        -2.719752848        -1.718396273    
O          2.212685612        0.4105574580        -1.517121330    
H          2.665484379       -0.4486921142        -1.541966397    
H          1.414936028        0.2502419753       -0.9591808459    
O        -0.7137354089        -1.125821413        -3.643909298    
H        -0.8248180737        -1.297444042        -4.579090083    
H        -0.2503363272       -0.2456870188        -3.581985773    
O         -3.323054280        -2.184186955       -0.1779966643E-01
H         -3.263711784        -1.668250956       -0.8713543582    
H         -4.071928354        -2.772724474       -0.1088305447    
O          3.271350037        0.5940279256         2.148033146    
H          4.005141889        0.8177462406         2.719301975    
H          3.288539722         1.246930883         1.392251765    
O         -2.992949177         2.038206921         1.389829571    
H         -3.833669889         2.438429382         1.610622720    
H         -3.050636167         1.090305356         1.720997238    
O          2.836118132        -2.052625824         1.420943316    
H          2.996437200        -1.127739217         1.672632807    
H          2.889902711        -2.085571836        0.4498804523    
O         0.2648997815E-01   -0.7672770086E-01   -0.8265233080E-01
H        -0.7399744725        0.4116139549       -0.4507092856    
H        -0.2137224955        -1.030024603       -0.9584309987E-01
O         0.7223367066        -3.036828536        -2.278307351    
H         0.2681252844        -2.370927464        -2.826391276    
H         0.1970134437        -3.070540133        -1.458994033    
O          3.200188274         2.273171209        0.1461101272    
H          2.427983318         2.861024035        0.2013476873    
H          2.976457919         1.640734976       -0.5675543843    
O         0.5664577228        0.6772917854         2.429616250    
H          1.534149240        0.6376391032         2.502203055    
H         0.3671174708        0.3899624703         1.510156810    
O         -3.058932148       -0.8099163178        -2.226349367    
H         -2.832637479        0.6208786065E-01    -1.857650326    
H         -2.268449785        -1.065617908        -2.735000599    
    63
Energy=    -106.839316901520    
O         0.5928494357         1.152010047        -3.531581174    
H         0.1510508616         1.903839728        -3.110122510    
H          1.315803796        0.9112939071        -2.915778665    
O        -0.5485299659         3.077370996         2.134280991    
H         -1.451047807         2.809344655         1.889605410    
H        -0.1108617136         2.238424830         2.398904409    
O        -0.4257948518         3.350368183        -2.075087655    
H        -0.4989169570         4.183202279        -2.541096717    
H         0.1294435118         3.513220899        -1.278079864    
O         0.9241488653         3.877854373        0.1752103411    
H         0.3376853436         3.551884065        0.9286833130    
H          1.151817645         4.780740812        0.3985608032    
O         -3.233895869       -0.4197588718         2.145931594    
H         -2.491194653       -0.7317428227         2.710097361    
H         -3.277825880        -1.034698672         1.395992874    
O         -2.019779348         1.386068561        -1.024678454    
H         -1.574372015         2.138295048        -1.443771831    
H         -2.419577754         1.707220711       -0.1921119234    
O         -1.056804065        -1.222627056         3.497128814    
H        -0.4771794342       -0.4653187326         3.296109500    
H        -0.5698724616        -1.994325205         3.173953744    
O         0.6161212620        -3.147596495         2.326726677    
H          1.450971371        -2.696045536         2.028010070    
H         0.8864787937        -3.993774872         2.682499043    
O        -0.6685330413        -2.658471637        0.1472798579E-01
H         -1.638203965        -2.615088143        0.1000993742    
H        -0.3020158678        -2.927245782        0.8783617250    
O          3.004526687        -2.176497029        -1.346575507    
H          2.145621459        -2.531664353        -1.714800165    
H          3.701274979        -2.714312685        -1.721438430    
O          2.210600138        0.4084843083        -1.521620685    
H          2.664307545       -0.4505294280        -1.544494837    
H          1.413341611        0.2485484041       -0.9631044289    
O        -0.7103132745        -1.122049933        -3.652005030    
H        -0.8279939997        -1.290397711        -4.587041616    
H        -0.2472403356       -0.2416603474        -3.590338257    
O         -3.321452563        -2.183726432       -0.1640382174E-01
H         -3.259495292        -1.670374490       -0.8713176244    
H         -4.071309780        -2.770979000       -0.1075578215    
O          3.272795805        0.5937416986         2.147139608    
H          3.995879541        0.8309887590         2.726567749    
H          3.289661199         1.244339335         1.389185893    
O         -2.990137443         2.042442479         1.387980717    
H         -3.829766727         2.443758321         1.610899271    
H         -3.048112927         1.094408110         1.719016845    
O          2.829580410        -2.055821525         1.424510304    
H          2.994426802        -1.132140018         1.676635106    
H          2.884263910        -2.088416699        0.4536104093    
O         0.2731924394E-01   -0.8081374446E-01   -0.8341205429E-01
H        -0.7400813153        0.4065709284       -0.4509024382    
H        -0.2122246842        -1.034303208       -0.9427711839E-01
O         0.7216549176        -3.033676224        -2.280039469    
H         0.2694880372        -2.367135627        -2.828481549    
H         0.1957966106        -3.068261059        -1.461299342    
O          3.199555795         2.268461443        0.1423133746    
H          2.427979277         2.857186448        0.1981214669    
H          2.974560009         1.636196258       -0.5711813405    
O         0.5700581657        0.6762882420         2.426777889    
H          1.538120042        0.6356758804         2.497437023    
H         0.3691522962        0.3882663615         1.507754221    
O         -3.050770813       -0.8150159828        -2.227025443    
H         -2.826688910        0.5723105149E-01    -1.857784632    
H         -2.259830552        -1.068500201        -2.735914024    
    63
Energy=    -106.839318436290    
O         0.5927474352         1.153312145        -3.532261961    
H         0.1513532884         1.905493217        -3.111199124    
H          1.315504239        0.9122995367        -2.916345444    
O        -0.5474469123         3.077204799         2.134492162    
H         -1.450077686         2.809609355         1.889874729    
H        -0.1100893861         2.237991623         2.399058456    
O        -0.4271133321         3.350591261        -2.074408823    
H        -0.5035504245         4.184355391        -2.538115184    
H         0.1289271296         3.513302116        -1.277873681    
O         0.9244831538         3.878103147        0.1750734324    
H         0.3385207941         3.552086742        0.9289675143    
H          1.153262345         4.780614848        0.3987129824    
O         -3.233792218       -0.4190232689         2.145581281    
H         -2.491532300       -0.7312044781         2.710204913    
H         -3.277629595        -1.033936137         1.395635639    
O         -2.019890047         1.385093442        -1.024672209    
H         -1.574198978         2.137187560        -1.443917566    
H         -2.419439310         1.706589063       -0.1922616429    
O         -1.057210119        -1.222091959         3.498052126    
H        -0.4772715671       -0.4650264617         3.297050395    
H        -0.5705875185        -1.994038545         3.175052065    
O         0.6156449981        -3.147138364         2.327605088    
H          1.450485055        -2.696121617         2.028452599    
H         0.8854246437        -3.993133169         2.684172200    
O        -0.6680919791        -2.659863572        0.1413786666E-01
H         -1.637762999        -2.615766261        0.9936038846E-01
H        -0.3018635789        -2.927701302        0.8782186800    
O          3.004396859        -2.176832455        -1.346198470    
H          2.145641334        -2.531818990        -1.715057416    
H          3.701119092        -2.715033409        -1.720434930    
O          2.209926573        0.4084004807        -1.522097184    
H          2.664162028       -0.4502921757        -1.545137360    
H          1.412682795        0.2481255052       -0.9636059625    
O        -0.7096095069        -1.121482103        -3.652571151    
H        -0.8258299550        -1.290516403        -4.587573655    
H        -0.2473643436       -0.2406265507        -3.590873992    
O         -3.320830736        -2.183796774       -0.1640805896E-01
H         -3.259319431        -1.670378921       -0.8712593981    
H         -4.071179691        -2.770539907       -0.1068288606    
O          3.273385458        0.5937801486         2.147391926    
H          3.996298928        0.8320012269         2.726551332    
H          3.289463856         1.244181397         1.389238135    
O         -2.989862386         2.043163160         1.387972572    
H         -3.829617783         2.444482867         1.610406943    
H         -3.048018950         1.095212768         1.719180263    
O          2.829431066        -2.056061770         1.424695078    
H          2.995215668        -1.132586248         1.677150354    
H          2.884294362        -2.088593192        0.4537317572    
O         0.2716821414E-01   -0.8160027018E-01   -0.8333152702E-01
H        -0.7403015364        0.4057291233       -0.4508601884    
H        -0.2119298904        -1.035192512       -0.9436854585E-01
O         0.7220595209        -3.033717443        -2.280564118    
H         0.2697192478        -2.366830951        -2.828371566    
H         0.1961111975        -3.069484255        -1.461944471    
O          3.199083363         2.267975294        0.1421004687    
H          2.427716600         2.857031171        0.1975609834    
H          2.974220452         1.635744346       -0.5714962502    
O         0.5702805176        0.6762981746         2.426585847    
H          1.538326842        0.6351542473         2.497173937    
H         0.3690579669        0.3879573205         1.507769646    
O         -3.051012398       -0.8155888664        -2.228084000    
H         -2.827180183        0.5668114436E-01    -1.858764757    
H         -2.259999182        -1.068976689        -2.736814781    
    63
Energy=    -106.839319006930    
O         0.5917918230         1.153213896        -3.532562619    
H         0.1505181141         1.905632621        -3.111423042    
