    63
Energy=    -106.840664603390    
O         0.5882470726         1.152629321        -3.532603912    
H         0.1479009161         1.905310585        -3.111297373    
H          1.311336477        0.9112315296        -2.917248554    
O        -0.5407593544         3.077518253         2.136161510    
H         -1.443745841         2.811077572         1.891477873    
H        -0.1041627396         2.237477710         2.399288952    
O        -0.4277422041         3.350749580        -2.071936324    
H        -0.5106373639         4.185694624        -2.532491076    
H         0.1297371508         3.513816503        -1.276559489    
O         0.9283179564         3.878868800        0.1749536669    
H         0.3435722819         3.552947548        0.9298734643    
H          1.158945901         4.780832735        0.3989093135    
O         -3.231988981       -0.4146119407         2.148527664    
H         -2.490151811       -0.7272530044         2.713490091    
H         -3.275538443        -1.029240039         1.398292147    
O         -2.018597745         1.384456461        -1.022901873    
H         -1.571797467         2.135906450        -1.442090920    
H         -2.416917408         1.706732014       -0.1900783990    
O         -1.056775718        -1.219178198         3.501760219    
H        -0.4761913420       -0.4628059630         3.300196382    
H        -0.5717107667        -1.991355110         3.176817652    
O         0.6134154910        -3.143914388         2.327730303    
H          1.448080960        -2.693192201         2.027336373    
H         0.8840593325        -3.988627717         2.686736379    
O        -0.6701010285        -2.664237810        0.1288844370E-01
H         -1.639543662        -2.617345926        0.9901226075E-01
H        -0.3038089078        -2.930152877        0.8774940345    
O          3.002030361        -2.178774726        -1.348351034    
H          2.143548165        -2.534055188        -1.717401489    
H          3.698982152        -2.718603266        -1.719901152    
O          2.206869663        0.4060759059        -1.524398454    
H          2.661583993       -0.4522911850        -1.548171141    
H          1.410543265        0.2450390582       -0.9647839852    
O        -0.7131139315        -1.122797378        -3.651731231    
H        -0.8273952462        -1.293605536        -4.586734781    
H        -0.2513159315       -0.2417285571        -3.590619174    
O         -3.321168223        -2.178728338       -0.1380797677E-01
H         -3.260390899        -1.666609172       -0.8695165919    
H         -4.073407310        -2.763445430       -0.1016514279    
O          3.276147278        0.5926625635         2.142914302    
H          4.002150066        0.8289029942         2.719086866    
H          3.291389361         1.242556352         1.384284880    
O         -2.984349418         2.046838360         1.390169091    
H         -3.823335012         2.449753414         1.612659525    
H         -3.043939836         1.099138462         1.721965183    
O          2.827338849        -2.055679120         1.422147868    
H          2.994908358        -1.132349789         1.673975538    
H          2.881256783        -2.088652020        0.4511646111    
O         0.2654436001E-01   -0.8605795557E-01   -0.8295740282E-01
H        -0.7408146477        0.4020278522       -0.4496848196    
H        -0.2129447093        -1.039531722       -0.9521913357E-01
O         0.7196688325        -3.036011523        -2.282989211    
H         0.2665776459        -2.368273817        -2.829281637    
H         0.1942494554        -3.073492966        -1.464184852    
O          3.200206510         2.265659387        0.1369865734    
H          2.429662246         2.855679794        0.1939140562    
H          2.972995786         1.633449810       -0.5758738853    
O         0.5732402783        0.6743546991         2.426034634    
H          1.541315683        0.6335593149         2.495736830    
H         0.3710129143        0.3844376643         1.507951043    
O         -3.054206567       -0.8131840145        -2.227262210    
H         -2.828835031        0.5871507175E-01    -1.857990073    
H         -2.263936895        -1.067555908        -2.736708666    
    63
Energy=    -106.840664599830    
O         0.5883841260         1.152538810        -3.532716544    
H         0.1480384909         1.905232060        -3.111437565    
H          1.311432936        0.9111266865        -2.917316591    
O        -0.5407143946         3.077532655         2.136186607    
H         -1.443714576         2.811057052         1.891580533    
H        -0.1040829913         2.237491189         2.399260789    
O        -0.4276712897         3.350657243        -2.072007870    
H        -0.5108742781         4.185639512        -2.532437031    
H         0.1297158388         3.513817832        -1.276591247    
O         0.9282473807         3.878994357        0.1749397550    
H         0.3435404296         3.553059338        0.9298833720    
H          1.158944483         4.780930370        0.3989319044    
O         -3.232017884       -0.4146865178         2.148520592    
H         -2.490180486       -0.7273139719         2.713488160    
H         -3.275529148        -1.029306866         1.398275742    
O         -2.018459639         1.384422309        -1.022772653    
H         -1.571624705         2.135844826        -1.441979953    
H         -2.416786028         1.706713953       -0.1899590012    
O         -1.056820308        -1.219176744         3.501747379    
H        -0.4762813319       -0.4627724239         3.300190945    
H        -0.5716788749        -1.991339027         3.176880429    
O         0.6134114272        -3.143877788         2.327790040    
H          1.448065075        -2.693157265         2.027366280    
H         0.8840679526        -3.988523351         2.686946050    
O        -0.6701075642        -2.664267684        0.1288926030E-01
H         -1.639552201        -2.617357143        0.9898345241E-01
H        -0.3038311805        -2.930219194        0.8774866154    
O          3.001909080        -2.178813378        -1.348380725    
H          2.143396550        -2.534036659        -1.717434885    
H          3.698819635        -2.718692403        -1.719935932    
O          2.206875538        0.4060445913        -1.524403834    
H          2.661627056       -0.4523044482        -1.548171922    
H          1.410571814        0.2449880855       -0.9647638445    
O        -0.7130688860        -1.122796457        -3.651850476    
H        -0.8272115094        -1.293716941        -4.586850619    
H        -0.2512164556       -0.2417499406        -3.590770486    
O         -3.321154210        -2.178711792       -0.1389278629E-01
H         -3.260342559        -1.666542251       -0.8695697357    
H         -4.073443269        -2.763358711       -0.1017812539    
O          3.276141214        0.5927394602         2.142927914    
H          4.002259395        0.8289643747         2.718960705    
H          3.291286431         1.242627873         1.384289986    
O         -2.984324616         2.046787596         1.390288046    
H         -3.823270682         2.449720423         1.612897763    
H         -3.043937239         1.099076404         1.722050611    
O          2.827258374        -2.055603462         1.422114431    
H          2.994859818        -1.132280951         1.673943725    
H          2.881130352        -2.088596058        0.4511328741    
O         0.2661735322E-01   -0.8614160952E-01   -0.8289216306E-01
H        -0.7407664236        0.4019410715       -0.4495716497    
H        -0.2128741046        -1.039614408       -0.9519037129E-01
O         0.7195643090        -3.035967518        -2.283043566    
H         0.2665009339        -2.368190309        -2.829320228    
H         0.1941386986        -3.073488660        -1.464250061    
O          3.200056741         2.265708267        0.1369774568    
H          2.429506368         2.855721167        0.1938783576    
H          2.972882556         1.633486437       -0.5758842114    
O         0.5732235165        0.6743520347         2.426071025    
H          1.541290465        0.6335919960         2.495825100    
H         0.3710446586        0.3843778763         1.507991912    
O         -3.054139668       -0.8130962261        -2.227278996    
H         -2.828698640        0.5876057274E-01    -1.857943535    
H         -2.263922749        -1.067488666        -2.736788599    
    63
Energy=    -106.840664599730    
O         0.5884012433         1.152529048        -3.532727521    
H         0.1480484482         1.905219743        -3.111451310    
H          1.311441143        0.9111150305        -2.917316712    
O        -0.5407175414         3.077536352         2.136185166    
H         -1.443719017         2.811054266         1.891589468    
H        -0.1040746956         2.237499561         2.399253190    
O        -0.4276704645         3.350652137        -2.072006414    
H        -0.5108943682         4.185636251        -2.532429653    
H         0.1297210505         3.513823029        -1.276595359    
O         0.9282432765         3.879011319        0.1749391512    
H         0.3435415957         3.553071641        0.9298847555    
H          1.158949025         4.780944694        0.3989330499    
O         -3.232008018       -0.4146968799         2.148515639    
H         -2.490174712       -0.7273240778         2.713488481    
H         -3.275524009        -1.029319385         1.398273877    
O         -2.018447331         1.384418170        -1.022759555    
H         -1.571607477         2.135840748        -1.441968723    
H         -2.416772746         1.706713162       -0.1899499278    
O         -1.056816268        -1.219170291         3.501761372    
H        -0.4762855385       -0.4627624170         3.300186631    
H        -0.5716754825        -1.991329604         3.176885894    
O         0.6134083258        -3.143874471         2.327783672    
H          1.448065958        -2.693154308         2.027371749    
H         0.8840607668        -3.988520317         2.686944942    
O        -0.6701136270        -2.664277467        0.1287837491E-01
H         -1.639556655        -2.617353886        0.9897627542E-01
H        -0.3038402074        -2.930214395        0.8774812647    
O          3.001897873        -2.178814388        -1.348376336    
H          2.143383045        -2.534032063        -1.717431409    
H          3.698799856        -2.718702284        -1.719935956    
O          2.206877006        0.4060464055        -1.524405328    
H          2.661632757       -0.4522997458        -1.548165268    
H          1.410573886        0.2449838832       -0.9647657100    
O        -0.7130726369        -1.122796654        -3.651857860    
H        -0.8271928619        -1.293733578        -4.586857016    
H        -0.2512125351       -0.2417543676        -3.590780349    
O         -3.321160721        -2.178711181       -0.1390119624E-01
H         -3.260336492        -1.666543239       -0.8695804315    
H         -4.073449879        -2.763355233       -0.1017999679    
O          3.276136685        0.5927513840         2.142934174    
H          4.002275477        0.8289676161         2.718944706    
H          3.291283495         1.242626651         1.384285138    
O         -2.984323053         2.046782078         1.390303175    
H         -3.823271680         2.449708268         1.612915340    
H         -3.043931305         1.099063628         1.722047870    
O          2.827254170        -2.055603385         1.422118700    
H          2.994859439        -1.132280960         1.673945867    
H          2.881117428        -2.088597097        0.4511356132    
O         0.2662280603E-01   -0.8615073837E-01   -0.8289016761E-01
H        -0.7407652222        0.4019354476       -0.4495592563    
H        -0.2128638847        -1.039623577       -0.9518270699E-01
O         0.7195549828        -3.035965844        -2.283048602    
H         0.2664978048        -2.368178609        -2.829319059    
H         0.1941258522        -3.073482651        -1.464254476    
O          3.200045482         2.265715099        0.1369739829    
H          2.429492286         2.855726536        0.1938707773    
H          2.972870090         1.633490320       -0.5758844774    
O         0.5732237493        0.6743590649         2.426077220    
H          1.541291246        0.6335995145         2.495832132    
H         0.3710453071        0.3843697338         1.508002376    
O         -3.054140728       -0.8130875690        -2.227278511    
H         -2.828686233        0.5876359574E-01    -1.857940698    
H         -2.263925061        -1.067486116        -2.736790581    
    63
Energy=    -106.840664597120    
O         0.5884941479         1.152495403        -3.532753369    
H         0.1480993514         1.905175485        -3.111501256    
H          1.311514096        0.9110999500        -2.917309085    
O        -0.5406883322         3.077528158         2.136208871    
H         -1.443699072         2.811059794         1.891636029    
H        -0.1040494045         2.237486797         2.399268298    
O        -0.4276703931         3.350612771        -2.071996769    
H        -0.5109846601         4.185591816        -2.532416201    
H         0.1297601125         3.513821668        -1.276619143    
O         0.9282078244         3.879024142        0.1749390046    
H         0.3435125261         3.553094189        0.9298973834    
H          1.158926156         4.780955644        0.3989202016    
O         -3.232043095       -0.4147272184         2.148499066    
H         -2.490226321       -0.7273668127         2.713488801    
H         -3.275541784        -1.029327445         1.398235536    
O         -2.018396593         1.384405282        -1.022662559    
H         -1.571545433         2.135807926        -1.441894885    
H         -2.416742586         1.706740419       -0.1898762431    
O         -1.056842131        -1.219130994         3.501790361    
H        -0.4763079613       -0.4627322110         3.300187421    
H        -0.5717289271        -1.991295529         3.176888649    
O         0.6134060314        -3.143875701         2.327830061    
H          1.448035217        -2.693138960         2.027369304    
H         0.8841223142        -3.988479151         2.687047174    
O        -0.6700965393        -2.664295063        0.1292028115E-01
H         -1.639539489        -2.617330960        0.9900683502E-01
H        -0.3038290696        -2.930222674        0.8775281699    
O          3.001831054        -2.178817117        -1.348410289    
H          2.143303737        -2.533998771        -1.717465706    
H          3.698712248        -2.718757233        -1.719933064    
O          2.206885703        0.4060384990        -1.524397197    
H          2.661661609       -0.4522997125        -1.548157471    
H          1.410551690        0.2449580167       -0.9648029335    
O        -0.7130765902        -1.122778358        -3.651916690    
H        -0.8271211302        -1.293738240        -4.586920454    
H        -0.2511907558       -0.2417503878        -3.590819196    
O         -3.321104195        -2.178696120       -0.1393696943E-01
H         -3.260246202        -1.666542480       -0.8696224241    
H         -4.073428499        -2.763298576       -0.1018229493    
O          3.276129830        0.5927737178         2.142912878    
H          4.002306083        0.8289714700         2.718886285    
H          3.291218732         1.242666341         1.384274876    
O         -2.984300641         2.046787038         1.390366205    
H         -3.823267083         2.449681681         1.612962178    
H         -3.043901958         1.099051246         1.722057984    
O          2.827222269        -2.055532039         1.422087848    
H          2.994836986        -1.132199327         1.673877256    
H          2.881038614        -2.088546067        0.4511033364    
O         0.2667659667E-01   -0.8620860710E-01   -0.8286481545E-01
H        -0.7407170324        0.4018965778       -0.4494970834    
H        -0.2128202332        -1.039679451       -0.9515487110E-01
O         0.7194800776        -3.035937464        -2.283075117    
H         0.2664121022        -2.368174178        -2.829366124    
H         0.1940694633        -3.073432310        -1.464265597    
O          3.199959585         2.265703592        0.1369550778    
H          2.429411706         2.855721547        0.1938380282    
H          2.972792980         1.633462429       -0.5758950471    
O         0.5732136441        0.6743267775         2.426090021    
H          1.541281907        0.6335662976         2.495874265    
H         0.3710648632        0.3843258876         1.508012831    
O         -3.054062104       -0.8130670149        -2.227299408    
H         -2.828589589        0.5877642973E-01    -1.857952828    
H         -2.263870350        -1.067473220        -2.736845289    
    63
Energy=    -106.840664591900    
O         0.5885380938         1.152500511        -3.532756722    
H         0.1481659527         1.905179661        -3.111481838    
H          1.311568991        0.9110945486        -2.917332246    
O        -0.5406351904         3.077493996         2.136262437    
H         -1.443664823         2.811104380         1.891687421    
H        -0.1040430935         2.237431024         2.399331773    
O        -0.4276141990         3.350498634        -2.072027540    
H        -0.5111149512         4.185489018        -2.532397901    
H         0.1297775931         3.513777048        -1.276640212    
O         0.9281295454         3.879029304        0.1749087439    
H         0.3435080804         3.553049506        0.9299057055    
H          1.158850834         4.780957445        0.3988947093    
O         -3.232073167       -0.4147365931         2.148452357    
H         -2.490262267       -0.7273439702         2.713463695    
H         -3.275505574        -1.029306966         1.398160145    
O         -2.018339241         1.384384953        -1.022548335    
H         -1.571471771         2.135783190        -1.441769991    
H         -2.416706885         1.706708751       -0.1897685146    
O         -1.056925036        -1.219104719         3.501824709    
H        -0.4763859201       -0.4626799517         3.300321929    
H        -0.5717536247        -1.991236218         3.176928077    
O         0.6134143172        -3.143805810         2.327927112    
H          1.448002632        -2.693009516         2.027429176    
H         0.8841888987        -3.988433815         2.687049255    
O        -0.6700310856        -2.664315936        0.1304183921E-01
H         -1.639476208        -2.617361380        0.9907399733E-01
H        -0.3038214391        -2.930292723        0.8776623392    
O          3.001728994        -2.178831534        -1.348449056    
H          2.143192338        -2.533962693        -1.717531933    
H          3.698579389        -2.718894968        -1.719849774    
O          2.206873641        0.4060044939        -1.524424026    
H          2.661650971       -0.4523284387        -1.548181420    
H          1.410567341        0.2449072881       -0.9647929362    
O        -0.7130302288        -1.122732609        -3.652052528    
H        -0.8270640938        -1.293602682        -4.587075352    
H        -0.2511214539       -0.2417166978        -3.590871846    
O         -3.321004115        -2.178674806       -0.1399482028E-01