H          1.314400315        0.9123077176        -2.916572181    
O        -0.5468403283         3.077054261         2.135804412    
H         -1.449223354         2.809434423         1.890314846    
H        -0.1095030682         2.237819161         2.400002020    
O        -0.4270416018         3.350629184        -2.073879829    
H        -0.5034092431         4.184700007        -2.537314681    
H         0.1285620288         3.512884861        -1.277138395    
O         0.9246260663         3.878311588        0.1760985765    
H         0.3391593449         3.552236608        0.9303089553    
H          1.153841843         4.780652586        0.3999595051    
O         -3.233587637       -0.4183666183         2.145398524    
H         -2.491514061       -0.7305359156         2.710197663    
H         -3.277002063        -1.033208419         1.395366913    
O         -2.019803298         1.384780382        -1.025520835    
H         -1.573795071         2.136799332        -1.444399699    
H         -2.419196288         1.706294603       -0.1929227321    
O         -1.057727384        -1.221873149         3.498970025    
H        -0.4774477631       -0.4650038411         3.298283267    
H        -0.5712092478        -1.993807780         3.175761298    
O         0.6152140735        -3.146472702         2.327542623    
H          1.450297383        -2.695615714         2.028420400    
H         0.8851520964        -3.992186323         2.684697286    
O        -0.6677248675        -2.660613926        0.1361282563E-01
H         -1.637340871        -2.616347100        0.9875168560E-01
H        -0.3017130961        -2.927903621        0.8778751605    
O          3.004284043        -2.176379860        -1.346467749    
H          2.145886263        -2.531886971        -1.715424651    
H          3.701442886        -2.714515373        -1.719896678    
O          2.209126242        0.4087537373        -1.522281960    
H          2.663738644       -0.4496558594        -1.545204825    
H          1.412099854        0.2480143446       -0.9636060101    
O        -0.7097878602        -1.122144624        -3.652892316    
H        -0.8245886909        -1.292177624        -4.587944659    
H        -0.2479424547       -0.2411669687        -3.591278736    
O         -3.320264983        -2.183182284       -0.1640253600E-01
H         -3.259139537        -1.670347177       -0.8715936071    
H         -4.070899609        -2.769635805       -0.1060027531    
O          3.273560848        0.5940170882         2.147648235    
H          3.996380384        0.8330882983         2.726543285    
H          3.289254330         1.243960064         1.389085731    
O         -2.989120284         2.043846839         1.387432298    
H         -3.829119176         2.445136677         1.609073728    
H         -3.047369865         1.096064747         1.719029392    
O          2.829547476        -2.055604354         1.424514508    
H          2.996116672        -1.132341468         1.677081769    
H          2.884078064        -2.087740125        0.4535561732    
O         0.2688912995E-01   -0.8210589733E-01   -0.8314874335E-01
H        -0.7406907004        0.4050435477       -0.4506730601    
H        -0.2119260670        -1.035740568       -0.9478696442E-01
O         0.7222505216        -3.034378760        -2.281570487    
H         0.2693890213        -2.367291481        -2.828832605    
H         0.1967258603        -3.070681193        -1.462748018    
O          3.198679152         2.267944420        0.1419896356    
H          2.427205560         2.856872788        0.1976729945    
H          2.973583690         1.635879293       -0.5716215863    
O         0.5702785790        0.6753580555         2.427040374    
H          1.538326694        0.6347980062         2.497573960    
H         0.3691369533        0.3869854201         1.508205631    
O         -3.051631890       -0.8159538193        -2.228724458    
H         -2.827715250        0.5638041276E-01    -1.859702810    
H         -2.260757242        -1.069272045        -2.737764989    
    63
Energy=    -106.839320398170    
O         0.5913271772         1.153960833        -3.532749889    
H         0.1496607188         1.905923102        -3.111475720    
H          1.314015028        0.9130529172        -2.916732658    
O        -0.5458810439         3.076956856         2.136212922    
H         -1.448340397         2.809730040         1.890467049    
H        -0.1088493743         2.237385989         2.400044946    
O        -0.4280604017         3.350805016        -2.072580832    
H        -0.5083335618         4.185428637        -2.534171391    
H         0.1282005093         3.513534593        -1.276278285    
O         0.9250266268         3.878422808        0.1763501569    
H         0.3394271954         3.552551554        0.9306041757    
H          1.155290796         4.780467536        0.4003685899    
O         -3.233184369       -0.4174861988         2.145314019    
H         -2.491564780       -0.7297277012         2.710762357    
H         -3.276010120        -1.032335696         1.395229170    
O         -2.020087805         1.383757982        -1.025764727    
H         -1.573667861         2.135612222        -1.444598413    
H         -2.419176711         1.705609449       -0.1931316317    
O         -1.058491120        -1.221245595         3.499876219    
H        -0.4784344364       -0.4642302140         3.299135109    
H        -0.5720728436        -1.992971535         3.175962906    
O         0.6151260083        -3.144879341         2.327975005    
H          1.450095566        -2.693928183         2.028711196    
H         0.8851520543        -3.990456236         2.685435751    
O        -0.6674078009        -2.662374978        0.1302656467E-01
H         -1.636984154        -2.617127692        0.9847616448E-01
H        -0.3012926295        -2.928828072        0.8775556027    
O          3.003927262        -2.175994820        -1.345971674    
H          2.145981318        -2.531735181        -1.715866464    
H          3.701607850        -2.714789895        -1.717664393    
O          2.208214009        0.4085807886        -1.522801041    
H          2.663016567       -0.4497685456        -1.545882462    
H          1.411272946        0.2476173705       -0.9640348310    
O        -0.7090969563        -1.121864104        -3.652794373    
H        -0.8217248832        -1.293301933        -4.587887290    
H        -0.2477871259       -0.2405426529        -3.591396176    
O         -3.319393843        -2.182388399       -0.1666547495E-01
H         -3.258463327        -1.670207024       -0.8723076251    
H         -4.070396748        -2.768567106       -0.1053706753    
O          3.273477748        0.5937657143         2.147273723    
H          3.996911128        0.8324798948         2.725667764    
H          3.289049653         1.243558378         1.388539917    
O         -2.987739260         2.044316455         1.386896719    
H         -3.827597703         2.446047722         1.608220460    
H         -3.046458677         1.096554941         1.718601497    
O          2.829390462        -2.055272536         1.424895365    
H          2.995737010        -1.131981594         1.677601988    
H          2.883177997        -2.087336855        0.4538800234    
O         0.2651019229E-01   -0.8358365525E-01   -0.8337281424E-01
H        -0.7410650995        0.4035170747       -0.4509294787    
H        -0.2119842738        -1.037298441       -0.9544784360E-01
O         0.7227285143        -3.034285665        -2.282489060    
H         0.2698064112        -2.366723459        -2.829165160    
H         0.1969754521        -3.071550894        -1.463873941    
O          3.198247861         2.267150604        0.1416157717    
H          2.426972043         2.856281915        0.1978759507    
H          2.972752873         1.635297671       -0.5720894132    
O         0.5703687847        0.6746692567         2.427026903    
H          1.538408269        0.6338795627         2.497739815    
H         0.3692417544        0.3857183972         1.508405000    
O         -3.051887393       -0.8161109855        -2.229687283    
H         -2.828160472        0.5611584434E-01    -1.860228717    
H         -2.260991511        -1.069098335        -2.738829583    
    63
Energy=    -106.839321089310    
O         0.5904746383         1.154053930        -3.532204754    
H         0.1491658276         1.906286529        -3.111079451    
H          1.313290113        0.9131345039        -2.916344937    
O        -0.5455240176         3.076963334         2.136313764    
H         -1.447964006         2.809780873         1.890398776    
H        -0.1085820400         2.237262638         2.399913424    
O        -0.4283535528         3.350922189        -2.071935017    
H        -0.5100487908         4.185873160        -2.532690557    
H         0.1281413503         3.513706602        -1.275793168    
O         0.9252304861         3.878544084        0.1764837006    
H         0.3398423104         3.552459878        0.9308497630    
H          1.155104217         4.780684630        0.4004925959    
O         -3.233167349       -0.4173448601         2.145197674    
H         -2.491671462       -0.7295844903         2.710807110    
H         -3.275776494        -1.032088665         1.395006812    
O         -2.019602445         1.383395346        -1.025709276    
H         -1.572911490         2.135263223        -1.444240311    
H         -2.418721438         1.705141980       -0.1930572248    
O         -1.058765676        -1.220925819         3.500335378    
H        -0.4787406841       -0.4639890683         3.299202745    
H        -0.5725060046        -1.992688212         3.176233242    
O         0.6147007322        -3.144041047         2.327881449    
H          1.449540727        -2.692934877         2.028517253    
H         0.8851411720        -3.989281201         2.685793453    
O        -0.6674378339        -2.663357085        0.1259258337E-01
H         -1.637009054        -2.617717538        0.9795415102E-01
H        -0.3014446599        -2.929297287        0.8773387885    
O          3.004372136        -2.175950769        -1.345650481    
H          2.146417548        -2.531725534        -1.715489640    
H          3.701989433        -2.715113306        -1.716912717    
O          2.207841039        0.4083651411        -1.522575379    
H          2.662977116       -0.4497969036        -1.545796073    
H          1.410953767        0.2470315043       -0.9638444141    
O        -0.7090442294        -1.122324144        -3.652783297    
H        -0.8221198630        -1.293139848        -4.587933291    
H        -0.2480322549       -0.2408747363        -3.591047895    
O         -3.318961887        -2.181643163       -0.1694221414E-01
H         -3.257957521        -1.669560479       -0.8726629852    
H         -4.070245604        -2.767469522       -0.1055426535    
O          3.273189074        0.5939857828         2.147074988    
H          3.998026325        0.8309536109         2.724417864    
H          3.288911776         1.243973514         1.388515456    
O         -2.987238332         2.044304474         1.386971152    
H         -3.826886985         2.446299353         1.608635740    
H         -3.046114570         1.096553436         1.718745062    
O          2.828879312        -2.054524360         1.424780493    
H          2.995032347        -1.131097143         1.677209340    
H          2.883080969        -2.086832063        0.4537805740    
O         0.2624962524E-01   -0.8461905922E-01   -0.8347414640E-01
H        -0.7412816007        0.4025505996       -0.4510776189    
H        -0.2122068025        -1.038358394       -0.9573540434E-01
O         0.7234653945        -3.034538398        -2.282414516    
H         0.2705224605        -2.367070802        -2.829160555    
H         0.1974810772        -3.072084214        -1.463955943    
O          3.198371940         2.267110055        0.1412882885    
H          2.427299052         2.856501888        0.1975401682    
H          2.972436246         1.635079758       -0.5721525517    
O         0.5699276110        0.6745437749         2.426528906    
H          1.537944498        0.6339680515         2.497296166    
H         0.3687669016        0.3852520557         1.508016204    
O         -3.051596646       -0.8160560894        -2.230258810    
H         -2.827738837        0.5623214989E-01    -1.861028192    
H         -2.260603988        -1.069391370        -2.739110109    
    63
Energy=    -106.839321144190    
O         0.5904427361         1.154074808        -3.532111478    
H         0.1491276407         1.906303983        -3.110985820    
H          1.313250095        0.9131617296        -2.916250951    
O        -0.5455295722         3.076980638         2.136251890    
H         -1.447987202         2.809822558         1.890400381    
H        -0.1085939544         2.237270964         2.399843723    
O        -0.4283804440         3.350975156        -2.071930879    
H        -0.5102682971         4.185989595        -2.532538642    
H         0.1281491444         3.513729869        -1.275812074    
O         0.9253090048         3.878593839        0.1765047225    
H         0.3398553105         3.552551674        0.9308362456    
H          1.155112405         4.780769672        0.4004456587    
O         -3.233233042       -0.4173737084         2.145227303    
H         -2.491737670       -0.7295913801         2.710858367    
H         -3.275767100        -1.032056377         1.394980792    
O         -2.019607965         1.383378120        -1.025696306    
H         -1.572901176         2.135273092        -1.444170300    
H         -2.418728658         1.705079886       -0.1930271477    
O         -1.058769455        -1.220917764         3.500420940    
H        -0.4788027826       -0.4639558934         3.299228016    
H        -0.5725338746        -1.992653508         3.176232817    
O         0.6146296698        -3.144032830         2.327891763    
H          1.449478799        -2.692908628         2.028541666    
H         0.8850985942        -3.989261605         2.685906177    
O        -0.6674960919        -2.663507421        0.1255569202E-01
H         -1.637055738        -2.617788999        0.9791077217E-01
H        -0.3015496415        -2.929396656        0.8773336254    
O          3.004485723        -2.176000421        -1.345704793    
H          2.146546293        -2.531827680        -1.715530347    
H          3.702137209        -2.715189354        -1.716880387    
O          2.207879749        0.4083587266        -1.522555911    
H          2.663054151       -0.4497902273        -1.545764628    
H          1.410965007        0.2469375527       -0.9638822571    
O        -0.7089504885        -1.122369469        -3.652770909    
H        -0.8222443256        -1.293087374        -4.587907448    
H        -0.2480191094       -0.2408972358        -3.591053416    
O         -3.319024695        -2.181613023       -0.1699662824E-01
H         -3.257968310        -1.669528244       -0.8727182771    
H         -4.070327863        -2.767397377       -0.1056002001    
O          3.273212441        0.5940359648         2.147023662    
H          3.998179643        0.8308835262         2.724238636    
H          3.288929243         1.244018030         1.388448924    
O         -2.987236980         2.044309985         1.387038987    
H         -3.826874002         2.446308219         1.608737760    
H         -3.046129879         1.096549121         1.718765510    
O          2.828783699        -2.054459977         1.424775885    
H          2.994944101        -1.131029764         1.677195578    
H          2.883090158        -2.086813925        0.4537873442    
O         0.2624140098E-01   -0.8473460196E-01   -0.8346285083E-01
H        -0.7412737964        0.4024545072       -0.4510374644    
H        -0.2122107437        -1.038484622       -0.9577033152E-01
O         0.7235579476        -3.034594581        -2.282434662    
H         0.2705825276        -2.367162167        -2.829195062    
H         0.1975837485        -3.072176123        -1.463977763    
O          3.198397059         2.267144042        0.1412702686    
H          2.427355396         2.856588876        0.1974794368    
H          2.972487511         1.635138114       -0.5722004190    
O         0.5699201975        0.6745654310         2.426519245    
H          1.537922948        0.6339855236         2.497316231    
H         0.3687948010        0.3852120607         1.507995480    
O         -3.051549245       -0.8160148194        -2.230300369    
H         -2.827686536        0.5627034877E-01    -1.861038548    
H         -2.260554616        -1.069342258        -2.739147748    
    63
Energy=    -106.839321179180    
O         0.5903961072         1.154062421        -3.532060469    
H         0.1490958175         1.906289472        -3.110918307    
H          1.313207772        0.9131383002        -2.916206698    
O        -0.5455266653         3.076981339         2.136260447    
H         -1.447994118         2.809828973         1.890410892    
H        -0.1085956893         2.237267316         2.399837537    
O        -0.4283795353         3.351010107        -2.071912389    
H        -0.5102416373         4.186023784        -2.532529467    
H         0.1281548755         3.513759234        -1.275801254    
O         0.9253188259         3.878623696        0.1765231921    
H         0.3398688460         3.552574313        0.9308539976    
H          1.155095668         4.780806207        0.4004655522    
O         -3.233240521       -0.4173689961         2.145233019    
H         -2.491760230       -0.7295962990         2.710870471    
H         -3.275760531        -1.032039604         1.394972486    
O         -2.019601698         1.383378811        -1.025695083    
H         -1.572897061         2.135277102        -1.444157860    
H         -2.418721715         1.705062437       -0.1930178999    
O         -1.058784072        -1.220922343         3.500455655    
H        -0.4788268307       -0.4639536237         3.299253991    
H        -0.5725459941        -1.992649359         3.176235342    
O         0.6146203987        -3.144028656         2.327897420    
H          1.449452805        -2.692886044         2.028531602    
H         0.8850817606        -3.989216442         2.685915242    
O        -0.6675099150        -2.663554464        0.1252927869E-01
H         -1.637078055        -2.617820760        0.9786905679E-01
H        -0.3015736381        -2.929428596        0.8773174491    
O          3.004536509        -2.176004983        -1.345725013    
H          2.146609964        -2.531843693        -1.715554560    
H          3.702189470        -2.715196842        -1.716886227    
O          2.207888992        0.4083456653        -1.522534083    
H          2.663074082       -0.4497930994        -1.545753445    
H          1.410972049        0.2469299080       -0.9638719153    
O        -0.7089527271        -1.122433456        -3.652763263    
H        -0.8223034597        -1.293095070        -4.587905117    
H        -0.2480291680       -0.2409481497        -3.591059523    
O         -3.319039253        -2.181573413       -0.1701610261E-01
H         -3.257980910        -1.669500895       -0.8727373841    
H         -4.070360307        -2.767353586       -0.1056201950    
O          3.273222307        0.5940582868         2.146996886    
H          3.998243192        0.8308687467         2.724172271    
H          3.288920241         1.244048178         1.388434605    
O         -2.987235755         2.044303444         1.387029554    
H         -3.826859305         2.446310509         1.608752877    
H         -3.046131119         1.096545304         1.718767663    
O          2.828747171        -2.054425788         1.424755968    
H          2.994914995        -1.130993883         1.677178187    
H          2.883085296        -2.086780617        0.4537736823    
O         0.2624217341E-01   -0.8477468054E-01   -0.8344632219E-01
H        -0.7412705066        0.4024127147       -0.4510367056    
H        -0.2122196222        -1.038511382       -0.9576015227E-01
O         0.7236062487        -3.034646427        -2.282444142    
H         0.2706162163        -2.367227411        -2.829208240    
H         0.1976324789        -3.072236684        -1.463984126    
O          3.198410964         2.267167395        0.1412551872    
H          2.427381185         2.856623245        0.1974595560    
H          2.972485809         1.635158515       -0.5722046783    
O         0.5699096125        0.6745561872         2.426514583    
H          1.537917915        0.6339897195         2.497320307    
H         0.3687989585        0.3851903063         1.508012896    
O         -3.051550188       -0.8159819480        -2.230322895    
H         -2.827666162        0.5629426464E-01    -1.861063132    
H         -2.260551216        -1.069341104        -2.739150721    
    63
Energy=    -106.839321195950    
O         0.5903686132         1.154049062        -3.532031702    
H         0.1490795762         1.906272932        -3.110871248    
H          1.313182057        0.9131123636        -2.916185308    
O        -0.5455277399         3.076985214         2.136280582    
H         -1.447994832         2.809837376         1.890421980    
H        -0.1085966066         2.237262841         2.399831544    
O        -0.4283873159         3.351036184        -2.071899886    
H        -0.5102616287         4.186057656        -2.532503471    
H         0.1281522266         3.513783375        -1.275791453    
O         0.9253187434         3.878651111        0.1765346078    