H         -3.260139648        -1.666544026       -0.8696917462    
H         -4.073363520        -2.763245495       -0.1018300832    
O          3.276087900        0.5928064368         2.142853969    
H          4.002342099        0.8289409125         2.718763758    
H          3.291151155         1.242705628         1.384216974    
O         -2.984286814         2.046779132         1.390454591    
H         -3.823328403         2.449603626         1.612889388    
H         -3.043869483         1.099037064         1.722146366    
O          2.827110722        -2.055414502         1.422022347    
H          2.994764858        -1.132086473         1.673788032    
H          2.880946569        -2.088463793        0.4510412990    
O         0.2675706822E-01   -0.8624536605E-01   -0.8284509240E-01
H        -0.7406506421        0.4018860292       -0.4494142448    
H        -0.2127528068        -1.039718143       -0.9509221623E-01
O         0.7193410684        -3.035919309        -2.283114450    
H         0.2662439282        -2.368205443        -2.829436041    
H         0.1939763159        -3.073358233        -1.464272892    
O          3.199885253         2.265709841        0.1369131353    
H          2.429316282         2.855700826        0.1938129174    
H          2.972696898         1.633422587       -0.5758942295    
O         0.5732427291        0.6742981363         2.426122150    
H          1.541305554        0.6334695085         2.495919239    
H         0.3710956663        0.3842753703         1.508048282    
O         -3.053909446       -0.8130474198        -2.227359364    
H         -2.828407206        0.5875809441E-01    -1.857948472    
H         -2.263738241        -1.067409107        -2.736962566    
    63
Energy=    -106.840664590740    
O         0.5885448238         1.152515678        -3.532764053    
H         0.1481717550         1.905185660        -3.111469593    
H          1.311568814        0.9110889043        -2.917340857    
O        -0.5406198680         3.077487783         2.136264827    
H         -1.443655692         2.811105732         1.891701107    
H        -0.1040425926         2.237419526         2.399339657    
O        -0.4276091241         3.350479333        -2.072038587    
H        -0.5111329081         4.185471512        -2.532400698    
H         0.1297752864         3.513762855        -1.276644364    
O         0.9281095628         3.879022722        0.1749019862    
H         0.3435129416         3.553032010        0.9299137636    
H          1.158831652         4.780951110        0.3988912688    
O         -3.232080424       -0.4147317019         2.148448442    
H         -2.490266527       -0.7273398650         2.713457581    
H         -3.275501031        -1.029289142         1.398144524    
O         -2.018330327         1.384381751        -1.022532560    
H         -1.571464748         2.135782016        -1.441755770    
H         -2.416705048         1.706696853       -0.1897513504    
O         -1.056930699        -1.219111544         3.501831637    
H        -0.4764055796       -0.4626737394         3.300341913    
H        -0.5717493873        -1.991235555         3.176928473    
O         0.6134189907        -3.143791471         2.327957957    
H          1.447994974        -2.692984564         2.027447908    
H         0.8842142425        -3.988426561         2.687058690    
O        -0.6700225697        -2.664330913        0.1305792688E-01
H         -1.639470549        -2.617364100        0.9908012740E-01
H        -0.3038086996        -2.930301864        0.8776778703    
O          3.001711336        -2.178840225        -1.348457238    
H          2.143172214        -2.533958101        -1.717545423    
H          3.698561986        -2.718917535        -1.719836388    
O          2.206880441        0.4059978666        -1.524419772    
H          2.661652015       -0.4523381206        -1.548197189    
H          1.410570311        0.2449038574       -0.9647906013    
O        -0.7130141628        -1.122724704        -3.652077797    
H        -0.8270502166        -1.293570809        -4.587106180    
H        -0.2511034065       -0.2417124832        -3.590881432    
O         -3.320991455        -2.178657151       -0.1399617609E-01
H         -3.260121876        -1.666543128       -0.8697006260    
H         -4.073346715        -2.763237050       -0.1018230298    
O          3.276079124        0.5928142255         2.142844719    
H          4.002342828        0.8289416495         2.718749454    
H          3.291140332         1.242711135         1.384203953    
O         -2.984281113         2.046785660         1.390471929    
H         -3.823339558         2.449599379         1.612874959    
H         -3.043867361         1.099044023         1.722159237    
O          2.827089536        -2.055395941         1.422008419    
H          2.994743477        -1.132068958         1.673777196    
H          2.880926086        -2.088450838        0.4510269808    
O         0.2676755882E-01   -0.8624772467E-01   -0.8284510376E-01
H        -0.7406475974        0.4018810155       -0.4494029365    
H        -0.2127416048        -1.039716766       -0.9507620426E-01
O         0.7193140120        -3.035925194        -2.283125057    
H         0.2662206304        -2.368206179        -2.829449847    
H         0.1939632753        -3.073350108        -1.464277039    
O          3.199872620         2.265712753        0.1369041027    
H          2.429301220         2.855699616        0.1938114381    
H          2.972688204         1.633415135       -0.5758970426    
O         0.5732440950        0.6742847885         2.426136230    
H          1.541306701        0.6334541766         2.495932487    
H         0.3710960085        0.3842649376         1.508062034    
O         -3.053881141       -0.8130455831        -2.227370920    
H         -2.828378975        0.5875489180E-01    -1.857942803    
H         -2.263714993        -1.067403335        -2.736982675    
    63
Energy=    -106.840664589420    
O         0.5885437425         1.152523969        -3.532767084    
H         0.1481787844         1.905188537        -3.111457247    
H          1.311566959        0.9110780275        -2.917345794    
O        -0.5406085826         3.077482673         2.136266721    
H         -1.443648691         2.811099964         1.891709299    
H        -0.1040414027         2.237408796         2.399340433    
O        -0.4276004400         3.350468191        -2.072051307    
H        -0.5111497024         4.185458634        -2.532398604    
H         0.1297827473         3.513753936        -1.276650522    
O         0.9281002769         3.879015269        0.1748977518    
H         0.3435178737         3.553020511        0.9299157746    
H          1.158819843         4.780949964        0.3988931794    
O         -3.232089070       -0.4147301880         2.148449609    
H         -2.490269236       -0.7273410791         2.713453499    
H         -3.275496409        -1.029278856         1.398135308    
O         -2.018326813         1.384382368        -1.022526326    
H         -1.571458226         2.135788572        -1.441747227    
H         -2.416703501         1.706690238       -0.1897422651    
O         -1.056935104        -1.219115378         3.501835684    
H        -0.4764236187       -0.4626679940         3.300361580    
H        -0.5717444455        -1.991229486         3.176921556    
O         0.6134243591        -3.143778173         2.327975873    
H          1.447992289        -2.692965525         2.027457937    
H         0.8842326433        -3.988409663         2.687069439    
O        -0.6700171002        -2.664340348        0.1306119905E-01
H         -1.639468728        -2.617365453        0.9908102576E-01
H        -0.3038005240        -2.930307689        0.8776807420    
O          3.001698874        -2.178843542        -1.348460860    
H          2.143159675        -2.533953294        -1.717553507    
H          3.698552734        -2.718930789        -1.719827056    
O          2.206889658        0.4059953542        -1.524413518    
H          2.661654447       -0.4523457524        -1.548209739    
H          1.410573091        0.2449030533       -0.9647904547    
O        -0.7130044282        -1.122721015        -3.652092512    
H        -0.8270381966        -1.293545195        -4.587130144    
H        -0.2510941666       -0.2417124567        -3.590879468    
O         -3.320990222        -2.178646237       -0.1399315783E-01
H         -3.260116404        -1.666543989       -0.8697052818    
H         -4.073333793        -2.763231010       -0.1018136546    
O          3.276077225        0.5928157626         2.142840470    
H          4.002341266        0.8289403815         2.718734101    
H          3.291132277         1.242712173         1.384194201    
O         -2.984273832         2.046787680         1.390481927    
H         -3.823348308         2.449593265         1.612869541    
H         -3.043866820         1.099047349         1.722165895    
O          2.827078205        -2.055387774         1.422001060    
H          2.994730542        -1.132058358         1.673774710    
H          2.880919065        -2.088443176        0.4510181369    
O         0.2677031572E-01   -0.8624263847E-01   -0.8284372854E-01
H        -0.7406460852        0.4018811285       -0.4494035808    
H        -0.2127368679        -1.039709787       -0.9506994542E-01
O         0.7192985241        -3.035931614        -2.283130279    
H         0.2662077113        -2.368206309        -2.829458677    
H         0.1939571337        -3.073344906        -1.464277405    
O          3.199858783         2.265712018        0.1369008343    
H          2.429288080         2.855697233        0.1938107063    
H          2.972678940         1.633410760       -0.5758992842    
O         0.5732434919        0.6742691946         2.426149472    
H          1.541304919        0.6334435914         2.495940035    
H         0.3710953189        0.3842592792         1.508072606    
O         -3.053864204       -0.8130441892        -2.227375914    
H         -2.828361609        0.5875288775E-01    -1.857938988    
H         -2.263702164        -1.067401293        -2.736997290    
    63
Energy=    -106.840664586300    
O         0.5885338408         1.152519359        -3.532760967    
H         0.1481988391         1.905190127        -3.111408062    
H          1.311551642        0.9110303891        -2.917355805    
O        -0.5405947869         3.077479037         2.136274534    
H         -1.443623690         2.811072385         1.891728229    
H        -0.1040239541         2.237391638         2.399316535    
O        -0.4275692123         3.350431366        -2.072077256    
H        -0.5112032559         4.185430210        -2.532393869    
H         0.1298330812         3.513732933        -1.276695931    
O         0.9281110363         3.879004943        0.1748898719    
H         0.3435219161         3.552997457        0.9298984640    
H          1.158788845         4.780940137        0.3989009091    
O         -3.232090595       -0.4147384239         2.148456466    
H         -2.490262877       -0.7273715234         2.713432978    
H         -3.275468164        -1.029252683         1.398113375    
O         -2.018322569         1.384392831        -1.022520199    
H         -1.571437344         2.135805186        -1.441713173    
H         -2.416687788         1.706685696       -0.1897230653    
O         -1.056944756        -1.219113365         3.501838478    
H        -0.4764444364       -0.4626533069         3.300401142    
H        -0.5717237484        -1.991195602         3.176900345    
O         0.6134288829        -3.143752779         2.327995320    
H          1.447988695        -2.692926963         2.027462601    
H         0.8842666895        -3.988373088         2.687058251    
O        -0.6700171724        -2.664367348        0.1303900965E-01
H         -1.639460866        -2.617380683        0.9909798306E-01
H        -0.3037946226        -2.930312040        0.8776636760    
O          3.001670355        -2.178839027        -1.348456172    
H          2.143132878        -2.533951909        -1.717557001    
H          3.698533665        -2.718934292        -1.719791660    
O          2.206919689        0.4059922932        -1.524396754    
H          2.661657915       -0.4523579794        -1.548239594    
H          1.410590294        0.2448946831       -0.9647968955    
O        -0.7129876455        -1.122716322        -3.652142571    
H        -0.8269949662        -1.293459765        -4.587185995    
H        -0.2510746445       -0.2417094075        -3.590849911    
O         -3.320987623        -2.178607793       -0.1397592068E-01
H         -3.260120742        -1.666544603       -0.8697205052    
H         -4.073305258        -2.763218343       -0.1017826258    
O          3.276068939        0.5928082353         2.142824951    
H          4.002332735        0.8289491401         2.718692584    
H          3.291114662         1.242697774         1.384172402    
O         -2.984259137         2.046787104         1.390502165    
H         -3.823345532         2.449556372         1.612870163    
H         -3.043865801         1.099037357         1.722177225    
O          2.827052451        -2.055382270         1.421994851    
H          2.994670438        -1.132041171         1.673789621    
H          2.880892207        -2.088413025        0.4510126604    
O         0.2675180133E-01   -0.8621684593E-01   -0.8281088965E-01
H        -0.7406586145        0.4018767307       -0.4494331225    
H        -0.2127344858        -1.039686577       -0.9505747481E-01
O         0.7192734091        -3.035936076        -2.283133349    
H         0.2661946962        -2.368211396        -2.829458251    
H         0.1939439617        -3.073339473        -1.464259498    
O          3.199811094         2.265702920        0.1369054039    
H          2.429237626         2.855691045        0.1938020304    
H          2.972641045         1.633414067       -0.5759055625    
O         0.5732368524        0.6742285910         2.426191491    
H          1.541303512        0.6334484815         2.495944778    
H         0.3711057238        0.3842603744         1.508101712    
O         -3.053832490       -0.8130426820        -2.227377204    
H         -2.828320997        0.5875361343E-01    -1.857934448    
H         -2.263690541        -1.067398113        -2.737026992    
    63
Energy=    -106.840664573740    
O         0.5886228282         1.152637177        -3.532803364    
H         0.1482355725         1.905241977        -3.111400325    
H          1.311597833        0.9110835730        -2.917378303    
O        -0.5405217550         3.077385797         2.136367019    
H         -1.443612396         2.811073532         1.891940621    
H        -0.1039506370         2.237302052         2.399408386    
O        -0.4277268668         3.350349196        -2.072019627    
H        -0.5112502182         4.185316629        -2.532410668    
H         0.1297395186         3.513619178        -1.276676589    
O         0.9280236104         3.878878880        0.1749197449    
H         0.3434796118         3.552898687        0.9299781091    
H          1.158616432         4.780882342        0.3988418414    
O         -3.232089841       -0.4146810893         2.148356599    
H         -2.490379002       -0.7273401437         2.713474267    
H         -3.275414954        -1.029161226         1.397991274    
O         -2.018229014         1.384261235        -1.022322157    
H         -1.571429452         2.135676796        -1.441580832    
H         -2.416578443         1.706594985       -0.1895301725    
O         -1.057138296        -1.219016689         3.501978900    
H        -0.4764822734       -0.4626689920         3.300485515    
H        -0.5719776734        -1.991211824         3.177211060    
O         0.6134841724        -3.143612241         2.328243432    
H          1.447964948        -2.692749662         2.027532123    
H         0.8844469673        -3.988352278         2.687066007    
O        -0.6698820128        -2.664404330        0.1321215373E-01
H         -1.639317368        -2.617431422        0.9929565187E-01
H        -0.3036075303        -2.930194955        0.8778606979    
O          3.001507936        -2.178965480        -1.348613531    
H          2.142973033        -2.534127766        -1.717702925    
H          3.698344089        -2.719247715        -1.719671605    
O          2.206884959        0.4059325652        -1.524491331    
H          2.661612075       -0.4524151001        -1.548376576    
H          1.410646352        0.2448392018       -0.9647736823    
O        -0.7128562796        -1.122560798        -3.652435271    
H        -0.8270227297        -1.293160330        -4.587512852    
H        -0.2509113190       -0.2415779452        -3.591116526    
O         -3.320810180        -2.178562787       -0.1405068327E-01
H         -3.259864945        -1.666537386       -0.8698018122    
H         -4.073165088        -2.763137902       -0.1018862582    
O          3.276049203        0.5928657462         2.142766249    
H          4.002424800        0.8289008544         2.718563112    
H          3.291116580         1.242760753         1.384118820    
O         -2.984289367         2.046833174         1.390537008    
H         -3.823479638         2.449600191         1.612573036    
H         -3.043954126         1.099095764         1.722226619    
O          2.826946120        -2.055233142         1.421836200    
H          2.994523404        -1.131910916         1.673598608    
H          2.880649705        -2.088282901        0.4508557640    
O         0.2681828467E-01   -0.8628447029E-01   -0.8269497984E-01
H        -0.7406269138        0.4017455008       -0.4493222650    
H        -0.2126256391        -1.039764309       -0.9487585897E-01
O         0.7190919139        -3.035936955        -2.283123321    
H         0.2660200912        -2.368253636        -2.829515027    
H         0.1937800183        -3.073321407        -1.464265107    
O          3.199795340         2.265735005        0.1368387180    
H          2.429205687         2.855702642        0.1937202584    
H          2.972651873         1.633444449       -0.5759751419    
O         0.5732321400        0.6741535177         2.426292007    
H          1.541299085        0.6334918636         2.496077495    
H         0.3711175740        0.3841779022         1.508189942    
O         -3.053608019       -0.8130418656        -2.227450558    
H         -2.828112558        0.5871968736E-01    -1.857911920    
H         -2.263476121        -1.067295587        -2.737158489    
    63
Energy=    -106.840664473000    
O         0.5889550973         1.153377069        -3.533044589    
H         0.1482477791         1.905708092        -3.111484566    
H          1.311733467        0.9116482631        -2.917453377    
O        -0.5407497587         3.077214978         2.136844945    
H         -1.443861529         2.811142399         1.892291783    
H        -0.1043426185         2.237090818         2.400044179    
O        -0.4285215603         3.350525104        -2.071779953    
H        -0.5111146820         4.185448011        -2.532427159    
H         0.1288155687         3.513532070        -1.276279568    
O         0.9276277037         3.878376092        0.1750938368    
H         0.3433204836         3.552446438        0.9303613025    