H         0.3398866567         3.552590407        0.9308722805    
H          1.155102504         4.780828955        0.4004936450    
O         -3.233239083       -0.4173575922         2.145236951    
H         -2.491776908       -0.7296027230         2.710882723    
H         -3.275752690        -1.032017058         1.394972886    
O         -2.019592656         1.383377581        -1.025681879    
H         -1.572895544         2.135272173        -1.444153381    
H         -2.418712312         1.705052479       -0.1930043482    
O         -1.058803487        -1.220915831         3.500464215    
H        -0.4788404802       -0.4639468076         3.299285200    
H        -0.5725625392        -1.992639550         3.176240610    
O         0.6146062826        -3.144014176         2.327909494    
H          1.449421284        -2.692872999         2.028527002    
H         0.8850664875        -3.989190961         2.685943073    
O        -0.6675238894        -2.663593291        0.1251467762E-01
H         -1.637091096        -2.617867136        0.9783115091E-01
H        -0.3015840399        -2.929466643        0.8773040397    
O          3.004575903        -2.176004412        -1.345729385    
H          2.146658508        -2.531841624        -1.715573271    
H          3.702226003        -2.715192839        -1.716893262    
O          2.207895109        0.4083335245        -1.522521301    
H          2.663084287       -0.4497993021        -1.545748472    
H          1.410977057        0.2469344447       -0.9638604941    
O        -0.7089551453        -1.122472173        -3.652769314    
H        -0.8223237631        -1.293108536        -4.587913549    
H        -0.2480194020       -0.2409894362        -3.591071204    
O         -3.319057045        -2.181551350       -0.1702697730E-01
H         -3.257994067        -1.669484316       -0.8727477567    
H         -4.070387239        -2.767322054       -0.1056329074    
O          3.273229093        0.5940738090         2.146976304    
H          3.998280494        0.8308675611         2.724125117    
H          3.288914365         1.244061597         1.388414091    
O         -2.987233503         2.044299372         1.387014952    
H         -3.826843845         2.446318422         1.608771365    
H         -3.046130903         1.096544015         1.718770062    
O          2.828711457        -2.054397496         1.424746572    
H          2.994896711        -1.130970560         1.677168196    
H          2.883066037        -2.086755342        0.4537642245    
O         0.2624989746E-01   -0.8480901702E-01   -0.8344450974E-01
H        -0.7412669661        0.4023712567       -0.4510409463    
H        -0.2122315824        -1.038539540       -0.9573313040E-01
O         0.7236450539        -3.034679964        -2.282462386    
H         0.2706425772        -2.367269296        -2.829224179    
H         0.1976665581        -3.072279456        -1.464005563    
O          3.198425178         2.267188530        0.1412334409    
H          2.427398593         2.856644261        0.1974423857    
H          2.972482861         1.635170816       -0.5722130921    
O         0.5699080184        0.6745474865         2.426507721    
H          1.537917202        0.6339998174         2.497313415    
H         0.3688056957        0.3851618492         1.508015588    
O         -3.051552536       -0.8159513089        -2.230340964    
H         -2.827643350        0.5631493661E-01    -1.861077829    
H         -2.260547795        -1.069341014        -2.739147443    
    63
Energy=    -106.839321202550    
O         0.5903493147         1.154019792        -3.531998421    
H         0.1490649312         1.906239336        -3.110830587    
H          1.313167784        0.9130752918        -2.916159408    
O        -0.5455333969         3.076995393         2.136300433    
H         -1.448004367         2.809855005         1.890435844    
H        -0.1086081620         2.237255927         2.399819163    
O        -0.4283879909         3.351067477        -2.071890036    
H        -0.5102840080         4.186097641        -2.532472918    
H         0.1281503448         3.513806603        -1.275785184    
O         0.9253179604         3.878693002        0.1765526033    
H         0.3399053095         3.552621554        0.9308963667    
H          1.155118801         4.780862667        0.4005263221    
O         -3.233240568       -0.4173451824         2.145253066    
H         -2.491802474       -0.7296184257         2.710906827    
H         -3.275747137        -1.031993926         1.394970566    
O         -2.019576544         1.383373672        -1.025657406    
H         -1.572900717         2.135272780        -1.444143513    
H         -2.418703818         1.705044431       -0.1929825991    
O         -1.058831445        -1.220905692         3.500466890    
H        -0.4788529524       -0.4639347952         3.299324502    
H        -0.5725808787        -1.992628446         3.176242687    
O         0.6145762200        -3.144004133         2.327921534    
H          1.449378171        -2.692865312         2.028526353    
H         0.8850514789        -3.989174606         2.685986608    
O        -0.6675319735        -2.663644271        0.1249958753E-01
H         -1.637121640        -2.617930574        0.9779380939E-01
H        -0.3016113395        -2.929517783        0.8772844929    
O          3.004625602        -2.176005515        -1.345744187    
H          2.146718635        -2.531843410        -1.715599586    
H          3.702280462        -2.715185417        -1.716904800    
O          2.207904977        0.4083254767        -1.522507673    
H          2.663098997       -0.4498032599        -1.545739237    
H          1.410987711        0.2469321552       -0.9638479987    
O        -0.7089529548        -1.122512595        -3.652779485    
H        -0.8223571304        -1.293133178        -4.587925382    
H        -0.2479929234       -0.2410394549        -3.591076203    
O         -3.319089518        -2.181541075       -0.1704471059E-01
H         -3.258020698        -1.669468959       -0.8727592909    
H         -4.070432861        -2.767289096       -0.1056516261    
O          3.273238432        0.5940949739         2.146950871    
H          3.998325854        0.8308638608         2.724058502    
H          3.288915307         1.244074053         1.388383236    
O         -2.987240598         2.044294111         1.387013630    
H         -3.826830362         2.446325691         1.608809227    
H         -3.046136243         1.096540021         1.718777245    
O          2.828665639        -2.054360739         1.424733804    
H          2.994870503        -1.130934988         1.677154876    
H          2.883042407        -2.086724785        0.4537547465    
O         0.2625642568E-01   -0.8486154180E-01   -0.8344750742E-01
H        -0.7412596103        0.4023280329       -0.4510408963    
H        -0.2122437798        -1.038581607       -0.9570094911E-01
O         0.7236967032        -3.034714535        -2.282483856    
H         0.2706731219        -2.367320742        -2.829251863    
H         0.1977109097        -3.072323333        -1.464040524    
O          3.198447783         2.267225326        0.1412019481    
H          2.427423272         2.856680410        0.1974241135    
H          2.972492040         1.635197331       -0.5722306363    
O         0.5699068368        0.6745408019         2.426494694    
H          1.537917349        0.6340234461         2.497309529    
H         0.3688178058        0.3851314561         1.508016794    
O         -3.051549921       -0.8159083110        -2.230357007    
H         -2.827614794        0.5634480365E-01    -1.861085879    
H         -2.260545177        -1.069329232        -2.739142018    
    63
Energy=    -106.839321215690    
O         0.5903676348         1.153995691        -3.531978873    
H         0.1490793119         1.906215518        -3.110814547    
H          1.313194501        0.9130569053        -2.916149904    
O        -0.5455398661         3.077012034         2.136295972    
H         -1.448013192         2.809891054         1.890434820    
H        -0.1086255990         2.237260037         2.399775631    
O        -0.4284072567         3.351081305        -2.071878099    
H        -0.5104306351         4.186143075        -2.532377694    
H         0.1281513694         3.513819193        -1.275783058    
O         0.9253265810         3.878756525        0.1765576098    
H         0.3399288800         3.552679529        0.9309055047    
H          1.155160425         4.780915834        0.4005466369    
O         -3.233255784       -0.4173457340         2.145269693    
H         -2.491833967       -0.7296456736         2.710947046    
H         -3.275750510        -1.031969160         1.394976248    
O         -2.019550702         1.383353292        -1.025603833    
H         -1.572907402         2.135266141        -1.444107944    
H         -2.418702087         1.705032609       -0.1929418743    
O         -1.058860174        -1.220877026         3.500450148    
H        -0.4788673895       -0.4639109678         3.299367154    
H        -0.5726073912        -1.992598597         3.176242507    
O         0.6145163123        -3.144020602         2.327955254    
H          1.449311850        -2.692864757         2.028538891    
H         0.8850252748        -3.989156910         2.686070291    
O        -0.6675729929        -2.663716751        0.1248067751E-01
H         -1.637146224        -2.618024701        0.9776485458E-01
H        -0.3016600020        -2.929598961        0.8772724866    
O          3.004684509        -2.176013565        -1.345752596    
H          2.146781841        -2.531851865        -1.715622639    
H          3.702356553        -2.715194041        -1.716898489    
O          2.207921142        0.4083181322        -1.522506394    
H          2.663116116       -0.4498135634        -1.545740940    
H          1.411005557        0.2469041028       -0.9638437171    
O        -0.7089193504        -1.122519318        -3.652796308    
H        -0.8223876243        -1.293138364        -4.587932759    
H        -0.2479262405       -0.2410727397        -3.591077401    
O         -3.319132237        -2.181551547       -0.1707281470E-01
H         -3.258054976        -1.669459098       -0.8727753887    
H         -4.070505946        -2.767263690       -0.1056796588    
O          3.273247930        0.5941118965         2.146911512    
H          3.998387691        0.8308454923         2.723969498    
H          3.288926780         1.244074140         1.388332724    
O         -2.987259219         2.044290321         1.387044085    
H         -3.826830931         2.446338056         1.608893190    
H         -3.046153645         1.096534524         1.718801832    
O          2.828597410        -2.054320907         1.424728575    
H          2.994831072        -1.130896516         1.677139285    
H          2.883009117        -2.086705605        0.4537526670    
O         0.2626364160E-01   -0.8493425244E-01   -0.8346012880E-01
H        -0.7412491337        0.4022655239       -0.4510358398    
H        -0.2122535349        -1.038659630       -0.9566604062E-01
O         0.7237667962        -3.034726948        -2.282516768    
H         0.2707160428        -2.367356846        -2.829286843    
H         0.1977583667        -3.072362582        -1.464089278    
O          3.198482062         2.267272687        0.1411515106    
H          2.427457820         2.856731345        0.1973960404    
H          2.972513365         1.635234388       -0.5722673805    
O         0.5699112271        0.6745456162         2.426477351    
H          1.537917966        0.6340692280         2.497304719    
H         0.3688365064        0.3850921249         1.507992278    
O         -3.051533955       -0.8158659951        -2.230365158    
H         -2.827581293        0.5638473442E-01    -1.861079838    
H         -2.260521289        -1.069296541        -2.739135003    
    63
Energy=    -106.839321273610    
O         0.5904014363         1.153771267        -3.531782759    
H         0.1490742870         1.905978434        -3.110651823    
H          1.313245415        0.9128946903        -2.915943623    
O        -0.5454881285         3.076964624         2.136099059    
H         -1.447978609         2.809831863         1.890337435    
H        -0.1085335883         2.237239422         2.399612136    
O        -0.4283694633         3.350959196        -2.071637583    
H        -0.5108207895         4.185916180        -2.532248818    
H         0.1282005628         3.514062045        -1.275634019    
O         0.9254220319         3.879266029        0.1766339602    
H         0.3400024955         3.552963800        0.9308624133    
H          1.155354394         4.781317205        0.4009570150    
O         -3.233425445       -0.4174481703         2.145241087    
H         -2.491918830       -0.7296203662         2.710880913    
H         -3.275917641        -1.032131536         1.394993454    
O         -2.019296158         1.383300259        -1.025175781    
H         -1.572642380         2.135209389        -1.443686826    
H         -2.418562275         1.705021688       -0.1925883457    
O         -1.058974673        -1.220724726         3.500483605    
H        -0.4788865680       -0.4638158454         3.299482454    
H        -0.5728650644        -1.992480635         3.176116392    
O         0.6140798129        -3.144035345         2.327869543    
H          1.448769434        -2.692744762         2.028380744    
H         0.8848424506        -3.988878185         2.686483719    
O        -0.6677257764        -2.664160183        0.1210152673E-01
H         -1.637294618        -2.618362588        0.9732989521E-01
H        -0.3019402485        -2.930075833        0.8769291757    
O          3.004968083        -2.176004842        -1.345813858    
H          2.147109468        -2.531931459        -1.715705816    
H          3.702721103        -2.715058843        -1.716984085    
O          2.207999842        0.4082321180        -1.522352803    
H          2.663337848       -0.4498226319        -1.545669049    
H          1.411170067        0.2466659179       -0.9636164560    
O        -0.7088192945        -1.122773699        -3.652636669    
H        -0.8221745686        -1.293374676        -4.587790985    
H        -0.2478574147       -0.2413149590        -3.590866795    
O         -3.319291724        -2.181537342       -0.1721039308E-01
H         -3.258158875        -1.669271239       -0.8728069038    
H         -4.070950451        -2.766882361       -0.1058322454    
O          3.273373071        0.5943361383         2.146467183    
H          3.998562118        0.8309503638         2.723510835    
H          3.289041631         1.244381619         1.387964535    
O         -2.987405541         2.044316695         1.387333006    
H         -3.826998486         2.446354782         1.609124608    
H         -3.046348691         1.096524545         1.718963353    
O          2.828047096        -2.054157501         1.424550450    
H          2.994458837        -1.130738174         1.676841317    
H          2.882665723        -2.086708431        0.4535931113    
O         0.2638704665E-01   -0.8532654644E-01   -0.8326256768E-01
H        -0.7410880092        0.4020213302       -0.4507290959    
H        -0.2122104578        -1.039016808       -0.9570752439E-01
O         0.7241685048        -3.034923534        -2.282638882    
H         0.2711363574        -2.367564880        -2.829443001    
H         0.1980536548        -3.072622360        -1.464284239    
O          3.198462913         2.267640073        0.1408095706    
H          2.427429455         2.857084145        0.1970719962    
H          2.972457281         1.635512301       -0.5725145927    
O         0.5700673923        0.6745822540         2.426556012    
H          1.538089735        0.6342690793         2.497222980    
H         0.3689018776        0.3848981699         1.508163938    
O         -3.051539659       -0.8156019987        -2.230301711    
H         -2.827469845        0.5658673570E-01    -1.860935772    
H         -2.260537049        -1.069184298        -2.739004917    
    63
Energy=    -106.839321297040    
O         0.5904374780         1.153741628        -3.531751652    
H         0.1491171920         1.905972336        -3.110654119    
H          1.313237833        0.9128475080        -2.915866677    
O        -0.5454698680         3.076934544         2.136060959    
H         -1.447968845         2.809799335         1.890347873    
H        -0.1084947722         2.237210563         2.399556859    
O        -0.4283335697         3.350904010        -2.071593596    
H        -0.5108716724         4.185821846        -2.532261675    
H         0.1282469826         3.514096841        -1.275618060    
O         0.9254464189         3.879369827        0.1766501222    
H         0.3400249802         3.553041978        0.9308616481    
H          1.155351004         4.781420359        0.4009952485    
O         -3.233482221       -0.4174845591         2.145244693    
H         -2.491952542       -0.7296385498         2.710873807    
H         -3.275898026        -1.032107116         1.394943552    
O         -2.019214118         1.383242250        -1.025035217    
H         -1.572519969         2.135146125        -1.443513577    
H         -2.418530467         1.704980398       -0.1924744848    
O         -1.058987447        -1.220694069         3.500466178    
H        -0.4788882363       -0.4637919924         3.299472927    
H        -0.5729014444        -1.992443873         3.176044253    
O         0.6139494568        -3.144019826         2.327807829    
H          1.448634996        -2.692719246         2.028317294    
H         0.8847299733        -3.988799990         2.686560345    
O        -0.6677734215        -2.664212439        0.1198494561E-01
H         -1.637342133        -2.618373494        0.9721258403E-01
H        -0.3020166415        -2.930120843        0.8768235687    
O          3.005010852        -2.175997271        -1.345845626    
H          2.147158094        -2.531943134        -1.715744318    
H          3.702781998        -2.715046220        -1.716991166    
O          2.207985260        0.4082027539        -1.522315054    
H          2.663331379       -0.4498515404        -1.545652554    
H          1.411169872        0.2465985870       -0.9635622383    
O        -0.7088093582        -1.122798000        -3.652551611    
H        -0.8221085284        -1.293460900        -4.587700901    
H        -0.2478353908       -0.2413443914        -3.590793822    
O         -3.319313242        -2.181529706       -0.1722505753E-01
H         -3.258161831        -1.669262127       -0.8728201557    
H         -4.071013793        -2.766825743       -0.1058171907    
O          3.273383925        0.5943940560         2.146368786    
H          3.998573116        0.8310353644         2.723399782    
H          3.289018956         1.244445185         1.387869206    
O         -2.987468518         2.044287291         1.387354428    
H         -3.827048092         2.446341423         1.609162667    
H         -3.046414731         1.096502490         1.719009917    
O          2.827927555        -2.054111703         1.424511283    
H          2.994352870        -1.130683291         1.676758182    
H          2.882633491        -2.086717188        0.4535604293    
O         0.2641535002E-01   -0.8540965946E-01   -0.8320558225E-01
H        -0.7410447741        0.4019690868       -0.4506550234    
H        -0.2121746501        -1.039105896       -0.9570198330E-01
O         0.7242434638        -3.034925895        -2.282658348    
H         0.2711567662        -2.367547602        -2.829398158    
H         0.1981097255        -3.072741055        -1.464321760    
O          3.198453830         2.267737194        0.1407363703    
H          2.427436961         2.857204874        0.1970140976    
H          2.972415381         1.635589015       -0.5725593171    
O         0.5701282226        0.6745603811         2.426567178    
H          1.538158591        0.6342796324         2.497224404    
H         0.3689697680        0.3848517558         1.508183986    
O         -3.051525895       -0.8155398366        -2.230301740    
H         -2.827400655        0.5659990526E-01    -1.860851644    
H         -2.260515790        -1.069123785        -2.738993614    
    63
Energy=    -106.839321311000    
O         0.6669257026        0.9728957181        -3.882378496    
H         0.9036504896         1.152717842        -2.948247346    
H          1.501007646        0.7585998010        -4.304272241    
O        -0.5654472237         3.099516823         2.322319245    
H         -1.446510774         2.844612456         1.997258613    
H        -0.1336232939         2.245056727         2.539815752    
O        -0.4531151351E-01     2.976157551        -1.810580716    
H         0.1470892077         3.563785493        -2.540701712    
H         0.3663837301         3.353185282        -1.009649316    
O         0.9688125548         4.044102883        0.4676282256    
H         0.3689443773         3.675226582         1.186453542    
H          1.068434200         4.975539821        0.6632402656    
O         -3.188074355       -0.3887271033         2.133423880    
H         -2.465755111       -0.7174888705         2.713074610    
H         -3.239893132        -1.012455921         1.391678121    
O         -2.060254421         1.362711174        -1.047746761    
H         -1.423432160         2.000283826        -1.417776691    
H         -2.426762834         1.753980395       -0.2325885034    
O         -1.059512963        -1.259435885         3.533230628    