H          1.158173313         4.780411812        0.3988318066    
O         -3.232125791       -0.4144240008         2.148328011    
H         -2.490550408       -0.7270613010         2.713623199    
H         -3.275252447        -1.028905871         1.397952674    
O         -2.017917416         1.383625112        -1.021948834    
H         -1.571583604         2.135136227        -1.441530883    
H         -2.416505349         1.706166995       -0.1893366834    
O         -1.057496299        -1.218923723         3.502671786    
H        -0.4767036284       -0.4627141494         3.301139684    
H        -0.5723678525        -1.991262831         3.178192529    
O         0.6134934552        -3.143436106         2.329033655    
H          1.447824895        -2.692431098         2.028130109    
H         0.8846429133        -3.988177180         2.687618239    
O        -0.6693906276        -2.664367064        0.1362588695E-01
H         -1.638854469        -2.617342318        0.9948076084E-01
H        -0.3033326601        -2.930263140        0.8783389571    
O          3.000766592        -2.179773500        -1.349009372    
H          2.142183561        -2.534544366        -1.718304955    
H          3.697371528        -2.720831218        -1.719435866    
O          2.207054563        0.4057076892        -1.524675716    
H          2.661554311       -0.4527401552        -1.548816074    
H          1.410972824        0.2447531443       -0.9646691109    
O        -0.7123988847        -1.122048672        -3.653199482    
H        -0.8267577099        -1.292803626        -4.588208254    
H        -0.2504490892       -0.2410665833        -3.591999342    
O         -3.320199669        -2.178443063       -0.1424878364E-01
H         -3.259150608        -1.666523816       -0.8700697138    
H         -4.072396373        -2.763203704       -0.1022441631    
O          3.276280290        0.5933335740         2.142472126    
H          4.003091738        0.8289198782         2.717912214    
H          3.291300537         1.243250642         1.383869758    
O         -2.984651307         2.047146085         1.390312346    
H         -3.824147891         2.449717296         1.611541739    
H         -3.044235550         1.099478000         1.722189184    
O          2.826378689        -2.054737030         1.421533342    
H          2.994242021        -1.131333991         1.672937654    
H          2.879905373        -2.088204573        0.4505420542    
O         0.2748622496E-01   -0.8645535008E-01   -0.8208345239E-01
H        -0.7400950903        0.4014453056       -0.4485801613    
H        -0.2118944394        -1.039983014       -0.9426657399E-01
O         0.7181500165        -3.036150307        -2.283838965    
H         0.2654005394        -2.368117551        -2.830065745    
H         0.1930419720        -3.073265065        -1.464804272    
O          3.200184141         2.265944586        0.1362136164    
H          2.429442909         2.855690399        0.1931613752    
H          2.973067487         1.633421505       -0.5763899930    
O         0.5733421844        0.6740317477         2.427077114    
H          1.541406427        0.6336086500         2.496866515    
H         0.3713647857        0.3840109318         1.508971995    
O         -3.052948621       -0.8132238612        -2.227829835    
H         -2.827497184        0.5843310403E-01    -1.857995623    
H         -2.262819172        -1.067226187        -2.737673830    
    63
Energy=    -106.840664437630    
O         0.5889450528         1.153577586        -3.532883088    
H         0.1482993678         1.905928092        -3.111299321    
H          1.311785515        0.9118296719        -2.917369156    
O        -0.5410498574         3.077108828         2.137014149    
H         -1.444122429         2.811041052         1.892315513    
H        -0.1047043284         2.236990968         2.400325614    
O        -0.4285440852         3.350768970        -2.071815541    
H        -0.5111009086         4.185742776        -2.532374012    
H         0.1286939220         3.513690071        -1.276221197    
O         0.9275961875         3.878039201        0.1752007459    
H         0.3432329666         3.552140772        0.9304233082    
H          1.158163486         4.780058933        0.3989526146    
O         -3.232054635       -0.4142591833         2.148471414    
H         -2.490483026       -0.7269203531         2.713782462    
H         -3.275114260        -1.028716358         1.398088509    
O         -2.017749262         1.383309359        -1.022020335    
H         -1.571613232         2.134847368        -1.441734606    
H         -2.416568392         1.705855431       -0.1895293334    
O         -1.057588306        -1.218878336         3.502879698    
H        -0.4766863156       -0.4626579524         3.301674706    
H        -0.5724979879        -1.991145906         3.178242869    
O         0.6133616540        -3.143498111         2.329106347    
H          1.447662876        -2.692535948         2.028084167    
H         0.8845969401        -3.987978870         2.688238529    
O        -0.6691458142        -2.664424350        0.1344631344E-01
H         -1.638600396        -2.616980093        0.9929920805E-01
H        -0.3031996592        -2.930582941        0.8781295397    
O          3.000298786        -2.180052531        -1.349057194    
H          2.141690791        -2.534689452        -1.718460969    
H          3.696838063        -2.721298730        -1.719332854    
O          2.207139078        0.4055749620        -1.524793798    
H          2.661622308       -0.4528814575        -1.548970502    
H          1.411161127        0.2446758551       -0.9646249480    
O        -0.7123233066        -1.121784248        -3.653396676    
H        -0.8261146517        -1.292615727        -4.588463071    
H        -0.2505035936       -0.2407418485        -3.591962512    
O         -3.320070416        -2.178396586       -0.1423905492E-01
H         -3.259171730        -1.666554882       -0.8701054668    
H         -4.072002810        -2.763498109       -0.1022095548    
O          3.276405269        0.5935526390         2.142411367    
H          4.003489807        0.8290470301         2.717549359    
H          3.291336641         1.243306188         1.383675131    
O         -2.984899697         2.047107097         1.390109365    
H         -3.824390686         2.449640790         1.611435873    
H         -3.044452764         1.099464658         1.722085936    
O          2.826251680        -2.054619092         1.421548836    
H          2.993931165        -1.131176032         1.672887836    
H          2.879740857        -2.088158631        0.4505532334    
O         0.2777366441E-01   -0.8634996697E-01   -0.8175944159E-01
H        -0.7396838729        0.4015346781       -0.4485436956    
H        -0.2115318307        -1.039878669       -0.9402837929E-01
O         0.7177916297        -3.036251243        -2.284123160    
H         0.2651670155        -2.368078545        -2.830264286    
H         0.1928019659        -3.073326607        -1.464994978    
O          3.200236136         2.265975392        0.1358711878    
H          2.429404756         2.855636476        0.1927684912    
H          2.973279964         1.633494563       -0.5768094642    
O         0.5735517379        0.6741261315         2.427594350    
H          1.541629848        0.6338603401         2.497187464    
H         0.3715467573        0.3841560095         1.509481361    
O         -3.052866076       -0.8133151263        -2.227967242    
H         -2.827301170        0.5830948228E-01    -1.858127555    
H         -2.262780412        -1.067387880        -2.737844624    
    63
Energy=    -106.840664362360    
O         0.5889392706         1.153742123        -3.532641243    
H         0.1483479346         1.906142277        -3.111051453    
H          1.311813795        0.9119034023        -2.917203326    
O        -0.5413079903         3.076994936         2.137023399    
H         -1.444321119         2.810740088         1.892262113    
H        -0.1049014077         2.236990454         2.400536036    
O        -0.4286150721         3.350895616        -2.071866334    
H        -0.5112218036         4.185913339        -2.532360785    
H         0.1286252515         3.513804941        -1.276286724    
O         0.9275171560         3.877782617        0.1752072905    
H         0.3430482923         3.551828031        0.9303149727    
H          1.158140549         4.779780093        0.3990880195    
O         -3.231771426       -0.4142569555         2.148668845    
H         -2.490155491       -0.7268229883         2.713977668    
H         -3.274784679        -1.028683328         1.398233685    
O         -2.017571333         1.383144485        -1.022111466    
H         -1.571656519         2.134776345        -1.441871811    
H         -2.416584796         1.705699356       -0.1897229072    
O         -1.057466121        -1.218973410         3.503138111    
H        -0.4765576392       -0.4626856646         3.302303761    
H        -0.5724805538        -1.991127327         3.178013725    
O         0.6131110696        -3.143511126         2.328934893    
H          1.447411444        -2.692451185         2.028114417    
H         0.8843701884        -3.987770141         2.688513700    
O        -0.6690901830        -2.664425252        0.1312031098E-01
H         -1.638541995        -2.616724159        0.9902864520E-01
H        -0.3032595129        -2.930754754        0.8777711463    
O          2.999879336        -2.180236740        -1.348966435    
H          2.141238134        -2.534861212        -1.718307325    
H          3.696324702        -2.721692490        -1.719097153    
O          2.207217191        0.4054337397        -1.524822008    
H          2.661551229       -0.4530985660        -1.549083430    
H          1.411305893        0.2446002877       -0.9645567994    
O        -0.7122893002        -1.121547713        -3.653604760    
H        -0.8253113487        -1.292369905        -4.588756983    
H        -0.2504912853       -0.2405112874        -3.591904417    
O         -3.319927870        -2.178211254       -0.1414751960E-01
H         -3.259184546        -1.666527105       -0.8701240465    
H         -4.071585291        -2.763658990       -0.1020468832    
O          3.276409206        0.5938069581         2.142276936    
H          4.003725227        0.8292968654         2.717122608    
H          3.291349056         1.243372667         1.383393027    
O         -2.985067975         2.047062573         1.389834159    
H         -3.824495479         2.449535438         1.611443543    
H         -3.044365106         1.099486857         1.722033278    
O          2.826046856        -2.054569571         1.421670558    
H          2.993725481        -1.131088458         1.672978833    
H          2.879455950        -2.088110122        0.4507091435    
O         0.2804190069E-01   -0.8619411538E-01   -0.8129952844E-01
H        -0.7392964292        0.4016764743       -0.4483371678    
H        -0.2111875290        -1.039714950       -0.9387293971E-01
O         0.7175365898        -3.036398903        -2.284427294    
H         0.2650517627        -2.368010503        -2.830466434    
H         0.1925314359        -3.073462224        -1.465347488    
O          3.200293419         2.266059729        0.1355305685    
H          2.429338369         2.855538854        0.1924836476    
H          2.973425966         1.633562199       -0.5771642804    
O         0.5736492758        0.6742213906         2.428090828    
H          1.541767935        0.6342568063         2.497600736    
H         0.3716369179        0.3841727902         1.510019916    
O         -3.052814755       -0.8135429513        -2.228048351    
H         -2.827171240        0.5813867111E-01    -1.858369534    
H         -2.262839884        -1.067609453        -2.738062214    
    63
Energy=    -106.840664241740    
O         0.5889148747         1.154133051        -3.532303465    
H         0.1484913361         1.906544373        -3.110557830    
H          1.311782379        0.9120593067        -2.916928765    
O        -0.5418160157         3.076754712         2.136968298    
H         -1.444676484         2.810040163         1.892096923    
H        -0.1051013726         2.237013549         2.400832854    
O        -0.4287068638         3.351166737        -2.071793203    
H        -0.5112497155         4.186259262        -2.532124623    
H         0.1286789373         3.513794052        -1.276234776    
O         0.9272914125         3.877283988        0.1754441495    
H         0.3425861280         3.551346738        0.9304006240    
H          1.158220846         4.779100444        0.3996605901    
O         -3.231872673       -0.4142548233         2.148760558    
H         -2.490301418       -0.7267212454         2.714163175    
H         -3.274786575        -1.028828972         1.398464542    
O         -2.017078522         1.383040811        -1.022364225    
H         -1.571501430         2.134906095        -1.442082059    
H         -2.416445972         1.705500718       -0.1901233740    
O         -1.057359209        -1.218907345         3.503332072    
H        -0.4764318458       -0.4625695228         3.302741666    
H        -0.5724419615        -1.990920802         3.177728475    
O         0.6128499309        -3.143630190         2.328863009    
H          1.447114406        -2.692457184         2.028071142    
H         0.8843911428        -3.987160627         2.689999682    
O        -0.6689449270        -2.663983199        0.1298053794E-01
H         -1.638415168        -2.616475416        0.9890909408E-01
H        -0.3031316006        -2.930825153        0.8774651734    
O          2.999386154        -2.180591220        -1.348920809    
H          2.140725415        -2.535146216        -1.718311784    
H          3.695790143        -2.722141875        -1.718988327    
O          2.207361657        0.4051790972        -1.525065811    
H          2.661444007       -0.4534814615        -1.549525842    
H          1.411641162        0.2445082896       -0.9644610429    
O        -0.7121461499        -1.121265539        -3.653931657    
H        -0.8243342192        -1.291798666        -4.589242122    
H        -0.2506014500       -0.2401386638        -3.591590263    
O         -3.319513831        -2.178156266       -0.1394355954E-01
H         -3.258992998        -1.666549242       -0.8699753891    
H         -4.070775354        -2.764127937       -0.1017723798    
O          3.276539285        0.5940279287         2.141928918    
H          4.004227213        0.8293729986         2.716343244    
H          3.291360840         1.243482397         1.382912704    
O         -2.985334935         2.046989185         1.389459754    
H         -3.824674272         2.449627155         1.611131677    
H         -3.044709330         1.099474660         1.721785125    
O          2.825647504        -2.054393240         1.421594421    
H          2.993572397        -1.130994486         1.672925133    
H          2.878902364        -2.087887420        0.4505868960    
O         0.2866162475E-01   -0.8598246806E-01   -0.8095521791E-01
H        -0.7387195235        0.4019163878       -0.4478779437    
H        -0.2105699904        -1.039525482       -0.9356096436E-01
O         0.7171448491        -3.036526436        -2.284815705    
H         0.2647224367        -2.368039654        -2.830779141    
H         0.1921273628        -3.073730090        -1.465732323    
O          3.200445858         2.266024753        0.1350817399    
H          2.429217659         2.855150492        0.1923698414    
H          2.973686930         1.633468225       -0.5775837879    
O         0.5737644111        0.6744851298         2.428620340    
H          1.541875888        0.6349705570         2.498197262    
H         0.3719870346        0.3842613157         1.510528989    
O         -3.053013321       -0.8138129259        -2.228225482    
H         -2.827194308        0.5783377469E-01    -1.858591997    
H         -2.263201051        -1.067934975        -2.738475263    
    63
Energy=    -106.840663712040    
O         0.5889255086         1.154494163        -3.531320795    
H         0.1486652794         1.907264354        -3.110155049    
H          1.311539452        0.9123565460        -2.915746931    
O        -0.5435704706         3.076543791         2.136156826    
H         -1.445890633         2.808764219         1.890339240    
H        -0.1061888815         2.237432001         2.400784441    
O        -0.4286819845         3.352101145        -2.071225457    
H        -0.5119336065         4.187540257        -2.530776717    
H         0.1283085077         3.514598621        -1.275359306    
O         0.9271378094         3.876536511        0.1759487359    
H         0.3417997227         3.550808873        0.9305935542    
H          1.159213654         4.777881666        0.4008641122    
O         -3.231552624       -0.4154094932         2.149806922    
H         -2.489297176       -0.7272341046         2.714772211    
H         -3.274555280        -1.030163438         1.399677310    
O         -2.015520733         1.382280331        -1.023069070    
H         -1.569756007         2.134172338        -1.442593019    
H         -2.415618656         1.704787522       -0.1911981047    
O         -1.055960077        -1.217925963         3.503031397    
H        -0.4749625616       -0.4617058495         3.302127843    
H        -0.5713880241        -1.990209716         3.177521198    
O         0.6118155736        -3.143262354         2.329205112    
H          1.446240156        -2.691816712         2.029197904    
H         0.8831161379        -3.986767384         2.690496215    
O        -0.6683125379        -2.662527267        0.1273841582E-01
H         -1.637818236        -2.615549598        0.9818463208E-01
H        -0.3028793918        -2.929488146        0.8773413237    
O          2.998330912        -2.181815756        -1.348436605    
H          2.140353495        -2.536740778        -1.718913581    
H          3.695753511        -2.723010399        -1.717091112    
O          2.207327124        0.4042013916        -1.524405855    
H          2.660901099       -0.4547331264        -1.548808379    
H          1.411719418        0.2441457012       -0.9633439646    
O        -0.7126118559        -1.120863952        -3.654736571    
H        -0.8241626502        -1.290378504        -4.590312457    
H        -0.2508616242       -0.2399736757        -3.591307133    
O         -3.319261309        -2.178628008       -0.1411964417E-01
H         -3.258964733        -1.666776607       -0.8700105089    
H         -4.070353612        -2.764811524       -0.1020113942    
O          3.277253129        0.5942070826         2.140938020    
H          4.006215458        0.8285622973         2.714127410    
H          3.291611021         1.243654731         1.381884911    
O         -2.985298407         2.044914032         1.387930544    
H         -3.824009422         2.448626765         1.609930772    
H         -3.045139561         1.097632278         1.721012044    
O          2.823960687        -2.053400383         1.422170565    
H          2.991825786        -1.129773725         1.672828846    
H          2.876918095        -2.087576179        0.4511879844    
O         0.2921987398E-01   -0.8495195867E-01   -0.7949154852E-01