H        -0.4851411477       -0.4902436367         3.366469468    
H        -0.5689155271        -2.010907749         3.170072897    
O         0.6380363747        -3.123673146         2.290822343    
H          1.444896243        -2.639438461         1.968330964    
H         0.9557403960        -3.942272125         2.671085204    
O        -0.6828381230        -2.740514390       -0.2057534300E-01
H         -1.650421798        -2.691947399        0.8097203011E-01
H        -0.3036635454        -2.988682057        0.8436190005    
O          2.913242138        -1.900079220        -1.441582327    
H          2.088929024        -2.347225305        -1.784742473    
H          3.650513778        -2.433692606        -1.737098674    
O          1.923482264        0.6539262180        -1.506924377    
H          2.429689708       -0.1716962926        -1.564961322    
H          1.167165670        0.4303353820       -0.9156231454    
O        -0.8108951911        -1.230500313        -3.758802857    
H         -1.085494983        -1.401488859        -4.660131783    
H        -0.3241081227       -0.3686632240        -3.771980225    
O         -3.325293124        -2.199888406        0.7616566263E-02
H         -3.275540263        -1.688527423       -0.8485422206    
H         -4.111262868        -2.742769843       -0.4679420982E-01
O          3.245497435        0.6560544722         2.148653284    
H          3.957274035        0.9099927161         2.734840706    
H          3.250896638         1.311958705         1.392659269    
O         -2.953281044         2.090738841         1.391181285    
H         -3.792243258         2.484667367         1.629311571    
H         -3.002364089         1.141018985         1.709343047    
O          2.789996403        -1.952123718         1.334169784    
H          2.962382587        -1.046568078         1.641928614    
H          2.800375502        -1.911990149        0.3616603677    
O        -0.1048198104       -0.1192355212        0.1915648178E-01
H        -0.8824704762        0.3487604913       -0.3562552741    
H        -0.2914807959        -1.080555971       -0.4199277123E-01
O         0.7225430876        -3.025747492        -2.318397121    
H         0.2087220720        -2.424790655        -2.884479187    
H         0.2051663229        -3.085445050        -1.495097632    
O          3.140290697         2.354986343        0.1751193367    
H          2.435465282         3.002706388        0.3453471579    
H          2.779258716         1.780596472       -0.5340277225    
O         0.5441124454        0.6760184275         2.497513288    
H          1.515103503        0.6553913407         2.520771713    
H         0.3011560743        0.3841892955         1.591037935    
O         -3.089178051       -0.8435276177        -2.216754281    
H         -2.863189378        0.3630159461E-01    -1.864854656    
H         -2.307493822        -1.104955323        -2.732736327    
    63
Energy=    -106.839321311770    
O         0.6669860431        0.9717387214        -3.882124428    
H         0.9076337394         1.149208677        -2.948033978    
H          1.500303198        0.7596314553        -4.306893692    
O        -0.5654643627         3.099571034         2.322375830    
H         -1.446471304         2.844691345         1.997190379    
H        -0.1336704028         2.245097495         2.539890616    
O        -0.4767521909E-01     2.978153102        -1.810719195    
H         0.1483433074         3.561765390        -2.540361018    
H         0.3664434462         3.353990089        -1.009017518    
O         0.9693061181         4.044460345        0.4680622285    
H         0.3691321719         3.675425957         1.186680019    
H          1.068441028         4.975768595        0.6635858907    
O         -3.188110145       -0.3887723405         2.133441437    
H         -2.465786962       -0.7175178664         2.713093514    
H         -3.239888879        -1.012466284         1.391670776    
O         -2.060254781         1.362313192        -1.047544506    
H         -1.423556927         2.000058835        -1.417711887    
H         -2.426780516         1.753907924       -0.2325892051    
O         -1.059522565        -1.259491584         3.533263882    
H        -0.4851623354       -0.4902589726         3.366556374    
H        -0.5689124906        -2.010917992         3.170069828    
O         0.6380568496        -3.123690064         2.290790081    
H          1.444893095        -2.639454242         1.968298612    
H         0.9557460199        -3.942266449         2.671101172    
O        -0.6828312766        -2.740485812       -0.2060738231E-01
H         -1.650428260        -2.691942145        0.8091579653E-01
H        -0.3036894538        -2.988692892        0.8435938087    
O          2.912967212        -1.899537882        -1.441792286    
H          2.088680835        -2.347007595        -1.784855843    
H          3.650388575        -2.433096610        -1.737091256    
O          1.923100423        0.6536825593        -1.507227330    
H          2.429009536       -0.1721020292        -1.564794011    
H          1.166520450        0.4304702517       -0.9158687927    
O        -0.8109658187        -1.230545466        -3.758787810    
H         -1.085469700        -1.401057239        -4.660065106    
H        -0.3239673481       -0.3685349756        -3.771946940    
O         -3.325257229        -2.199920423        0.7603844547E-02
H         -3.275520255        -1.688509560       -0.8485986446    
H         -4.111256612        -2.742746825       -0.4679229412E-01
O          3.245554994        0.6560324277         2.148595328    
H          3.957241712        0.9100364178         2.734852751    
H          3.250876728         1.311955826         1.392687391    
O         -2.953326431         2.090761280         1.391257407    
H         -3.792266428         2.484707776         1.629357248    
H         -3.002415987         1.141039928         1.709392941    
O          2.789995597        -1.952099384         1.334065833    
H          2.962404083        -1.046571157         1.641930045    
H          2.800272257        -1.911808659        0.3615732058    
O        -0.1047846254       -0.1191958743        0.1927213449E-01
H        -0.8824762359        0.3488800416       -0.3561773017    
H        -0.2915190785        -1.080509891       -0.4194572614E-01
O         0.7225528433        -3.025627633        -2.318411288    
H         0.2086496056        -2.424767040        -2.884541278    
H         0.2051125394        -3.085412279        -1.495121037    
O          3.140223146         2.355157800        0.1751087799    
H          2.435498682         3.002999757        0.3455509235    
H          2.779054341         1.780921877       -0.5340525499    
O         0.5441352789        0.6760183394         2.497677032    
H          1.515115315        0.6553967217         2.520833272    
H         0.3010875392        0.3842146878         1.591207504    
O         -3.089165913       -0.8436132993        -2.216767863    
H         -2.863157805        0.3624925670E-01    -1.864831244    
H         -2.307460261        -1.104929039        -2.732764993    
    63
Energy=    -106.839321314190    
O         0.6743900676        0.9557271590        -3.875736776    
H         0.9640752617         1.095959816        -2.943039780    
H          1.488059983        0.7744103656        -4.350471938    
O        -0.5655301670         3.100396021         2.323181057    
H         -1.445956207         2.845885362         1.996092057    
H        -0.1344223560         2.245768286         2.541019472    
O        -0.8286396212E-01     3.003296080        -1.799146224    
H         0.1698710916         3.538358637        -2.544234038    
H         0.3643871059         3.364521561        -1.003901702    
O         0.9766183305         4.048398503        0.4746694563    
H         0.3721202262         3.678505366         1.189838468    
H          1.068617300         4.980363353        0.6689411489    
O         -3.188651895       -0.3894551234         2.133763350    
H         -2.466292968       -0.7179626426         2.713357061    
H         -3.239824449        -1.012639680         1.391521577    
O         -2.059746399         1.356419413        -1.044558324    
H         -1.426085171         1.996386180        -1.416672338    
H         -2.427188728         1.752754431       -0.2325064931    
O         -1.059628254        -1.260205731         3.533806996    
H        -0.4855524723       -0.4905759488         3.367895535    
H        -0.5688356281        -2.011135983         3.169987269    
O         0.6383127724        -3.123934041         2.290316999    
H          1.444867787        -2.639693157         1.967798109    
H         0.9558549790        -3.942216236         2.671358732    
O        -0.6827232116        -2.740069832       -0.2105415160E-01
H         -1.650512065        -2.691831756        0.8002971338E-01
H        -0.3041019915        -2.988837122        0.8431710811    
O          2.908674173        -1.891656487        -1.445004251    
H          2.085085874        -2.343592171        -1.786537994    
H          3.648418855        -2.423994688        -1.737002666    
O          1.916240980        0.6507243036        -1.512102090    
H          2.418684805       -0.1783493282        -1.562170011    
H          1.157433281        0.4323882688       -0.9198144251    
O        -0.8114161463        -1.230680486        -3.757840995    
H         -1.085437361        -1.394782495        -4.659808050    
H        -0.3227460571       -0.3680596042        -3.771243738    
O         -3.324667125        -2.200272236        0.7215588832E-02
H         -3.275195508        -1.688345667       -0.8492847817    
H         -4.111182546        -2.742407694       -0.4677238545E-01
O          3.246375868        0.6556199093         2.147772481    
H          3.956807499        0.9107200963         2.735082654    
H          3.250607766         1.311954784         1.393052014    
O         -2.953866846         2.091074138         1.392483376    
H         -3.792728500         2.485363614         1.630070921    
H         -3.003224357         1.141386276         1.710123609    
O          2.790047550        -1.951647690         1.332519503    
H          2.962705755        -1.046691465         1.641941382    
H          2.798668131        -1.909061465        0.3602110952    
O        -0.1043350568       -0.1184571058        0.2074173514E-01
H        -0.8824844930        0.3506418449       -0.3548920532    
H        -0.2920485979        -1.079713586       -0.4120965028E-01
O         0.7226230314        -3.023790625        -2.318506657    
H         0.2075054691        -2.424372654        -2.885467335    
H         0.2043763417        -3.084863253        -1.495643483    
O          3.138994363         2.357814673        0.1746674033    
H          2.436089796         3.007376211        0.3486911429    
H          2.776061727         1.785769209       -0.5342263282    
O         0.5444286969        0.6760295966         2.500074634    
H          1.515331453        0.6554592594         2.521792331    
H         0.3000506501        0.3845955630         1.593812224    
O         -3.088936357       -0.8447211788        -2.216853064    
H         -2.862762215        0.3525550641E-01    -1.864537201    
H         -2.306928775        -1.104549058        -2.733251769    
    63
Energy=    -106.839321315130    
O         0.6815565645        0.9417309149        -3.869660614    
H          1.013676033         1.048783428        -2.939035277    
H          1.476938487        0.7874891776        -4.388985490    
O        -0.5655795743         3.101122614         2.323884284    
H         -1.445502255         2.846942950         1.995119281    
H        -0.1350894889         2.246366546         2.542017201    
O        -0.1138024698         3.025507912        -1.788446513    
H         0.1889762720         3.517808323        -2.547872357    
H         0.3623539278         3.373736521       -0.9996402448    
O         0.9830712103         4.051817879        0.4805287263    
H         0.3747743461         3.681226856         1.192606497    
H          1.068775184         4.984457506        0.6736670915    
O         -3.189130930       -0.3900589634         2.134048910    
H         -2.466741866       -0.7183565530         2.713588775    
H         -3.239767467        -1.012792833         1.391388712    
O         -2.059267582         1.351221509        -1.041913520    
H         -1.428367425         1.993130051        -1.415758356    
H         -2.427565741         1.751721115       -0.2324248997    
O         -1.059718893        -1.260831805         3.534288919    
H        -0.4859008469       -0.4908600483         3.369080549    
H        -0.5687669303        -2.011331297         3.169912920    
O         0.6385348063        -3.124149990         2.289901497    
H          1.444847617        -2.639905535         1.967355849    
H         0.9559528164        -3.942172525         2.671586465    
O        -0.6826296229        -2.739701730       -0.2144674816E-01
H         -1.650582762        -2.691731462        0.7924374747E-01
H        -0.3044679347        -2.988963577        0.8427956096    
O          2.904869416        -1.884724234        -1.447831018    
H          2.081932003        -2.340564416        -1.788024920    
H          3.646666407        -2.415946290        -1.736930086    
O          1.910128960        0.6481421958        -1.516390063    
H          2.409571605       -0.1838500844        -1.559878217    
H          1.149419369        0.4340804671       -0.9232918516    
O        -0.8117771533        -1.230742116        -3.756994849    
H         -1.085448435        -1.389286894        -4.659631162    
H        -0.3216972053       -0.3677256569        -3.770573404    
O         -3.324145089        -2.200573391        0.6856437616E-02
H         -3.274906779        -1.688212186       -0.8498744688    
H         -4.111115378        -2.742106380       -0.4675587491E-01
O          3.247098750        0.6552507463         2.147052122    
H          3.956425210        0.9113247711         2.735286772    
H          3.250375738         1.311961978         1.393366048    
O         -2.954336847         2.091349409         1.393571218    
H         -3.793140643         2.485944094         1.630702182    
H         -3.003940560         1.141695605         1.710768318    
O          2.790097340        -1.951242182         1.331150985    
H          2.962971601        -1.046802190         1.641952944    
H          2.797248166        -1.906637553        0.3590051325    
O        -0.1039381767       -0.1177955449        0.2201433312E-01
H        -0.8824847338        0.3521896157       -0.3537446004    
H        -0.2925126231        -1.078996188       -0.4055775697E-01
O         0.7226771318        -3.022166424        -2.318588453    
H         0.2064975783        -2.424025692        -2.886279228    
H         0.2037297124        -3.084373843        -1.496113156    
O          3.137891259         2.360157514        0.1742656159    
H          2.436621948         3.011230300        0.3514619436    
H          2.773424937         1.790051423       -0.5343704191    
O         0.5446856969        0.6760389941         2.502182315    
H          1.515523809        0.6555129155         2.522643340    
H         0.2991341745        0.3849316826         1.596114933    
O         -3.088728162       -0.8456873829        -2.216928877    
H         -2.862420868        0.3436705632E-01    -1.864276088    
H         -2.306462532        -1.104219500        -2.733681679    
    63
Energy=    -106.839321316740    
O         0.7140482613        0.9153465116        -3.854622869    
H          1.107971979        0.9499198178        -2.940181911    
H          1.446629166        0.8137634776        -4.464617328    
O        -0.5655611088         3.102515208         2.324988800    
H         -1.444520180         2.849395625         1.993047427    
H        -0.1365626233         2.247852595         2.544233037    
O        -0.1652770702         3.082571298        -1.765306440    
H         0.2242834953         3.468710703        -2.549705740    
H         0.3487134227         3.390493950       -0.9967913718    
O         0.9964487179         4.057881691        0.4939599197    
H         0.3810564659         3.686945106         1.197772162    
H          1.069190862         4.993140247        0.6830568947    
O         -3.190160890       -0.3913298046         2.134602385    
H         -2.467762634       -0.7192663218         2.714082395    
H         -3.239654765        -1.013127255         1.391103097    
O         -2.057002890         1.340635195        -1.035750380    
H         -1.434398351         1.986727334        -1.414575832    
H         -2.429285400         1.748683298       -0.2317253820    
O         -1.059879987        -1.262114359         3.535353917    
H        -0.4867066028       -0.4915369821         3.371694187    
H        -0.5686088032        -2.011814654         3.169739133    
O         0.6388395481        -3.124619709         2.289107637    
H          1.444906892        -2.640439992         1.966431913    
H         0.9562275347        -3.942085105         2.672072300    
O        -0.6824704280        -2.738772214       -0.2224301028E-01
H         -1.650618329        -2.691400378        0.7745134576E-01
H        -0.3052852279        -2.989207804        0.8419568938    
O          2.896348249        -1.871459762        -1.452809045    
H          2.076078682        -2.333841239        -1.791427787    
H          3.642533844        -2.398641635        -1.737238775    
O          1.897499690        0.6427825929        -1.522760033    
H          2.391217036       -0.1947549510        -1.556078451    
H          1.132553596        0.4374733066       -0.9302664276    
O        -0.8122274546        -1.229131738        -3.756304943    
H         -1.086951530        -1.379784611        -4.660356090    
H        -0.3192508486       -0.3696214620        -3.766602720    
O         -3.323058455        -2.200936775        0.5666205913E-02
H         -3.274231983        -1.688387972       -0.8505796279    
H         -4.110851070        -2.741360358       -0.4677916325E-01
O          3.248496949        0.6543669188         2.145745706    
H          3.955652128        0.9126250732         2.735752295    
H          3.250162557         1.312371291         1.393646484    
O         -2.955151970         2.091895437         1.395861286    
H         -3.794003066         2.487169307         1.632035888    
H         -3.005564264         1.142450924         1.712199738    
O          2.790283888        -1.950249657         1.328100725    
H          2.963566345        -1.047095177         1.642080103    
H          2.794122526        -1.901642613        0.3563446125    
O        -0.1028794965       -0.1160543370        0.2353528743E-01
H        -0.8823909554        0.3549419735       -0.3506777890    
H        -0.2932405195        -1.076873433       -0.3909298741E-01
O         0.7224572246        -3.018777608        -2.318801839    
H         0.2045455590        -2.423295530        -2.887748145    
H         0.2024433259        -3.083134788        -1.497280371    
O          3.135281576         2.364713779        0.1734394403    
H          2.438000325         3.019019231        0.3570867240    
H          2.767999593         1.799016057       -0.5346611020    
O         0.5451605101        0.6760165230         2.506245643    
H          1.515971921        0.6555552235         2.524617241    
H         0.2972467220        0.3855878850         1.600967617    
O         -3.088116915       -0.8473116190        -2.217380729    
H         -2.862129678        0.3218915659E-01    -1.863513890    
H         -2.305623994        -1.103929290        -2.734588778    
    63
Energy=    -106.839321319900    
O         0.7431263665        0.9435123124        -3.877778424    
H          1.163301963        0.8788170733        -2.976884878    
H          1.447218985        0.8316936838        -4.519543598    
O        -0.5664509857         3.105290020         2.325163345    
H         -1.444365705         2.854602898         1.988693665    
H        -0.1391940115         2.251089024         2.547859008    
O        -0.2289276933         3.166555273        -1.758861011    
H         0.2868121301         3.369585575        -2.549124838    
H         0.2829155232         3.463067944       -0.9798194800    
O          1.015552467         4.054464313        0.5087100932    
H         0.3978006306         3.685457320         1.210295016    
H          1.072919081         4.994823726        0.6804452022    
O         -3.191081247       -0.3927065458         2.134753563    
H         -2.470337437       -0.7219026680         2.715586987    
H         -3.239828794        -1.014383252         1.391170180    
O         -2.046031695         1.333573346        -1.025841159    
H         -1.466709187         2.016297705        -1.417874301    
H         -2.440249943         1.725142164       -0.2245997591    
O         -1.061564153        -1.264443741         3.536159677    
H        -0.4879033050       -0.4933343728         3.376566850    
H        -0.5681221247        -2.012723959         3.170180455    
O         0.6395108257        -3.125324029         2.287782438    
H          1.446355800        -2.641576724         1.964874141    
H         0.9571831385        -3.941519717         2.672813389    
O        -0.6804851978        -2.734124058       -0.2435758101E-01
H         -1.648711266        -2.687922896        0.7396126012E-01
H        -0.3050271087        -2.987915461        0.8397880973    