H        -0.7379997457        0.4027483199       -0.4470982641    
H        -0.2099796824        -1.038497360       -0.9243510443E-01
O         0.7163475173        -3.037018840        -2.285858577    
H         0.2643982055        -2.368512575        -2.832165341    
H         0.1916740720        -3.072920861        -1.466486327    
O          3.200082709         2.265922496        0.1342838163    
H          2.428442211         2.854427624        0.1915340060    
H          2.973521600         1.632908973       -0.5780843836    
O         0.5748320052        0.6757823521         2.429406784    
H          1.542924835        0.6358614927         2.498746248    
H         0.3726892674        0.3856283209         1.511382897    
O         -3.053341460       -0.8135331186        -2.228328749    
H         -2.826478831        0.5771472980E-01    -1.858326692    
H         -2.264202955        -1.067765966        -2.739426118    
    63
Energy=    -106.840662898850    
O         0.5889307346         1.154422511        -3.530555830    
H         0.1491320415         1.907669709        -3.109871480    
H          1.311232353        0.9118465565        -2.914803294    
O        -0.5450024588         3.076275731         2.135406873    
H         -1.447014763         2.807473878         1.889578916    
H        -0.1071737014         2.237970848         2.401663457    
O        -0.4286938801         3.353049805        -2.070509877    
H        -0.5128955682         4.188800313        -2.529310690    
H         0.1286949027         3.515195912        -1.274895193    
O         0.9275892809         3.876575782        0.1767692114    
H         0.3415321094         3.550999457        0.9309310547    
H          1.160414685         4.777599523        0.4021557255    
O         -3.232065901       -0.4166684508         2.149953587    
H         -2.489143434       -0.7272166820         2.714762380    
H         -3.274856154        -1.031767922         1.400079557    
O         -2.014447794         1.382328409        -1.024483429    
H         -1.569014792         2.135030011        -1.443001159    
H         -2.414934264         1.703582125       -0.1923551066    
O         -1.055451146        -1.216282437         3.503100714    
H        -0.4741394962       -0.4604754040         3.301474688    
H        -0.5712454404        -1.988890298         3.177866714    
O         0.6113639845        -3.142292256         2.330273380    
H          1.445810610        -2.691361883         2.029411473    
H         0.8823973284        -3.986079371         2.690960375    
O        -0.6677142244        -2.661632352        0.1296643574E-01
H         -1.637232610        -2.614726452        0.9805498735E-01
H        -0.3024491935        -2.928882890        0.8775403084    
O          2.998231079        -2.183095194        -1.347724737    
H          2.140366948        -2.536995546        -1.719351948    
H          3.695569734        -2.724539783        -1.716186226    
O          2.207003357        0.4033084335        -1.524132641    
H          2.660510347       -0.4557015028        -1.548075799    
H          1.411259264        0.2436796782       -0.9628591708    
O        -0.7130045908        -1.120708688        -3.655313198    
H        -0.8258598402        -1.289531909        -4.590876254    
H        -0.2515750653       -0.2396828758        -3.591695796    
O         -3.319358482        -2.178949838       -0.1475895112E-01
H         -3.259531018        -1.666653361       -0.8704701599    
H         -4.070186240        -2.765440834       -0.1028989388    
O          3.277982274        0.5944085639         2.140734684    
H          4.008801231        0.8269383096         2.712302925    
H          3.292241669         1.243766830         1.381625749    
O         -2.985567663         2.042729957         1.386608210    
H         -3.824364745         2.446126056         1.608813582    
H         -3.044991560         1.095699872         1.720561535    
O          2.822884417        -2.053005908         1.422249880    
H          2.990935801        -1.129311905         1.672520834    
H          2.875421100        -2.087778863        0.4512918890    
O         0.2975063733E-01   -0.8418884372E-01   -0.7836528175E-01
H        -0.7369433521        0.4034518315       -0.4471196495    
H        -0.2092058149        -1.037805419       -0.9113917161E-01
O         0.7160186012        -3.037074797        -2.286508533    
H         0.2639277874        -2.368886492        -2.833080547    
H         0.1918550957        -3.072217092        -1.466783779    
O          3.200013787         2.265893727        0.1336028121    
H          2.428150046         2.854019345        0.1913160125    
H          2.973321281         1.632659171       -0.5784755061    
O         0.5757301961        0.6768126440         2.429416809    
H          1.543764734        0.6371245004         2.498955246    
H         0.3738834024        0.3868503745         1.511272253    
O         -3.053419014       -0.8134927583        -2.227993272    
H         -2.826314971        0.5770092164E-01    -1.857946638    
H         -2.264412537        -1.067895180        -2.739170519    
    63
Energy=    -106.840661893320    
O         0.5881263591         1.154274309        -3.530134343    
H         0.1497474101         1.908111818        -3.108913458    
H          1.310358162        0.9105763706        -2.914624161    
O        -0.5473969668         3.076564246         2.136327115    
H         -1.448370682         2.805886841         1.888638183    
H        -0.1078882321         2.238853833         2.401845593    
O        -0.4272033141         3.354613253        -2.069990876    
H        -0.5141726425         4.191429464        -2.526382458    
H         0.1298954779         3.516299471        -1.274069847    
O         0.9279790217         3.876974592        0.1786106023    
H         0.3410569123         3.551321120        0.9318251715    
H          1.162075209         4.777350435        0.4053897540    
O         -3.234286500       -0.4190977671         2.149752146    
H         -2.490445448       -0.7280676478         2.714247095    
H         -3.276173307        -1.034243866         1.399871495    
O         -2.013215779         1.382753965        -1.025734750    
H         -1.568808959         2.136374196        -1.443642939    
H         -2.414772503         1.702809197       -0.1935569976    
O         -1.056211996        -1.213327873         3.502604963    
H        -0.4748773926       -0.4575603475         3.300906184    
H        -0.5717116465        -1.986243190         3.178435318    
O         0.6110478427        -3.141240647         2.332350266    
H          1.445082347        -2.690552730         2.030092732    
H         0.8829034049        -3.984107432         2.694736502    
O        -0.6667822599        -2.660750008        0.1387854491E-01
H         -1.636432628        -2.613764116        0.9835530442E-01
H        -0.3023168924        -2.928425462        0.8787117171    
O          2.998683087        -2.184033330        -1.348686325    
H          2.140301108        -2.537493215        -1.719577287    
H          3.694999909        -2.727549039        -1.716009475    
O          2.207846615        0.4023358971        -1.524458810    
H          2.660751078       -0.4569278838        -1.548520466    
H          1.412260472        0.2432932448       -0.9630049309    
O        -0.7146667471        -1.120294890        -3.655617601    
H        -0.8295630198        -1.288075505        -4.591107503    
H        -0.2522121564       -0.2398120304        -3.592177681    
O         -3.319096460        -2.180176158       -0.1511374216E-01
H         -3.259292981        -1.667123470       -0.8703846938    
H         -4.069355183        -2.767264337       -0.1042602143    
O          3.279916776        0.5940061160         2.140225818    
H          4.013584365        0.8236447614         2.709296887    
H          3.293482889         1.243854845         1.381450449    
O         -2.986626231         2.039816578         1.384969049    
H         -3.826148288         2.442426435         1.605898850    
H         -3.045991735         1.092504149         1.718578738    
O          2.821966943        -2.052764058         1.421536606    
H          2.991212760        -1.129108745         1.671306419    
H          2.874904671        -2.088218149        0.4506228911    
O         0.3069796772E-01   -0.8343488478E-01   -0.7855045950E-01
H        -0.7357415804        0.4041647900       -0.4480030681    
H        -0.2091348236        -1.036898003       -0.9027518461E-01
O         0.7157364593        -3.036226827        -2.286597987    
H         0.2632314535        -2.368787920        -2.833651673    
H         0.1913820060        -3.071557367        -1.467018174    
O          3.200539552         2.265010659        0.1332704972    
H          2.428853720         2.853438704        0.1919418178    
H          2.973177674         1.632035818       -0.5788410860    
O         0.5772207674        0.6789634798         2.429866235    
H          1.545220339        0.6390535506         2.499864453    
H         0.3756878723        0.3887278326         1.511665064    
O         -3.053648805       -0.8134094954        -2.227574857    
H         -2.826432235        0.5819230152E-01    -1.858640378    
H         -2.264442135        -1.068368277        -2.738441553    
    63
Energy=    -106.840660712930    
O         0.5878228498         1.153832956        -3.529541635    
H         0.1499724029         1.907952063        -3.108536890    
H          1.310181602        0.9097357044        -2.914610527    
O        -0.5481603010         3.077064801         2.135245317    
H         -1.449091344         2.805664164         1.888342339    
H        -0.1081441276         2.240161432         2.402110978    
O        -0.4264085234         3.355587447        -2.070020963    
H        -0.5154757096         4.192964282        -2.524983119    
H         0.1305490738         3.517246645        -1.274071364    
O         0.9282704876         3.877304988        0.1797683776    
H         0.3402686997         3.552019018        0.9324774794    
H          1.162690662         4.777496346        0.4070798829    
O         -3.233910713       -0.4203405344         2.149280281    
H         -2.490295693       -0.7293471114         2.714381749    
H         -3.275964871        -1.035989725         1.399874926    
O         -2.013274508         1.383014267        -1.026396106    
H         -1.568617463         2.136713581        -1.443912382    
H         -2.414879379         1.702692793       -0.1940001073    
O         -1.056218447        -1.211614601         3.502747426    
H        -0.4745498846       -0.4559644021         3.301535175    
H        -0.5719183498        -1.984778755         3.178947471    
O         0.6101035568        -3.140945707         2.332260011    
H          1.444009316        -2.689692749         2.031372574    
H         0.8822088233        -3.984069418         2.693812488    
O        -0.6669906374        -2.660572889        0.1406163878E-01
H         -1.636693682        -2.613654778        0.9816978877E-01
H        -0.3029836187        -2.927979485        0.8790931844    
O          2.998700820        -2.185007471        -1.348200253    
H          2.140064076        -2.537512799        -1.719187525    
H          3.694560664        -2.729368155        -1.715154435    
O          2.208078713        0.4017047781        -1.524586082    
H          2.661190892       -0.4574134988        -1.548711045    
H          1.412859705        0.2429187724       -0.9626057795    
O        -0.7149013212        -1.120608614        -3.655928920    
H        -0.8318143819        -1.287434689        -4.591467271    
H        -0.2529396640       -0.2398819184        -3.592311473    
O         -3.318599529        -2.180948686       -0.1539951264E-01
H         -3.258776637        -1.667076510       -0.8701838321    
H         -4.068961310        -2.767893552       -0.1047949767    
O          3.281011971        0.5939871817         2.139900348    
H          4.016252691        0.8222590699         2.707423386    
H          3.294448553         1.243774890         1.381062478    
O         -2.987103874         2.037592118         1.384081357    
H         -3.826860311         2.439507745         1.604477717    
H         -3.046198723         1.090129541         1.717413725    
O          2.821375444        -2.052681585         1.421612538    
H          2.991101333        -1.128989435         1.671174190    
H          2.874921884        -2.088356775        0.4506194595    
O         0.3050552728E-01   -0.8302447366E-01   -0.7772928501E-01
H        -0.7352671767        0.4046471426       -0.4483400821    
H        -0.2090137821        -1.036502489       -0.9021472865E-01
O         0.7149363598        -3.036170284        -2.287049970    
H         0.2632828971        -2.367874390        -2.833746479    
H         0.1906998958        -3.071024285        -1.467306305    
O          3.200790695         2.264939459        0.1329515017    
H          2.429417058         2.853536320        0.1918213138    
H          2.973080656         1.631665984       -0.5788216355    
O         0.5782797723        0.6802751579         2.430508138    
H          1.546162343        0.6406142737         2.500718122    
H         0.3767693530        0.3898850352         1.512521371    
O         -3.053493025       -0.8132934879        -2.227815131    
H         -2.826275354        0.5857059809E-01    -1.859490546    
H         -2.264275335        -1.068687700        -2.738218888    
    63
Energy=    -106.840659790120    
O         0.5871609299         1.153239300        -3.529395722    
H         0.1499221055         1.907758237        -3.108419734    
H          1.310652421        0.9101301367        -2.915241513    
O        -0.5499147021         3.077105639         2.135815693    
H         -1.450567436         2.805062281         1.888593884    
H        -0.1090584490         2.240605666         2.402477274    
O        -0.4254400321         3.356707625        -2.068909967    
H        -0.5158218682         4.194491896        -2.522856048    
H         0.1319180498         3.518215311        -1.273234251    
O         0.9288743348         3.877704077        0.1809300026    
H         0.3401824873         3.552066083        0.9327109282    
H          1.163455484         4.777512494        0.4093849817    
O         -3.236433224       -0.4222838471         2.148674342    
H         -2.492348078       -0.7296894456         2.713754325    
H         -3.276790274        -1.037875300         1.399004356    
O         -2.013752713         1.383787148        -1.027657324    
H         -1.567630995         2.137330474        -1.443909061    
H         -2.414828374         1.703034632       -0.1948970950    
O         -1.057149553        -1.210530897         3.503180805    
H        -0.4762595826       -0.4543559835         3.302164303    
H        -0.5719812272        -1.983014237         3.178939515    
O         0.6101981228        -3.138494659         2.333581543    
H          1.444456313        -2.688612512         2.030891057    
H         0.8816926018        -3.980601851         2.697995736    
O        -0.6671145998        -2.660149234        0.1444601918E-01
H         -1.636856319        -2.614691691        0.9855591664E-01
H        -0.3028747822        -2.927344400        0.8793964789    
O          2.998637740        -2.185979629        -1.349314511    
H          2.139670927        -2.538219838        -1.719988928    
H          3.694066109        -2.731235194        -1.715776081    
O          2.208925361        0.4016366369        -1.525066440    
H          2.662701178       -0.4570662665        -1.550352533    
H          1.413947594        0.2417519026       -0.9630019311    
O        -0.7160934274        -1.120955779        -3.655938237    
H        -0.8342440333        -1.286655618        -4.591374127    
H        -0.2542797463       -0.2402152605        -3.591851253    
O         -3.318082104        -2.181822002       -0.1551167207E-01
H         -3.258033563        -1.667674330       -0.8702022768    
H         -4.067714785        -2.769521033       -0.1055682875    
O          3.282615745        0.5928735945         2.139697209    
H          4.019600777        0.8198787396         2.705559624    
H          3.295487569         1.242392937         1.380769633    
O         -2.987686320         2.036109475         1.383505776    
H         -3.828333326         2.437959051         1.601598642    
H         -3.047644670         1.088649218         1.716688605    
O          2.822279896        -2.052899397         1.420900196    
H          2.991729426        -1.129195545         1.670462696    
H          2.875928919        -2.088722252        0.4500151910    
O         0.3113393838E-01   -0.8205318043E-01   -0.7839465671E-01
H        -0.7352880208        0.4052120439       -0.4481830458    
H        -0.2083288468        -1.035506689       -0.9050247367E-01
O         0.7144155907        -3.035409155        -2.286280905    
H         0.2629910228        -2.367180147        -2.833251760    
H         0.1899859174        -3.070251541        -1.466693457    
O          3.201241606         2.264867380        0.1330732548    
H          2.429578431         2.853201304        0.1917561444    
H          2.973809849         1.631759431       -0.5789064680    
O         0.5792136437        0.6808100277         2.430770685    
H          1.547065737        0.6406426929         2.501161906    
H         0.3778914515        0.3903079678         1.512804155    
O         -3.053383769       -0.8136710085        -2.227186282    
H         -2.826513978        0.5855237910E-01    -1.859496921    
H         -2.264471375        -1.068720255        -2.738388433    
    63
Energy=    -106.840658891210    
O         0.5868237120         1.153442417        -3.529474447    
H         0.1495599072         1.907890898        -3.108453449    
H          1.310594433        0.9104881011        -2.915661038    
O        -0.5509310341         3.076959968         2.136195773    
H         -1.451525733         2.804559342         1.889101804    
H        -0.1101558595         2.240345095         2.402781430    
O        -0.4244665420         3.357030400        -2.067950480    
H        -0.5156011552         4.195093280        -2.521271733    
H         0.1327934641         3.518501744        -1.272121541    
O         0.9293200000         3.878032922        0.1820870179    
H         0.3402724257         3.551900655        0.9332174487    
H          1.164165168         4.777723248        0.4108655439    
O         -3.238409820       -0.4231618154         2.147991767    
H         -2.494434063       -0.7299090366         2.713548594    
H         -3.277904530        -1.038940708         1.398354047    
O         -2.012901277         1.384292308        -1.027840677    
H         -1.566603564         2.137836163        -1.443860459    
H         -2.414852738         1.703100223       -0.1952925765    
O         -1.058361060        -1.209498249         3.503308846    
H        -0.4777120989       -0.4530271227         3.302779769    
H        -0.5721997331        -1.981462405         3.179173856    
O         0.6108533849        -3.136060797         2.334322445    
H          1.445576926        -2.687825093         2.030121337    