O          2.888350828        -1.880935254        -1.439147240    
H          2.072691604        -2.336543596        -1.796724913    
H          3.640649482        -2.381867680        -1.752981249    
O          1.900005421        0.6429517468        -1.505012624    
H          2.405171335       -0.1857221640        -1.545042097    
H          1.136653706        0.4272416435       -0.9092118957    
O        -0.8173780218        -1.242662999        -3.763032203    
H         -1.101437241        -1.383665088        -4.667345903    
H        -0.3115477501       -0.3946879967        -3.753672555    
O         -3.321915494        -2.201694874        0.4643417377E-02
H         -3.272841118        -1.691413577       -0.8522333959    
H         -4.110722626        -2.740680912       -0.4678210523E-01
O          3.247555312        0.6582821342         2.144821448    
H          3.954336928        0.9152014132         2.735282452    
H          3.253548180         1.315279013         1.389928280    
O         -2.958799055         2.089877388         1.394632419    
H         -3.794206900         2.490456551         1.633660004    
H         -3.008480177         1.143182445         1.718589771    
O          2.788726421        -1.949816316         1.328363323    
H          2.964681705        -1.047111863         1.641470938    
H          2.787045508        -1.899427947        0.3563852052    
O        -0.9853838695E-01   -0.1135719990        0.2075707392E-01
H        -0.8861953898        0.3592429261       -0.3378453558    
H        -0.2848525253        -1.075177498       -0.3704062917E-01
O         0.7160043842        -3.019271045        -2.323588888    
H         0.1974030691        -2.422900437        -2.889916620    
H         0.2024333295        -3.077860947        -1.497000931    
O          3.139714236         2.360448858        0.1748968734    
H          2.445870199         3.015771126        0.3580945057    
H          2.763256912         1.795263365       -0.5317382127    
O         0.5440469024        0.6728689798         2.507158097    
H          1.514880297        0.6548225975         2.527856271    
H         0.3019384518        0.3861457498         1.599139158    
O         -3.094062439       -0.8470308760        -2.221322795    
H         -2.864040194        0.2822828232E-01    -1.858367405    
H         -2.311142847        -1.108558504        -2.734281074    
    63
Energy=    -106.839321322090    
O         0.7405008189        0.9320802502        -3.886853863    
H          1.145207059        0.9162669761        -2.989948161    
H          1.464022411        0.8328532975        -4.506163261    
O        -0.5666336167         3.105323526         2.327214044    
H         -1.443133956         2.855462587         1.986427857    
H        -0.1413905820         2.249666457         2.548211709    
O        -0.2491492137         3.191278139        -1.760100757    
H         0.3037989989         3.335086796        -2.536347354    
H         0.2541974915         3.492280381       -0.9870203937    
O          1.012889756         4.048444809        0.5035310088    
H         0.4039780962         3.683390656         1.213535191    
H          1.075516930         4.990267489        0.6754797732    
O         -3.191723450       -0.3940178647         2.135957435    
H         -2.470360186       -0.7228125714         2.716211080    
H         -3.239911629        -1.014836966         1.391634513    
O         -2.049924306         1.337518853        -1.030664678    
H         -1.479128381         2.030943028        -1.411163732    
H         -2.442258913         1.717054926       -0.2220531186    
O         -1.061658079        -1.265313828         3.536583630    
H        -0.4888704071       -0.4938859865         3.376469639    
H        -0.5682900714        -2.013568521         3.170316198    
O         0.6391440431        -3.125761867         2.286648329    
H          1.446249580        -2.641428964         1.965259249    
H         0.9572316136        -3.941236901         2.672949809    
O        -0.6789327135        -2.731975774       -0.2454689318E-01
H         -1.647156119        -2.686054324        0.7348656235E-01
H        -0.3031242789        -2.986796244        0.8391386037    
O          2.890102006        -1.884733593        -1.441550031    
H          2.074324361        -2.345354979        -1.791191143    
H          3.640731053        -2.384392729        -1.760310733    
O          1.900971586        0.6383942785        -1.512353016    
H          2.424198752       -0.1814465742        -1.535317092    
H          1.150404250        0.4235705483       -0.9025975636    
O        -0.8118057820        -1.242987341        -3.765651298    
H         -1.106158808        -1.386185178        -4.667863673    
H        -0.3132971576       -0.3929393363        -3.764225540    
O         -3.321303069        -2.202839693        0.3381509140E-02
H         -3.275076170        -1.692106008       -0.8530318352    
H         -4.110784979        -2.741219820       -0.4581517572E-01
O          3.247261079        0.6582768761         2.145263215    
H          3.953996609        0.9162703232         2.735311380    
H          3.254262213         1.315282897         1.390783506    
O         -2.959581835         2.088332549         1.394496472    
H         -3.794257957         2.491012446         1.633803591    
H         -3.010973521         1.142870306         1.720797052    
O          2.787853989        -1.948250539         1.331965459    
H          2.964409795        -1.044809347         1.643218722    
H          2.785887820        -1.905804163        0.3597635365    
O        -0.9475684943E-01   -0.1131614819        0.2706323432E-01
H        -0.8780740508        0.3591469966       -0.3378890120    
H        -0.2840819752        -1.073814819       -0.3859213034E-01
O         0.7161811997        -3.020504162        -2.323500352    
H         0.1935716045        -2.428764054        -2.891158616    
H         0.2026219555        -3.077586176        -1.497448059    
O          3.144956720         2.356649871        0.1714593407    
H          2.450767117         3.012495002        0.3580789858    
H          2.767512277         1.786989683       -0.5291078205    
O         0.5443369856        0.6736669483         2.505211281    
H          1.515047109        0.6552484189         2.529768701    
H         0.3030169424        0.3858515547         1.597125507    
O         -3.097050432       -0.8452592284        -2.218901832    
H         -2.862804723        0.2959006867E-01    -1.857950763    
H         -2.316987907        -1.110960305        -2.733718746    
    63
Energy=    -106.839321322100    
O         0.7454898541        0.9169917529        -3.888554234    
H          1.159261285        0.9151742795        -2.995903062    
H          1.469602485        0.8405105368        -4.515314620    
O        -0.5659275157         3.105047414         2.329083645    
H         -1.441400776         2.857218515         1.983947892    
H        -0.1437342337         2.247765435         2.549505303    
O        -0.2748268189         3.228146215        -1.761246737    
H         0.3179072689         3.295105104        -2.525462369    
H         0.2276936065         3.519028554       -0.9854452871    
O          1.014394469         4.048189862        0.5020109963    
H         0.4079189685         3.682261159         1.216447708    
H          1.078355921         4.986071264        0.6734342785    
O         -3.193014485       -0.3959173341         2.137683211    
H         -2.470443069       -0.7239741261         2.716806282    
H         -3.239842588        -1.015448385         1.391991870    
O         -2.054819170         1.338167914        -1.028867650    
H         -1.487940436         2.040147462        -1.406895484    
H         -2.446028999         1.709137544       -0.2200635746    
O         -1.061332734        -1.266380655         3.537646948    
H        -0.4899699345       -0.4943860547         3.376268373    
H        -0.5684922571        -2.014661621         3.170105398    
O         0.6385570308        -3.126539299         2.285732274    
H          1.445582243        -2.641197973         1.965957149    
H         0.9571224942        -3.941149769         2.673201316    
O        -0.6775023662        -2.729647910       -0.2493442373E-01
H         -1.645778926        -2.684404007        0.7290469470E-01
H        -0.3016339140        -2.985760182        0.8384611918    
O          2.890569246        -1.882736970        -1.445008713    
H          2.074638028        -2.348773918        -1.787231462    
H          3.639452814        -2.382957409        -1.766683183    
O          1.903214484        0.6343217035        -1.515900251    
H          2.431114996       -0.1818811555        -1.531989837    
H          1.152447922        0.4223166336       -0.9051292655    
O        -0.8112463291        -1.238666849        -3.772734264    
H         -1.111676715        -1.389293489        -4.667954126    
H        -0.3102252469       -0.3864976775        -3.770712973    
O         -3.320531100        -2.204601373        0.2580907515E-02
H         -3.277617821        -1.692191042       -0.8537331354    
H         -4.110592296        -2.741661876       -0.4465113687E-01
O          3.248419579        0.6576500553         2.145655419    
H          3.953814249        0.9170777197         2.736580613    
H          3.254717040         1.315075145         1.391970452    
O         -2.960196238         2.087629569         1.396274124    
H         -3.793964221         2.491200995         1.633817999    
H         -3.014138408         1.142200054         1.722657039    
O          2.787653543        -1.946870262         1.334955453    
H          2.963780840        -1.042997105         1.644172091    
H          2.785192567        -1.910159951        0.3622259237    
O        -0.8994300984E-01   -0.1119970321        0.3214932263E-01
H        -0.8687403147        0.3608736869       -0.3398627822    
H        -0.2845290307        -1.071593397       -0.3892788181E-01
O         0.7165400297        -3.022549465        -2.322634888    
H         0.1922720931        -2.434673223        -2.893084436    
H         0.2018078469        -3.078105453        -1.497376703    
O          3.147265841         2.357028235        0.1702792214    
H          2.457065770         3.010349275        0.3578405658    
H          2.769384699         1.782363555       -0.5306387636    
O         0.5448244243        0.6758074955         2.506128005    
H          1.515212482        0.6556263487         2.531973387    
H         0.3025006436        0.3855161833         1.598686095    
O         -3.098551918       -0.8434914103        -2.217054887    
H         -2.861477916        0.3138969215E-01    -1.857764060    
H         -2.321144875        -1.113465383        -2.733865476    