H         0.8813173161        -3.977047335         2.702151172    
O        -0.6667030638        -2.659841098        0.1491543542E-01
H         -1.636525395        -2.615244997        0.9863376696E-01
H        -0.3022499805        -2.926622963        0.8799173486    
O          2.998930244        -2.186022847        -1.350467739    
H          2.139652339        -2.538373424        -1.720380223    
H          3.693532462        -2.732440273        -1.716712026    
O          2.209995728        0.4018227696        -1.525900293    
H          2.663574076       -0.4569374150        -1.551543423    
H          1.414948248        0.2415483505       -0.9640699354    
O        -0.7174584658        -1.120694423        -3.655746025    
H        -0.8352742340        -1.286327872        -4.591250581    
H        -0.2548876372       -0.2404143226        -3.591331221    
O         -3.317969548        -2.183177554       -0.1603439293E-01
H         -3.257988590        -1.668668734       -0.8705090075    
H         -4.067178650        -2.771315428       -0.1067790129    
O          3.283858136        0.5916099883         2.139250409    
H          4.021818264        0.8178783808         2.704117497    
H          3.296193585         1.241587998         1.380728916    
O         -2.988653224         2.035516985         1.383112660    
H         -3.829713315         2.437637909         1.599025536    
H         -3.049321167         1.088219820         1.716508881    
O          2.823534511        -2.053506569         1.420058432    
H          2.992889319        -1.129832849         1.669888384    
H          2.876919641        -2.089103314        0.4491714892    
O         0.3157051404E-01   -0.8177090297E-01   -0.7894050175E-01
H        -0.7349953793        0.4057692426       -0.4483265792    
H        -0.2080832949        -1.035216246       -0.9052900915E-01
O         0.7137953254        -3.035248559        -2.285601000    
H         0.2620938577        -2.367275189        -2.832614100    
H         0.1897590033        -3.069404666        -1.465651473    
O          3.201515748         2.264500702        0.1332140357    
H          2.429727096         2.852911544        0.1922832025    
H          2.974604687         1.631969400       -0.5793117847    
O         0.5795489313        0.6808115040         2.430457926    
H          1.547301322        0.6400173562         2.501344308    
H         0.3782952980        0.3903480589         1.512359538    
O         -3.053930462       -0.8137905343        -2.226752134    
H         -2.826811185        0.5810147208E-01    -1.858720160    
H         -2.265021171        -1.068527901        -2.738382111    
    63
Energy=    -106.840658572060    
O         0.5868083591         1.153600290        -3.529507232    
H         0.1493148069         1.907927661        -3.108484711    
H          1.310532213        0.9105429224        -2.915649476    
O        -0.5511883926         3.076860830         2.136000907    
H         -1.451917652         2.804534877         1.889318150    
H        -0.1105477342         2.240374192         2.403052997    
O        -0.4241073009         3.357073972        -2.067695653    
H        -0.5156574444         4.195200439        -2.520786377    
H         0.1330253375         3.518634688        -1.271802367    
O         0.9294171496         3.878228893        0.1823261830    
H         0.3403419976         3.552007779        0.9333888389    
H          1.164364978         4.777853258        0.4112849746    
O         -3.238670301       -0.4232845301         2.147666124    
H         -2.495040867       -0.7301205271         2.713556639    
H         -3.278055929        -1.039299969         1.398241156    
O         -2.012362029         1.384337596        -1.027839362    
H         -1.566283544         2.138070995        -1.443758716    
H         -2.414907613         1.703228003       -0.1955863578    
O         -1.058590734        -1.209141729         3.503559169    
H        -0.4780132801       -0.4525694131         3.303204431    
H        -0.5722689458        -1.981034706         3.179449355    
O         0.6108924822        -3.135165291         2.334152171    
H          1.445964855        -2.687584861         2.029776521    
H         0.8807176194        -3.976022647         2.702701047    
O        -0.6665196641        -2.659826674        0.1498284068E-01
H         -1.636365221        -2.615460688        0.9849519090E-01
H        -0.3020146764        -2.926304829        0.8800723461    
O          2.999046577        -2.186059361        -1.350755623    
H          2.139531721        -2.538282880        -1.720189063    
H          3.693407078        -2.732898958        -1.716852885    
O          2.210356147        0.4017363362        -1.526198312    
H          2.663907010       -0.4570323852        -1.551810642    
H          1.415245814        0.2416218671       -0.9644632595    
O        -0.7180503457        -1.120532694        -3.655711697    
H        -0.8355361839        -1.286264754        -4.591245388    
H        -0.2549658947       -0.2405560856        -3.591176477    
O         -3.317922765        -2.183675548       -0.1638123613E-01
H         -3.257930279        -1.668947068       -0.8707408507    
H         -4.067114539        -2.771822360       -0.1072238250    
O          3.284379519        0.5912393971         2.138994381    
H          4.022557605        0.8173502127         2.703639374    
H          3.296445297         1.241481860         1.380697032    
O         -2.988931723         2.035119612         1.383013069    
H         -3.830091086         2.437408262         1.598214419    
H         -3.049808672         1.087932278         1.716668181    
O          2.823996868        -2.053783387         1.419916750    
H          2.993163088        -1.130076754         1.669886271    
H          2.877115959        -2.089190839        0.4490100677    
O         0.3153302305E-01   -0.8176335925E-01   -0.7886786917E-01
H        -0.7349608653        0.4059140871       -0.4483092069    
H        -0.2082064473        -1.035183526       -0.9044163725E-01
O         0.7134154874        -3.035282952        -2.285399725    
H         0.2617656297        -2.367333955        -2.832395923    
H         0.1896864280        -3.069013482        -1.465207524    
O          3.201615433         2.264436074        0.1333117328    
H          2.429860869         2.852782016        0.1923839741    
H          2.974837153         1.632176977       -0.5795096842    
O         0.5796671947        0.6809334144         2.430363376    
H          1.547366718        0.6398376216         2.501434161    
H         0.3784405931        0.3903592516         1.512261418    
O         -3.054139307       -0.8138768461        -2.226751121    
H         -2.826870112        0.5785085242E-01    -1.858417719    
H         -2.265170358        -1.068505857        -2.738353846    
    63
Energy=    -106.840658034380    
O         0.5868548197         1.153648964        -3.529516168    
H         0.1492064924         1.907893673        -3.108491235    
H          1.310500477        0.9105463623        -2.915584584    
O        -0.5512623247         3.076857519         2.135806786    
H         -1.452091008         2.804600738         1.889395008    
H        -0.1106780474         2.240501943         2.403206569    
O        -0.4240204070         3.357087345        -2.067643330    
H        -0.5157543215         4.195195294        -2.520679313    
H         0.1330724793         3.518719468        -1.271759307    
O         0.9294183087         3.878353252        0.1822695936    
H         0.3403845601         3.552092355        0.9333790728    
H          1.164408475         4.777919178        0.4113707797    
O         -3.238515047       -0.4232990099         2.147524780    
H         -2.495064808       -0.7302402099         2.713578786    
H         -3.277940752        -1.039424800         1.398223126    
O         -2.012146589         1.384307029        -1.027823961    
H         -1.566200181         2.138173488        -1.443701183    
H         -2.414966414         1.703314138       -0.1957614483    
O         -1.058526209        -1.209066242         3.503690066    
H        -0.4779581246       -0.4524826191         3.303414445    
H        -0.5722373291        -1.980962401         3.179576301    
O         0.6107767898        -3.134884235         2.333941450    
H          1.446038626        -2.687551967         2.029672493    
H         0.8802814905        -3.975890136         2.702355052    
O        -0.6665094159        -2.659873817        0.1496549107E-01
H         -1.636331721        -2.615558818        0.9837090512E-01
H        -0.3020088624        -2.926238944        0.8800742847    
O          2.999026106        -2.186106756        -1.350786895    
H          2.139457813        -2.538227946        -1.719965857    
H          3.693372131        -2.733040414        -1.716769619    
O          2.210457763        0.4016441582        -1.526232104    
H          2.664044501       -0.4571075470        -1.551830457    
H          1.415304043        0.2416561097       -0.9645719924    
O        -0.7182938283        -1.120459514        -3.655719424    
H        -0.8355920056        -1.286281597        -4.591253621    
H        -0.2549420868       -0.2406486883        -3.591146585    
O         -3.317888645        -2.183758865       -0.1651860333E-01
H         -3.257875536        -1.668949684       -0.8708616260    
H         -4.067092930        -2.771876090       -0.1073415954    
O          3.284573514        0.5912029289         2.138873452    
H          4.022755222        0.8173008059         2.703516608    
H          3.296533305         1.241492329         1.380670111    
O         -2.988938489         2.034878173         1.383014730    
H         -3.830130210         2.437214141         1.598039828    
H         -3.049843660         1.087750218         1.716803267    
O          2.824054151        -2.053861454         1.419981038    
H          2.993103451        -1.130132595         1.669995359    
H          2.877076671        -2.089203227        0.4490757961    
O         0.3143477811E-01   -0.8179114203E-01   -0.7871411200E-01
H        -0.7350200504        0.4059006761       -0.4482203002    
H        -0.2083207721        -1.035189337       -0.9038564454E-01
O         0.7132523274        -3.035275403        -2.285340402    
H         0.2617180386        -2.367304041        -2.832337691    
H         0.1896118280        -3.068885365        -1.465094910    
O          3.201611190         2.264485404        0.1333650262    
H          2.429948547         2.852749296        0.1923389319    
H          2.974883468         1.632280188       -0.5795983060    
O         0.5797446263        0.6810625188         2.430371686    
H          1.547417995        0.6398636190         2.501487358    
H         0.3785243288        0.3903925187         1.512316653    
O         -3.054152042       -0.8139523895        -2.226831552    
H         -2.826865799        0.5774059816E-01    -1.858347214    
H         -2.265169597        -1.068541573        -2.738326309    
    63
Energy=    -106.840656526950    
O         0.5860730684         1.153489569        -3.529663114    
H         0.1487905710         1.907928869        -3.108633912    
H          1.310024320        0.9110774213        -2.915804471    
O        -0.5524269795         3.076515203         2.135743912    
H         -1.453303448         2.804669172         1.889445076    
H        -0.1115214154         2.240277599         2.403121746    
O        -0.4229000138         3.356976992        -2.066486121    
H        -0.5155870346         4.195216693        -2.519088738    
H         0.1339308341         3.518691317        -1.270481976    
O         0.9301969419         3.878853642        0.1836776067    
H         0.3406023636         3.552776662        0.9343016951    
H          1.164841590         4.778371236        0.4131159758    
O         -3.239249851       -0.4244758679         2.147159649    
H         -2.495939062       -0.7313041017         2.713513374    
H         -3.278727928        -1.040079402         1.397547745    
O         -2.011495474         1.384364618        -1.027629245    
H         -1.564675643         2.138327950        -1.442714704    
H         -2.414256535         1.703234244       -0.1956602949    
O         -1.059025379        -1.207656515         3.504350053    
H        -0.4790675307       -0.4505301186         3.304511105    
H        -0.5721906880        -1.978646258         3.178884497    
O         0.6109852407        -3.131827161         2.334305238    
H          1.446849122        -2.685453232         2.030576382    
H         0.8797777401        -3.971959569         2.705279005    
O        -0.6661422515        -2.659669433        0.1497019428E-01
H         -1.636116124        -2.615952711        0.9751585155E-01
H        -0.3020946237        -2.925103673        0.8805761607    
O          2.999278853        -2.186456842        -1.351129565    
H          2.138853176        -2.537436284        -1.719486020    
H          3.692658709        -2.734469261        -1.717450344    
O          2.211358098        0.4017617203        -1.527814998    
H          2.664877952       -0.4571784038        -1.552635619    
H          1.416337902        0.2426312821       -0.9659305051    
O        -0.7186219767        -1.120123376        -3.655248217    
H        -0.8356195235        -1.286158466        -4.590757366    
H        -0.2556951763       -0.2399538242        -3.591143073    
O         -3.318216089        -2.186132225       -0.1793444513E-01
H         -3.258700219        -1.670609137       -0.8719118406    
H         -4.067113353        -2.774552084       -0.1095119732    
O          3.285549969        0.5900966463         2.138196029    
H          4.025238988        0.8149317872         2.701453675    
H          3.297344543         1.240464097         1.380056554    
O         -2.990376156         2.034652686         1.382191076    
H         -3.832424057         2.436395303         1.594977263    
H         -3.051439480         1.087686461         1.716260793    
O          2.826073185        -2.055388456         1.419232657    
H          2.994924580        -1.131806044         1.669665887    
H          2.878157934        -2.089667657        0.4481568936    
O         0.3261467557E-01   -0.8204655427E-01   -0.7896263616E-01
H        -0.7334185766        0.4061450757       -0.4481036514    
H        -0.2090186841        -1.034917394       -0.9033757933E-01
O         0.7124472362        -3.034829641        -2.284513455    
H         0.2597886273        -2.367816725        -2.831968617    
H         0.1894449140        -3.068159870        -1.463848327    
O          3.202157382         2.264695235        0.1333632870    
H          2.430288433         2.852399996        0.1932024886    
H          2.975664231         1.632898525       -0.5801354701    
O         0.5796804254        0.6809490810         2.430347726    
H          1.547316465        0.6388214545         2.501464674    
H         0.3784667605        0.3904435132         1.512292287    
O         -3.055065777       -0.8135595226        -2.226277037    
H         -2.826936150        0.5752143007E-01    -1.856594890    
H         -2.266718528        -1.068588069        -2.738088871    
    63
Energy=    -106.840655834950    
O         0.5857935664         1.153536070        -3.529702294    
H         0.1487548725         1.908063833        -3.108655598    
H          1.309963839        0.9112180521        -2.916030134    
O        -0.5526975081         3.076314020         2.136030168    
H         -1.453463282         2.804566242         1.889471747    
H        -0.1117482425         2.240069955         2.402964142    
O        -0.4225480799         3.356968520        -2.066131223    
H        -0.5152874671         4.195262974        -2.518624815    
H         0.1341532633         3.518563707        -1.270067112    
O         0.9304565937         3.878799015        0.1842725473    
H         0.3405596168         3.552810985        0.9347099679    
H          1.165008569         4.778379164        0.4136201698    
O         -3.239985258       -0.4246925891         2.147057095    
H         -2.496550563       -0.7313829195         2.713339437    
H         -3.279278109        -1.040231364         1.397346463    
O         -2.011339173         1.384362171        -1.027570154    
H         -1.564319853         2.138276883        -1.442524485    
H         -2.414006914         1.703110262       -0.1954085147    
O         -1.059452698        -1.207179906         3.504192764    
H        -0.4796178290       -0.4499317470         3.304463207    
H        -0.5723084084        -1.977998794         3.178793396    
O         0.6113188814        -3.131203486         2.334743244    
H          1.447191796        -2.685107909         2.030660446    
H         0.8802143088        -3.970710648         2.707150684    
O        -0.6659937993        -2.659585259        0.1521769527E-01
H         -1.635946707        -2.615959401        0.9762600246E-01
H        -0.3019705211        -2.924818822        0.8808527894    
O          2.999367748        -2.186461689        -1.351473122    
H          2.138871442        -2.537245852        -1.719721867    
H          3.692518452        -2.734672371        -1.717911514    
O          2.211561744        0.4019430511        -1.528314312    
H          2.664994372       -0.4570376468        -1.553000560    
H          1.416657581        0.2427994360       -0.9662662653    
O        -0.7186142148        -1.120051380        -3.655087722    
H        -0.8356557656        -1.286076377        -4.590591717    
H        -0.2559866176       -0.2397423307        -3.591059915    
O         -3.318355458        -2.186857487       -0.1819054904E-01
H         -3.258948076        -1.671127860       -0.8720130989    
H         -4.067069619        -2.775457332       -0.1100607126    
O          3.285733442        0.5897067078         2.138066677    
H          4.025803469        0.8141279592         2.700973703    
H          3.297474375         1.240106085         1.380010509    
O         -2.990909164         2.034808953         1.381963326    
H         -3.833134305         2.436526334         1.594116883    
H         -3.052091598         1.087894911         1.715958716    
O          2.826626058        -2.055733570         1.418805209    
H          2.995596007        -1.132181241         1.669329778    
H          2.878555592        -2.089823512        0.4476810156    
O         0.3309431853E-01   -0.8207978349E-01   -0.7930806799E-01
H        -0.7329342272        0.4062754973       -0.4482779722    
H        -0.2088868008        -1.034882709       -0.9033987855E-01
O         0.7122638043        -3.034762376        -2.284314588    
H         0.2592811327        -2.368007023        -2.831769458    
H         0.1895568307        -3.068015389        -1.463511051    
O          3.202361303         2.264498709        0.1332927153    
H          2.430276539         2.852280910        0.1935644855    
H          2.975884793         1.632987465       -0.5801556499    
O         0.5796303285        0.6807823912         2.430145436    
H          1.547208607        0.6385195889         2.501355240    
H         0.3784898021        0.3904492736         1.512036900    
O         -3.055451512       -0.8133487722        -2.225982134    
H         -2.827016149        0.5756570556E-01    -1.856146353    
H         -2.267144028        -1.068449686        -2.738092241    
    63
Energy=    -106.840652680460    
O         0.5845130568         1.154777500        -3.530326445    
H         0.1481794080         1.909346669        -3.108538994    
H          1.309479505        0.9110716578        -2.918209726    
O        -0.5541978645         3.076009951         2.137277687    
H         -1.454473073         2.804300703         1.888894050    
H        -0.1126751706         2.239170237         2.401895960    
O        -0.4211337017         3.356808570        -2.063720397    
H        -0.5134300200         4.195203255        -2.516145326    
H         0.1363732679         3.518076875        -1.268074898    
O         0.9308007127         3.878729682        0.1875330843    
H         0.3403687136         3.553499485        0.9379020173    
H          1.166089420         4.778323244        0.4162472206    
O         -3.242810046       -0.4250478088         2.145522393    
H         -2.499082351       -0.7315187900         2.711547688    
H         -3.281945989        -1.041561883         1.396704597    
O         -2.009680360         1.383362661        -1.025950960    
H         -1.562830141         2.136893116        -1.441368652    
H         -2.412272076         1.702227599       -0.1936355579    
O         -1.061463981        -1.204107403         3.503532398    
H        -0.4829222041       -0.4458352475         3.303800695    
H        -0.5721913068        -1.974405781         3.179842014    
O         0.6129660364        -3.128216891         2.336579728    
H          1.449081452        -2.684099229         2.029873499    
H         0.8815150441        -3.965009850         2.715557685    
O        -0.6659524442        -2.658032823        0.1751299261E-01
H         -1.636093679        -2.617026628        0.9906633155E-01
H        -0.3017554871        -2.923943815        0.8828015878    
O          2.999263379        -2.186141684        -1.352997632    
H          2.138300652        -2.536252159        -1.721048484    
H          3.691238378        -2.735427799        -1.720005667    
O          2.212484683        0.4031902111        -1.529370030    
H          2.665419605       -0.4558835487        -1.555483507    
H          1.417617188        0.2429467848       -0.9673750027    
O        -0.7194617300        -1.119431061        -3.654183869    
H        -0.8351904837        -1.286067774        -4.589769644    
H        -0.2572437739       -0.2388960299        -3.590149288    
O         -3.319638782        -2.191325035       -0.1993129329E-01
H         -3.260317622        -1.674269191       -0.8728588327    
H         -4.067058975        -2.781395271       -0.1131275077    
O          3.285863998        0.5880656510         2.137712878    
H          4.028745128        0.8095110982         2.698073081    
H          3.298049099         1.238130405         1.379294842    
O         -2.994136766         2.035383366         1.380786238    
H         -3.837574562         2.436567674         1.589414812    
H         -3.055694965         1.088534453         1.714468855    
O          2.829279567        -2.057416938         1.417134927    
H          2.999652961        -1.134017108         1.667757308    
H          2.879711879        -2.091581491        0.4459282732    
O         0.3556920041E-01   -0.8169501636E-01   -0.8027991496E-01
H        -0.7301877835        0.4068926288       -0.4499857702    
H        -0.2058091467        -1.034755518       -0.9005891117E-01
O         0.7120329557        -3.034065611        -2.283549325    
H         0.2567104236        -2.368802472        -2.830740181    
H         0.1909252694        -3.067824183        -1.461719266    
O          3.203351246         2.263835545        0.1335947487    
H          2.431194625         2.851198036        0.1951311436    
H          2.976699186         1.633686547       -0.5811348435    
O         0.5800292445        0.6812619630         2.428343725    
H          1.547451224        0.6376647570         2.500254288    
H         0.3790928609        0.3898811532         1.510381213    
O         -3.057456468       -0.8114535713        -2.224823746    
H         -2.826871624        0.5865870328E-01    -1.854289284    
H         -2.269985688        -1.066944970        -2.738005525    
    63
Energy=    -106.840650389500    
O         0.5839893220         1.155042730        -3.530850939    
H         0.1484294916         1.909893395        -3.108087130    
H          1.309019048        0.9112290395        -2.918994774    
O        -0.5554569033         3.076100547         2.136830474    
H         -1.455557333         2.804667147         1.888759039    
H        -0.1135332661         2.239393695         2.401324125    
O        -0.4203616001         3.356409732        -2.062098100    
H        -0.5127590650         4.194523195        -2.514886778    
H         0.1373628221         3.517962347        -1.266747634    
O         0.9313634952         3.879363835        0.1886582930    
H         0.3404679441         3.554425435        0.9388716623    
H          1.166745889         4.778833304        0.4175388646    
O         -3.241570395       -0.4257401959         2.143471355    
H         -2.497955218       -0.7305922335         2.710354674    
H         -3.281495327        -1.043558934         1.395950207    
O         -2.007709437         1.382087321        -1.024131552    
H         -1.561834162         2.135973525        -1.439899503    
H         -2.411245067         1.701262238       -0.1922447162    
O         -1.061489350        -1.201899162         3.504144149    
H        -0.4831083526       -0.4436486356         3.304103557    
H        -0.5723007564        -1.972045890         3.180138321    
O         0.6128766375        -3.125973708         2.336958665    
H          1.449497993        -2.683258024         2.029757640    
H         0.8806530048        -3.962794559         2.716119975    
O        -0.6668752032        -2.657511371        0.1803625498E-01
H         -1.637171645        -2.617217620        0.9917995833E-01
H        -0.3030582941        -2.923166029        0.8835975484    
O          2.998328770        -2.185692339        -1.353179288    
H          2.137307224        -2.535529768        -1.720796368    
H          3.690225693        -2.735543579        -1.719382132    
O          2.212256619        0.4039462183        -1.530060569    
H          2.665762399       -0.4549187108        -1.556363757    
H          1.417972561        0.2436602314       -0.9672685665    
O        -0.7204621471        -1.119127295        -3.653733699    
H        -0.8337929113        -1.286905338        -4.589393660    
H        -0.2581208480       -0.2387821656        -3.589650593    
O         -3.321071144        -2.193836517       -0.2108868954E-01
H         -3.261860041        -1.675532961       -0.8732501346    
H         -4.067316607        -2.785154175       -0.1158649612    
O          3.286158930        0.5868121939         2.136383045    
H          4.029941189        0.8071288408         2.695993011    
H          3.298127263         1.237235329         1.378359376    
O         -2.995647519         2.035088710         1.380323758    
H         -3.840338112         2.434621738         1.586850182    
H         -3.056661772         1.088098596         1.713656654    
O          2.830958801        -2.058754448         1.417531695    
H          3.001127321        -1.135179969         1.667477159    
H          2.880523551        -2.093183951        0.4463170838    
O         0.3734092843E-01   -0.8183609065E-01   -0.8005309615E-01
H        -0.7286247756        0.4061518378       -0.4499446368    
H        -0.2039010861        -1.034725078       -0.9019778617E-01
O         0.7112160680        -3.033981495        -2.283161113    
H         0.2560647175        -2.367836488        -2.829924422    
H         0.1904018361        -3.068140196        -1.461275440    
O          3.203713888         2.263715076        0.1334025617    
H          2.432029326         2.851435952        0.1955260644    
H          2.976536397         1.633945998       -0.5815947328    
O         0.5805946116        0.6821858289         2.427891040    
H          1.547808993        0.6387264589         2.499781775    
H         0.3797245719        0.3900463005         1.510157838    
O         -3.058304394       -0.8101778864        -2.224369609    
H         -2.827054345        0.5890165549E-01    -1.853047041    
H         -2.271379129        -1.065866035        -2.738395099    
    63
Energy=    -106.840648982340    
O         0.5836042799         1.155305792        -3.531024970    
H         0.1488582093         1.910093350        -3.107873497    
H          1.308805906        0.9114114524        -2.919350976    
O        -0.5560100589         3.076164088         2.136648003    
H         -1.456286109         2.804743157         1.888750200    
H        -0.1140773026         2.239379019         2.400982988    
O        -0.4198364988         3.356089402        -2.061232615    
H        -0.5123608523         4.194181099        -2.514155895    
H         0.1378137175         3.517858896        -1.265826048    
O         0.9318585986         3.879699027        0.1894157241    
H         0.3405040812         3.554931269        0.9392437230    
H          1.167163016         4.779178155        0.4182246867    
O         -3.241040673       -0.4260817158         2.142126881    
H         -2.497269645       -0.7297545870         2.709727736    
H         -3.281172576        -1.044977624         1.395410009    
O         -2.006509805         1.381363156        -1.022874578    
H         -1.561230526         2.135578243        -1.439079706    
H         -2.410590804         1.700526119       -0.1914966422    
O         -1.061565150        -1.200541058         3.504712491    
H        -0.4831597209       -0.4423771590         3.304240772    
H        -0.5725377919        -1.970638124         3.180333975    
O         0.6128438932        -3.124785047         2.337251600    
H          1.449714781        -2.682746093         2.029604059    
H         0.8803563097        -3.961585424         2.716555294    
O        -0.6674248408        -2.657356475        0.1822521155E-01
H         -1.637696109        -2.617115704        0.9929344314E-01
H        -0.3037947641        -2.922490160        0.8840175680    
O          2.997872150        -2.185259947        -1.353266904    
H          2.136714162        -2.535184223        -1.720827232    
H          3.689722171        -2.735602922        -1.718940406    
O          2.211980536        0.4044023242        -1.530772628    
H          2.665871964       -0.4542327307        -1.556783467    
H          1.418246693        0.2441515924       -0.9670338521    
O        -0.7210966201        -1.119099142        -3.653500818    
H        -0.8329640132        -1.287391286        -4.589255321    
H        -0.2586966656       -0.2387587937        -3.589320542    
O         -3.322010926        -2.195310992       -0.2169627578E-01
H         -3.262860477        -1.676224751       -0.8732794454    
H         -4.067550273        -2.787365047       -0.1175675594    
O          3.286523962        0.5857929240         2.135426055    
H          4.030591681        0.8057266775         2.694799395    
H          3.298045739         1.236853925         1.377882344    
O         -2.996544274         2.034960514         1.380110256    
H         -3.841957984         2.433503580         1.585338780    
H         -3.057220573         1.087821024         1.713145335    
O          2.832156385        -2.059566888         1.417817280    
H          3.001932333        -1.135761214         1.667227816    
H          2.881183247        -2.094096584        0.4465555059    
O         0.3853123495E-01   -0.8189689114E-01   -0.8005787278E-01
H        -0.7278121670        0.4056903510       -0.4498977567    
H        -0.2027982129        -1.034767417       -0.9033498633E-01
O         0.7105071464        -3.034124441        -2.283079310    
H         0.2559025896        -2.367214853        -2.829253815    
H         0.1899391114        -3.068262927        -1.461023200    
O          3.203937823         2.263577150        0.1331894400    
H          2.432451397         2.851686702        0.1957901745    
H          2.976351992         1.633919486       -0.5817462294    
O         0.5806401396        0.6826482862         2.427678188    
H          1.548094131        0.6394816693         2.499533491    
H         0.3800963368        0.3902343099         1.509969941    
O         -3.058851693       -0.8098842752        -2.224261856    
H         -2.827206034        0.5932474282E-01    -1.852160862    
H         -2.272171473        -1.065065387        -2.738743618    
    63
Energy=    -106.840645325690    
O         0.5831578185         1.155807424        -3.531163389    
H         0.1493328853         1.910600254        -3.107535980    
H          1.309092507        0.9119506881        -2.919955812    
O        -0.5560375317         3.075751127         2.137546654    
H         -1.456767537         2.804204439         1.889169639    
H        -0.1148308547         2.238762971         2.400691509    
O        -0.4189387838         3.355898097        -2.060599945    
H        -0.5110051935         4.194189807        -2.513242917    
H         0.1379039843         3.517354456        -1.264488731    
O         0.9326605756         3.879178180        0.1908373909    
H         0.3402540819         3.554559362        0.9397322739    
H          1.167768420         4.778987626        0.4191563884    
O         -3.243172769       -0.4258162107         2.140490978    
H         -2.498946358       -0.7283217523         2.708440420    
H         -3.282616082        -1.045885355         1.394497278    
O         -2.005226637         1.380941552        -1.022322508    
H         -1.560964624         2.135418297        -1.438640816    
H         -2.410238667         1.699772290       -0.1905958344    
O         -1.062570595        -1.199180198         3.503879855    
H        -0.4840114435       -0.4411004972         3.302716916    
H        -0.5730590490        -1.969573930         3.180809492    
O         0.6139071928        -3.124624867         2.338860764    
H          1.450339575        -2.683201304         2.029059633    
H         0.8824482843        -3.959529482         2.721737388    
O        -0.6672507332        -2.657874951        0.1916840024E-01
H         -1.637127217        -2.616287855        0.1007315888    
H        -0.3035932226        -2.921716773        0.8850734336    
O          2.998011733        -2.184433192        -1.354572529    
H          2.136838088        -2.534989083        -1.722223798    
H          3.689966587        -2.734921857        -1.719909483    
O          2.211977319        0.4048866397        -1.532585130    
H          2.665931747       -0.4530228833        -1.557674687    
H          1.419047674        0.2443544669       -0.9671746904    
O        -0.7216158317        -1.119192486        -3.653117444    
H        -0.8327330674        -1.287563946        -4.588955456    
H        -0.2595176804       -0.2388349484        -3.588701231    
O         -3.322733226        -2.196546048       -0.2156589010E-01
H         -3.263712897        -1.676582160       -0.8725469578    
H         -4.067234464        -2.789735893       -0.1187886012    
O          3.287245334        0.5839635441         2.134472234    
H          4.030856380        0.8040840352         2.694398927    
H          3.297540576         1.236520529         1.378187082    
O         -2.997613234         2.035357005         1.380133102    
H         -3.843438990         2.434060210         1.583781325    
H         -3.058714173         1.088218911         1.712622785    
O          2.833253416        -2.060095813         1.416907932    
H          3.002537269        -1.135931648         1.665974460    
H          2.882051988        -2.094545153        0.4456611400    
O         0.3988785661E-01   -0.8226274283E-01   -0.8109764997E-01
H        -0.7272832860        0.4053010289       -0.4502005530    
H        -0.2015482165        -1.035245283       -0.9046706925E-01
O         0.7094077037        -3.034754306        -2.283367444    
H         0.2559479594        -2.366655477        -2.828018005    
H         0.1896398952        -3.068105507        -1.460457818    
O          3.204063366         2.263145877        0.1331182098    
H          2.432711138         2.851369193        0.1965633313    
H          2.976269473         1.633308125       -0.5816338078    
O         0.5804310215        0.6827488504         2.426957289    
H          1.547890089        0.6400260398         2.499260405    
H         0.3809059354        0.3906933526         1.508579952    
O         -3.059324902       -0.8095095325        -2.223653047    
H         -2.827994382        0.5928727546E-01    -1.851444486    
H         -2.272945123        -1.063902918        -2.739006986    
    63
Energy=    -106.840637221250    
O         0.5820265361         1.155779620        -3.531029585    
H         0.1486648297         1.911081144        -3.107088846    
H          1.309498677        0.9124205095        -2.921836786    
O        -0.5593333550         3.076469140         2.135602139    
H         -1.460768917         2.805755808         1.890519703    
H        -0.1173170426         2.240134426         2.400603179    
O        -0.4176533511         3.354887451        -2.056711786    
H        -0.5078207609         4.192693386        -2.510684030    
H         0.1389828072         3.516559839        -1.260587355    
O         0.9349492264         3.880257725        0.1924030955    
H         0.3410926006         3.554921503        0.9397915572    
H          1.169228231         4.779516943        0.4228369207    
O         -3.241473780       -0.4273077083         2.135305716    
H         -2.495776481       -0.7276674337         2.702333318    
H         -3.281975441        -1.048833862         1.390856581    
O         -2.003186873         1.379019392        -1.018939975    
H         -1.558074921         2.134154362        -1.434047794    
H         -2.408267574         1.697639708       -0.1878384268    
O         -1.061513938        -1.194153591         3.500460492    
H        -0.4818886555       -0.4366526171         3.300473842    
H        -0.5711057810        -1.965314552         3.180583629    
O         0.6145742428        -3.121896908         2.342397173    
H          1.451367140        -2.681329151         2.032467867    
H         0.8823996089        -3.956926293         2.725589816    
O        -0.6693847388        -2.658675237        0.2148445469E-01
H         -1.639714963        -2.614096559        0.1005474444    
H        -0.3071784597        -2.922025241        0.8883780635    
O          2.995852856        -2.182476497        -1.355132297    
H          2.135216366        -2.534438561        -1.722033052    
H          3.688837998        -2.732439339        -1.719027033    
O          2.214428021        0.4076647846        -1.534091337    
H          2.668013268       -0.4509337801        -1.560386580    
H          1.420399189        0.2471245845       -0.9706180812    
O        -0.7226343184        -1.118200511        -3.651510626    
H        -0.8291090481        -1.290804174        -4.587087545    
H        -0.2617374010       -0.2370059449        -3.588094823    
O         -3.326005685        -2.199220842       -0.2327141386E-01
H         -3.267953482        -1.676884253       -0.8728657548    
H         -4.065477235        -2.798017107       -0.1247794590    
O          3.286512414        0.5819188471         2.131768426    
H          4.031442567        0.7996108674         2.690786412    
H          3.298752022         1.233977661         1.374950368    
O         -3.000043111         2.035379927         1.379513663    
H         -3.848693009         2.430079579         1.578437281    
H         -3.059793475         1.087378897         1.710254857    
O          2.834139310        -2.063320325         1.416470104    
H          3.001171424        -1.139017880         1.665687338    
H          2.882818960        -2.097435469        0.4451020432    
O         0.4322907298E-01   -0.8601607341E-01   -0.8028356749E-01
H        -0.7235526121        0.4027723426       -0.4473655127    
H        -0.1989648409        -1.038764188       -0.9068464585E-01
O         0.7078619580        -3.032625248        -2.281882216    
H         0.2548820128        -2.363089270        -2.826348544    
H         0.1848240638        -3.070397128        -1.461621446    
O          3.203994846         2.262321357        0.1337313694    
H          2.433812430         2.852083945        0.1965024938    
H          2.974894582         1.634056965       -0.5820572925    
O         0.5824675844        0.6866946886         2.425657938    
H          1.549838042        0.6434458338         2.499812498    
H         0.3836375656        0.3930320340         1.507783931    
O         -3.061921810       -0.8085469960        -2.222083295    
H         -2.829099433        0.5901833340E-01    -1.847298070    
H         -2.275878856        -1.062581263        -2.738297055    
    63
Energy=    -106.840632857720    
O         0.5817743472         1.156801277        -3.531920373    
H         0.1474021373         1.910285660        -3.106269460    
H          1.309166095        0.9132745061        -2.922638610    
O        -0.5618832193         3.079911437         2.135340831    
H         -1.462754772         2.807679197         1.890880414    
H        -0.1197129107         2.243524327         2.400295130    
O        -0.4172997814         3.354602621        -2.054741470    
H        -0.5051298668         4.192115703        -2.509788284    
H         0.1402296737         3.516476506        -1.259229457    
O         0.9350199138         3.880506107        0.1936716189    
H         0.3407263803         3.554941214        0.9405273517    
H          1.170791817         4.779598211        0.4246564228    
O         -3.240974230       -0.4285699007         2.132523849    
H         -2.494647367       -0.7288774330         2.698379046    
H         -3.282385781        -1.048972707         1.387161961    
O         -2.001558400         1.377215169        -1.016887600    
H         -1.555798405         2.131666647        -1.431683150    
H         -2.407573853         1.696741643       -0.1862238506    
O         -1.059527043        -1.189800110         3.497912924    
H        -0.4780237382       -0.4341819200         3.295915329    
H        -0.5710425666        -1.963973768         3.182621628    
O         0.6137852924        -3.123600030         2.343136695    
H          1.450883097        -2.684292362         2.031409658    
H         0.8804803110        -3.959140314         2.725465387    
O        -0.6702914691        -2.660431920        0.2374564075E-01
H         -1.640619267        -2.614926309        0.1039419392    
H        -0.3087056116        -2.922764015        0.8909973307    
O          2.995174729        -2.181005987        -1.354638473    
H          2.134004112        -2.533167553        -1.720299792    
H          3.688682695        -2.729719189        -1.719811438    
O          2.215184929        0.4086429613        -1.535543748    
H          2.668899550       -0.4499206334        -1.561492305    
H          1.421297244        0.2458015057       -0.9727190082    
O        -0.7237354699        -1.116868618        -3.649742803    
H        -0.8274821204        -1.291972974        -4.585240096    
H        -0.2624355006       -0.2356892015        -3.588313820    
O         -3.325493018        -2.200908078       -0.2551437324E-01
H         -3.268051276        -1.677073147       -0.8745653460    
H         -4.062883192        -2.801857125       -0.1280853862    
O          3.286245572        0.5818542771         2.131740134    
H          4.031903907        0.7981510799         2.690272713    
H          3.299832702         1.232377387         1.373619582    
O         -3.001582145         2.034564000         1.379216126    
H         -3.851145513         2.428705510         1.576140675    
H         -3.060723516         1.086237238         1.709315991    
O          2.832800494        -2.064971780         1.415690518    
H          2.997807215        -1.140267379         1.665976405    
H          2.879830139        -2.097142995        0.4441231270    
O         0.4609112160E-01   -0.8879067286E-01   -0.8046753964E-01
H        -0.7227162011        0.3992247812       -0.4451685571    
H        -0.1970697002        -1.041402621       -0.8779563824E-01
O         0.7057971869        -3.030910749        -2.280720633    
H         0.2521692956        -2.361365808        -2.824112508    
H         0.1837011899        -3.070676020        -1.460180599    
O          3.204563666         2.263268641        0.1325981873    
H          2.434023773         2.852472429        0.1972850346    
H          2.975607833         1.634388702       -0.5827387461    
O         0.5848809132        0.6916803926         2.423951232    
H          1.552005951        0.6468348258         2.498507092    
H         0.3880102648        0.3952243607         1.506916288    
O         -3.063858716       -0.8073392153        -2.221665920    
H         -2.829315549        0.5928218114E-01    -1.845503913    
H         -2.277842245        -1.062712363        -2.736723884    
    63
Energy=    -106.840630326510    
O         0.5817679444         1.157375026        -3.532389663    
H         0.1462200250         1.909989881        -3.105799340    
H          1.309134784        0.9136525474        -2.923311689    
O        -0.5632171584         3.081508186         2.135690776    
H         -1.463990139         2.808865396         1.890387010    
H        -0.1205350671         2.245535367         2.399942906    
O        -0.4169622687         3.354384552        -2.053876776    
H        -0.5040825322         4.191568698        -2.509530755    
H         0.1408345929         3.516413948        -1.258695163    
O         0.9353955365         3.880676440        0.1944325540    
H         0.3403240128         3.555261930        0.9406704577    
H          1.171280695         4.779564268        0.4257328018    
O         -3.240265110       -0.4287378362         2.131496093    
H         -2.493365111       -0.7300332202         2.696044175    
H         -3.282874928        -1.048475924         1.385555776    
O         -2.000655235         1.376299300        -1.015564906    
H         -1.554937786         2.130606012        -1.430863479    
H         -2.407627613         1.696487095       -0.1856105233    
O         -1.057861149        -1.188797277         3.496064228    
H        -0.4768519945       -0.4330311144         3.293373231    
H        -0.5686329013        -1.962932797         3.181841535    
O         0.6131639920        -3.123957077         2.344669575    
H          1.450275243        -2.685461175         2.032472088    
H         0.8798357813        -3.960337975         2.725883996    
O        -0.6712791897        -2.661736721        0.2489020649E-01
H         -1.641393392        -2.615542145        0.1047913667    
H        -0.3102319062        -2.924251655        0.8922609633    
O          2.994987763        -2.180419627        -1.353879530    
H          2.133596974        -2.532235735        -1.719334799    
H          3.687980614        -2.728814821        -1.720717319    
O          2.215084968        0.4088909216        -1.536774898    
H          2.669957775       -0.4495582844        -1.562101878    
H          1.421967431        0.2453929750       -0.9736119752    
O        -0.7241441617        -1.116186564        -3.648898068    
H        -0.8266858011        -1.292840395        -4.584165977    
H        -0.2626960442       -0.2349949789        -3.588161533    
O         -3.325248727        -2.201343090       -0.2661116260E-01
H         -3.268490797        -1.677337144       -0.8756883266    
H         -4.061311674        -2.803753143       -0.1293090329    
O          3.286742967        0.5811721117         2.131354795    
H          4.032166589        0.7978669634         2.690008127    
H          3.299855703         1.231902983         1.373340429    
O         -3.002242709         2.034232678         1.379152523    
H         -3.852380109         2.427718260         1.574988190    
H         -3.060898159         1.085717896         1.709184049    
O          2.831393640        -2.065498796         1.415539878    
H          2.996106261        -1.140903789         1.666053020    
H          2.877583469        -2.097126845        0.4440517541    
O         0.4688449750E-01   -0.8977106807E-01   -0.8025161955E-01
H        -0.7221376699        0.3979551844       -0.4444521038    
H        -0.1960253532        -1.042559692       -0.8658784988E-01
O         0.7052822996        -3.030355939        -2.280805180    
H         0.2509066405        -2.360234868        -2.823085915    
H         0.1832856816        -3.070550621        -1.459773009    
O          3.205175010         2.263693512        0.1323266917    
H          2.434251053         2.852339025        0.1977009896    
H          2.976139844         1.635185330       -0.5832146560    
O         0.5860008367        0.6935096755         2.423531678    
H          1.553150152        0.6486683373         2.498387607    
H         0.3892971464        0.3961838538         1.506532220    
O         -3.064732702       -0.8066749677        -2.221151896    
H         -2.829061304        0.5962462136E-01    -1.844834880    
H         -2.278700128        -1.063030091        -2.735788307    
    63
Energy=    -106.840622591340    
O         0.5813546962         1.158291547        -3.532933075    
H         0.1447685407         1.909307074        -3.105420339    
H          1.309370868        0.9140944333        -2.924138696    
O        -0.5651283611         3.082669799         2.136105585    
H         -1.465446274         2.810488794         1.889668942    
H        -0.1207859745         2.247266688         2.399580541    
O        -0.4164077324         3.354095648        -2.052884481    
H        -0.5029655787         4.190920613        -2.509363580    
H         0.1415011015         3.516213564        -1.257833444    
O         0.9365220106         3.880491813        0.1955115273    
H         0.3396888649         3.555876358        0.9407723450    
H          1.171318696         4.779168145        0.4274970316    
O         -3.239533387       -0.4289160991         2.130583864    
H         -2.491509855       -0.7318498599         2.693650286    
H         -3.283841438        -1.047281482         1.383924867    
O         -1.999476475         1.375401717        -1.013741610    
H         -1.554267065         2.129429693        -1.429946180    
H         -2.408121370         1.696632470       -0.1849096081    
O         -1.056339530        -1.188599570         3.493221597    
H        -0.4758294631       -0.4322794832         3.290768632    
H        -0.5656579214        -1.961512090         3.178128648    
O         0.6130189938        -3.123243307         2.348479204    
H          1.449745520        -2.685466430         2.034484669    
H         0.8799700424        -3.959413168         2.729388306    
O        -0.6729277398        -2.663023868        0.2597502666E-01
H         -1.643371021        -2.615941532        0.1048073261    
H        -0.3121379046        -2.926418406        0.8932154364    
O          2.994961635        -2.180005465        -1.353203344    
H          2.133427398        -2.530959346        -1.718224733    
H          3.686713246        -2.727856255        -1.722195731    
O          2.215392882        0.4083326937        -1.538703142    
H          2.671718783       -0.4487439774        -1.563260748    
H          1.422351257        0.2455428398       -0.9745949452    
O        -0.7245970762        -1.115153289        -3.647943287    
H        -0.8256593275        -1.294274570        -4.582869727    
H        -0.2628996004       -0.2340131085        -3.587784142    
O         -3.324835431        -2.201376559       -0.2742818805E-01
H         -3.269216716        -1.677881668       -0.8769174434    
H         -4.059250727        -2.806113716       -0.1303625682    
O          3.287369475        0.5796663027         2.130266088    
H          4.032215183        0.7973765938         2.689555645    
H          3.299565158         1.231342207         1.373386108    
O         -3.002945865         2.034195936         1.378761408    
H         -3.853650038         2.426563865         1.573517480    
H         -3.061206275         1.085650291         1.708910253    
O          2.829779903        -2.065955041         1.415178153    
H          2.994960491        -1.141959836         1.665774286    
H          2.875763863        -2.097494818        0.4436446522    
O         0.4758850653E-01   -0.9066300181E-01   -0.8010318319E-01
H        -0.7215001372        0.3971177754       -0.4442330830    
H        -0.1947041827        -1.043259059       -0.8606174541E-01
O         0.7048829398        -3.029990779        -2.280951628    
H         0.2494324952        -2.358730816        -2.822202188    
H         0.1830005711        -3.070532652        -1.460090258    
O          3.205925159         2.263761318        0.1328322122    
H          2.434660312         2.851883177        0.1979839664    
H          2.976817136         1.636685732       -0.5837841660    
O         0.5870327366        0.6940704938         2.423165649    
H          1.554291329        0.6502492873         2.499120211    
H         0.3895460391        0.3966909816         1.506129403    
O         -3.065658011       -0.8060055618        -2.220276367    
H         -2.828666864        0.6009726069E-01    -1.843883676    
H         -2.279607387        -1.063902695        -2.734234558    
    63
Energy=    -106.840603523070    
O         0.5779312263         1.159967650        -3.534228478    
H         0.1420181418         1.910731359        -3.104168478    
H          1.308471366        0.9173330208        -2.928695280    
O        -0.5707677288         3.089968711         2.136294791    
H         -1.469701318         2.814702966         1.887851806    
H        -0.1262949445         2.255205428         2.401370325    
O        -0.4145726466         3.351928182        -2.051420538    
H        -0.4993684844         4.187164624        -2.511158820    
H         0.1433133806         3.515515088        -1.256558292    
O         0.9365448129         3.880713510        0.1999010979    
H         0.3354999137         3.561046379        0.9442839332    
H          1.175407251         4.779097732        0.4294074217    
O         -3.238628450       -0.4306744174         2.126737254    
H         -2.487496615       -0.7317614396         2.686087864    
H         -3.282753864        -1.047046708         1.378384214    
O         -1.995505401         1.371255309        -1.011817586    
H         -1.551153304         2.125753685        -1.427416767    
H         -2.405505847         1.691498382       -0.1833348369    
O         -1.048512332        -1.185726551         3.483093907    
H        -0.4709220886       -0.4278111831         3.278527683    
H        -0.5567209031        -1.959375073         3.171160154    
O         0.6072757192        -3.133180109         2.350739936    
H          1.442980394        -2.691964417         2.039248889    
H         0.8756813656        -3.970952200         2.726940823    
O        -0.6711845133        -2.670026518        0.3185257238E-01
H         -1.641766615        -2.621367756        0.1068079007    
H        -0.3152687009        -2.933493277        0.9010508947    
O          2.992511527        -2.178530918        -1.354048477    
H          2.128796677        -2.526548485        -1.718356264    
H          3.682300778        -2.725241109        -1.728389802    
O          2.215412674        0.4103989745        -1.541056317    
H          2.673756751       -0.4458403125        -1.566922264    
H          1.424878717        0.2423067987       -0.9754372207    
O        -0.7256755457        -1.113856419        -3.643221698    
H        -0.8255464466        -1.295346583        -4.577720496    
H        -0.2644810958       -0.2321408238        -3.585545373    
O         -3.323568216        -2.203102120       -0.2985344827E-01
H         -3.267435221        -1.679229907       -0.8791136283    
H         -4.053070446        -2.813463342       -0.1353872451    
O          3.293352740        0.5781057747         2.128235510    
H          4.034777268        0.7991462583         2.690896226    
H          3.303531293         1.232164425         1.373292107    
O         -3.005569290         2.033682042         1.379603520    
H         -3.858724787         2.422868883         1.571856606    
H         -3.060888636         1.085505989         1.711185274    
O          2.816056188        -2.065627521         1.416569274    
H          2.989817696        -1.142915547         1.667098089    
H          2.865301190        -2.097901005        0.4450176280    
O         0.5083478585E-01   -0.9779506020E-01   -0.7623647194E-01
H        -0.7173619210        0.3900848002       -0.4414844722    
H        -0.1930738137        -1.049922966       -0.7955244808E-01
O         0.7028611504        -3.024061971        -2.273805370    
H         0.2449756328        -2.354164918        -2.814224245    
H         0.1838972735        -3.067675006        -1.451152467    
O          3.207647612         2.262383985        0.1319600367    
H          2.436566553         2.850538244        0.2004439131    
H          2.980805889         1.638863137       -0.5885344782    
O         0.5892548121        0.7074401218         2.418034899    
H          1.555823184        0.6588285919         2.496744646    
H         0.3953460479        0.4048300914         1.501893505    
O         -3.066524296       -0.8032175816        -2.221012302    
H         -2.827828479        0.6201941117E-01    -1.843126443    
H         -2.281246959        -1.060330712        -2.736083213    
    63
Energy=    -106.840465345630    
O         0.5738189240         1.164539730        -3.535049882    
H         0.1421387233         1.918469168        -3.107064846    
H          1.304676688        0.9209392253        -2.929310890    
O        -0.5863401044         3.097835757         2.149354032    
H         -1.485833668         2.821887078         1.902888815    
H        -0.1382697917         2.263961637         2.409564753    
O        -0.4109533077         3.351614023        -2.044191158    
H        -0.4735253153         4.184169300        -2.512277999    
H         0.1426909697         3.510923976        -1.245674413    
O         0.9361832637         3.869531057        0.2093570100    
H         0.3308573011         3.561779395        0.9538003763    
H          1.188232176         4.765919030        0.4346293122    
O         -3.267662214       -0.4236973522         2.122983305    
H         -2.511576744       -0.7118928404         2.682469177    
H         -3.299257069        -1.045787438         1.378457317    
O         -1.989686938         1.365138899        -1.004925730    
H         -1.543504648         2.118872150        -1.420232654    
H         -2.395852253         1.687510550       -0.1755666493    
O         -1.063419713        -1.175292739         3.438114084    
H        -0.4685373478       -0.4314683387         3.230306271    
H        -0.5874314911        -1.962632141         3.137629836    
O         0.6177171921        -3.160015734         2.375502144    
H          1.443499308        -2.715677924         2.043380420    
H         0.9010921195        -3.967312518         2.801786468    
O        -0.6602347852        -2.679424152        0.5755197986E-01
H         -1.631583773        -2.628965742        0.1264012632    
H        -0.3083829650        -2.963268660        0.9210591871    
O          3.003580430        -2.166254333        -1.383969483    
H          2.132591876        -2.517058427        -1.728271346    
H          3.683491627        -2.718053754        -1.767955516    
O          2.217717118        0.4188179676        -1.554358957    
H          2.675923137       -0.4375704835        -1.588137493    
H          1.428757695        0.2492637062       -0.9867894708    
O        -0.7314445042        -1.106869815        -3.632184376    
H        -0.8361900223        -1.288498843        -4.566236619    
H        -0.2704466848       -0.2245121943        -3.576892294    
O         -3.303333014        -2.209364280       -0.3062074735E-01
H         -3.246638335        -1.684940081       -0.8798814607    
H         -4.029420495        -2.822295603       -0.1416599041    
O          3.303916428        0.5747520767         2.134384754    
H          4.038867340        0.8004549006         2.703236341    
H          3.319694690         1.226409791         1.377546280    
O         -3.013124552         2.039722170         1.375403132    
H         -3.857624655         2.443894524         1.571552876    
H         -3.084783207         1.089673594         1.699631344    
O          2.795660829        -2.062820818         1.393730957    
H          2.973894983        -1.143701805         1.653998296    
H          2.856635870        -2.089978412        0.4236251904    
O         0.6271466010E-01   -0.1036841459       -0.9053396322E-01
H        -0.7126314361        0.3752784461       -0.4554367288    
H        -0.1752709478        -1.056908915       -0.7051235107E-01
O         0.6959971410        -3.018981947        -2.250798906    
H         0.2320477368        -2.350512680        -2.785890215    
H         0.1869091583        -3.061880686        -1.421040469    
O          3.210971358         2.253290214        0.1346810464    
H          2.436428282         2.835941231        0.2069767198    
H          2.980923909         1.627441243       -0.5830358504    
O         0.5939277703        0.7151882954         2.398335788    
H          1.560024349        0.6676510280         2.478567201    
H         0.3985127370        0.4163345428         1.481002369    
O         -3.070251776       -0.8042421493        -2.219908846    
H         -2.836895391        0.6034332724E-01    -1.838216998    
H         -2.283477538        -1.053225480        -2.737772349    
    63
Energy=    -106.840388545400    
O         0.5731056263         1.168370239        -3.537662023    
H         0.1407782294         1.919481910        -3.105444711    
H          1.306196761        0.9245940013        -2.934843524    
O        -0.5846657643         3.092224848         2.158669895    
H         -1.483041485         2.817853564         1.907691706    
H        -0.1384891593         2.254589360         2.410272436    
O        -0.4101353363         3.354494475        -2.042090343    
H        -0.4595198119         4.188122729        -2.508679563    
H         0.1437198389         3.506782381        -1.241927169    
O         0.9334091629         3.860385702        0.2149378602    
H         0.3310842568         3.550913960        0.9615741575    
H          1.188434219         4.754958695        0.4427362014    
O         -3.295717504       -0.4134894907         2.119624924    
H         -2.538808535       -0.7017876478         2.677459484    
H         -3.327463528        -1.034575838         1.373873920    
O         -1.993564743         1.367161547        -1.008884075    
H         -1.545502227         2.119669287        -1.424017351    
H         -2.397634794         1.689765353       -0.1788213347    
O         -1.075037331        -1.181221571         3.420424316    
H        -0.4851590877       -0.4343503646         3.210197593    
H        -0.5925846339        -1.967669529         3.126618298    
O         0.6321004716        -3.162766485         2.395612196    
H          1.450430568        -2.718972894         2.051269484    
H         0.9326902606        -3.937227114         2.869145735    
O        -0.6510572301        -2.678475288        0.7054110221E-01
H         -1.622283494        -2.623259087        0.1396099661    
H        -0.3034617699        -2.971957316        0.9312854197    
O          3.010729527        -2.163297394        -1.401460440    
H          2.138721986        -2.516779495        -1.738230126    
H          3.693359682        -2.710667561        -1.789299141    
O          2.224217520        0.4207724083        -1.559706603    
H          2.680902248       -0.4359034628        -1.599283828    
H          1.432283811        0.2483153553       -0.9976861056    
O        -0.7329427845        -1.105293053        -3.628283000    
H        -0.8410742801        -1.285699049        -4.561777620    
H        -0.2710818403       -0.2233821764        -3.574477422    
O         -3.297877861        -2.206712552       -0.2468933235E-01
H         -3.244376150        -1.683808455       -0.8749239490    
H         -4.020019348        -2.826584278       -0.1341227527    
O          3.301316619        0.5678941691         2.139751532    
H          4.034776709        0.7942456286         2.710318072    
H          3.315130872         1.221600939         1.384806071    
O         -3.014721092         2.045438944         1.377292782    
H         -3.855781298         2.460854487         1.569515912    
H         -3.102763043         1.097110146         1.701546165    
O          2.795975526        -2.061115405         1.374299745    
H          2.975771544        -1.144824447         1.639764304    
H          2.862788182        -2.085184407        0.4043302553    
O         0.6300027776E-01   -0.1022015977       -0.9863549720E-01
H        -0.7109586625        0.3756932480       -0.4625791146    
H        -0.1732894374        -1.055664132       -0.7957245429E-01
O         0.6949254508        -3.020405384        -2.252624542    
H         0.2300943559        -2.351242289        -2.786915317    
H         0.1921235963        -3.063934617        -1.419741356    
O          3.211169596         2.247790783        0.1385994383    
H          2.435227771         2.828286966        0.2139223556    
H          2.984155713         1.623936126       -0.5820609760    
O         0.5921005193        0.7087396619         2.389918647    
H          1.558948719        0.6556918218         2.475165331    
H         0.4017586377        0.4132956701         1.471041678    
O         -3.070548865       -0.8062010514        -2.212491521    
H         -2.841159762        0.6138218060E-01    -1.835800120    
H         -2.284196297        -1.055005553        -2.731576186    
    63
Energy=    -106.840361822380    
O         0.5729072335         1.169650076        -3.538198702    
H         0.1400450692         1.919950170        -3.104613596    
H          1.306983067        0.9259373172        -2.936647617    
O        -0.5838658490         3.092081666         2.160627620    
H         -1.482300536         2.818781798         1.908177479    
H        -0.1378610561         2.253698801         2.410367452    
O        -0.4093059761         3.355332242        -2.042401235    
H        -0.4562362215         4.189884895        -2.508495490    
H         0.1435775227         3.505543132        -1.241277603    
O         0.9333549879         3.857783689        0.2177017511    
H         0.3295510356         3.549483253        0.9643215488    
H          1.188476411         4.751950868        0.4442172694    
O         -3.304117855       -0.4130087518         2.118654715    
H         -2.546495940       -0.6997951875         2.676075695    
H         -3.331200722        -1.032800388         1.371829948    
O         -1.992270431         1.366080781        -1.009698590    
H         -1.544951392         2.118471353        -1.425280818    
H         -2.397888757         1.688834644       -0.1803341938    
O         -1.077848867        -1.179781971         3.417076134    
H        -0.4829216383       -0.4365911281         3.206832848    
H        -0.5990208049        -1.968739577         3.124629523    
O         0.6338075028        -3.166345255         2.400654980    
H          1.448585788        -2.721605904         2.048898258    
H         0.9400887960        -3.934974039         2.883716597    
O        -0.6484041587        -2.676557291        0.7385630646E-01
H         -1.619478551        -2.621597923        0.1442404017    
H        -0.2998419847        -2.971377053        0.9333351484    
O          3.011672512        -2.161551492        -1.404716195    
H          2.139869487        -2.517296592        -1.739704350    
H          3.695765573        -2.706677393        -1.792359054    
O          2.224959785        0.4207007446        -1.560065139    
H          2.681373725       -0.4359335567        -1.601415513    
H          1.432596831        0.2450138576       -0.9994312603    
O        -0.7340045683        -1.104473799        -3.627337104    
H        -0.8424493842        -1.284925434        -4.561168674    
H        -0.2709512530       -0.2233665319        -3.574034829    
O         -3.296460129        -2.208046360       -0.2357692295E-01
H         -3.242669127        -1.682974967       -0.8731326178    
H         -4.017759626        -2.826752673       -0.1339547964    
O          3.299547960        0.5679239526         2.141898126    
H          4.033731679        0.7915760932         2.712674159    
H          3.314742396         1.220256527         1.385531325    
O         -3.016513214         2.046502003         1.378043849    
H         -3.855566617         2.465657857         1.569223523    
H         -3.106739835         1.098492029         1.703357442    
O          2.795343396        -2.059656101         1.368765548    
H          2.977878361        -1.144619374         1.636376021    
H          2.867122859        -2.082522727        0.3990286868    
O         0.6337248692E-01   -0.1037122048       -0.1019052893    
H        -0.7111412312        0.3749252916       -0.4622571618    
H        -0.1739944322        -1.057396612       -0.8159950181E-01
O         0.6935426740        -3.021324050        -2.252383799    
H         0.2273436479        -2.351504303        -2.785478265    
H         0.1933917997        -3.063326478        -1.418204302    
O          3.211320937         2.246700719        0.1396692956    
H          2.434830034         2.826720686        0.2145207625    
H          2.985500068         1.624149382       -0.5824572251    
O         0.5917999150        0.7088282734         2.387272390    
H          1.558307490        0.6538240890         2.473979771    
H         0.4053611727        0.4150018767         1.466975960    
O         -3.071256047       -0.8066353083        -2.211674297    
H         -2.842507296        0.6141276889E-01    -1.835382910    
H         -2.284217599        -1.054522810        -2.729834002    
    63
Energy=    -106.840131984100    
O         0.5691973799         1.172624069        -3.539499327    
H         0.1391667946         1.922112677        -3.101789003    
H          1.312157647        0.9342811113        -2.947100591    
O        -0.5807022680         3.080559918         2.171604878    
H         -1.478871284         2.809969633         1.913196846    
H        -0.1334350474         2.241209580         2.414645345    
O        -0.4044762548         3.358760050        -2.041192472    
H        -0.4402465987         4.195056620        -2.503857426    
H         0.1447490473         3.500054384        -1.235769472    
O         0.9327472171         3.844026214        0.2264329246    
H         0.3296256833         3.535812577        0.9740821027    
H          1.187505137         4.737171853        0.4540833125    
O         -3.345477405       -0.4053155000         2.114240889    
H         -2.587697031       -0.7025033800         2.664484599    
H         -3.372098665        -1.017637076         1.360204979    
O         -1.994622288         1.371407409        -1.010564532    
H         -1.555452796         2.125418095        -1.431524560    
H         -2.403063467         1.695594927       -0.1835804331    
O         -1.100746427        -1.179474355         3.387593843    
H        -0.5066609048       -0.4349714941         3.180778895    
H        -0.5937559277        -1.969245747         3.149020643    
O         0.6545091573        -3.174304863         2.411393553    
H          1.461284357        -2.736430489         2.036126484    
H         0.9712355184        -3.890578257         2.961528886    
O        -0.6355980950        -2.677426806        0.8931377797E-01
H         -1.605930031        -2.618529552        0.1705678772    
H        -0.2806006465        -2.968825133        0.9470324256    
O          3.018325316        -2.158900903        -1.428110708    
H          2.149443244        -2.522137031        -1.763707678    
H          3.706856087        -2.694755894        -1.819961116    
O          2.229275837        0.4202732984        -1.572619990    
H          2.691727765       -0.4341513055        -1.613616140    
H          1.439978910        0.2412824677        -1.009423024    
O        -0.7335745652        -1.103264637        -3.623481729    
H        -0.8504669496        -1.281688219        -4.556018648    
H        -0.2706941938       -0.2214033378        -3.571444207    
O         -3.293306331        -2.201952621       -0.9778959751E-02
H         -3.242017765        -1.681651581       -0.8613518019    
H         -4.004307669        -2.832395382       -0.1213758837    
O          3.292892413        0.5624251990         2.149755592    
H          4.026205975        0.7841332341         2.721150194    
H          3.313563145         1.213586137         1.392406174    
O         -3.019443352         2.056870393         1.372623650    
H         -3.851788429         2.490663851         1.565315290    
H         -3.123284945         1.114098056         1.705506774    
O          2.804593921        -2.059811392         1.350989780    
H          2.977405961        -1.142514848         1.618114638    
H          2.859005898        -2.079206058        0.3804049298    
O         0.6492216488E-01   -0.1066999486       -0.1124900001    
H        -0.7147049587        0.3680082183       -0.4693471993    
H        -0.1726649156        -1.059437036       -0.7899700440E-01
O         0.6988231808        -3.019917708        -2.253128260    
H         0.2263002208        -2.355174594        -2.787067240    
H         0.2029070391        -3.064821142        -1.417400207    
O          3.210269409         2.240057386        0.1488065682    
H          2.431282908         2.817336571        0.2222940963    
H          2.991578312         1.621755197       -0.5787775710    
O         0.5907285329        0.6904532111         2.376338098    
H          1.555877434        0.6449671465         2.476336119    
H         0.4147564490        0.4145473347         1.447320112    
O         -3.073923782       -0.8069062151        -2.208343618    
H         -2.847600337        0.6311810533E-01    -1.834889876    
H         -2.285173628        -1.054844817        -2.723976119    
    63
Energy=    -106.839545298250    
O         0.5647350651         1.176320800        -3.543905035    
H         0.1374785072         1.924226643        -3.100283215    
H          1.314254469        0.9384901148        -2.960327910    
O        -0.5680718531         3.044449474         2.176554138    
H         -1.471450702         2.786181780         1.924454747    
H        -0.1303079563         2.199724132         2.420965941    
O        -0.4000608894         3.360247124        -2.036361199    
H        -0.4232104207         4.199170919        -2.497769427    
H         0.1446597020         3.491429746        -1.226885219    
O         0.9370210904         3.823505413        0.2418439499    
H         0.3311056473         3.509020897        0.9850867697    
H          1.180713298         4.720847149        0.4734778196    
O         -3.390676364       -0.3771549311         2.117539742    
H         -2.633079090       -0.6967837457         2.653062365    
H         -3.436420400       -0.9849614423         1.361422820    
O         -2.013714262         1.388794455        -1.020377559    
H         -1.573484418         2.144253137        -1.437921150    
H         -2.412027936         1.709756841       -0.1872660166    
O         -1.134624913        -1.214904127         3.357996225    
H        -0.5775023039       -0.4414578279         3.150100426    
H        -0.5809806481        -1.972888927         3.117168342    
O         0.7025953836        -3.136173751         2.450634505    
H          1.510454563        -2.717131081         2.051551701    
H          1.019103176        -3.747552572         3.115149375    
O        -0.6274611114        -2.673997600        0.9952485109E-01
H         -1.597605960        -2.608418957        0.1805654284    
H        -0.2803757655        -2.981571519        0.9523930835    
O          3.038140656        -2.155351369        -1.472238406    
H          2.164047820        -2.520329012        -1.788680593    
H          3.719773785        -2.697832450        -1.868276054    
O          2.248373406        0.4279263348        -1.587053507    
H          2.700918672       -0.4309379651        -1.632272902    
H          1.454854798        0.2518141906        -1.029958237    
O        -0.7329886115        -1.103567340        -3.616183998    
H        -0.8550625436        -1.281660915        -4.548997877    
H        -0.2707304547       -0.2219904551        -3.567305359    
O         -3.291708801        -2.190853789        0.1309512756E-01
H         -3.249169867        -1.678877814       -0.8440491028    
H         -3.984335365        -2.842536551       -0.8896886973E-01
O          3.282258476        0.5469482780         2.157364604    
H          4.016550997        0.7701815261         2.730021463    
H          3.303084668         1.198053771         1.399669686    
O         -3.019278137         2.076017427         1.374706184    
H         -3.846079419         2.522318003         1.557159853    
H         -3.142052044         1.131234613         1.696741131    
O          2.813089904        -2.068411486         1.324134489    
H          2.995572077        -1.151206251         1.591000638    
H          2.866705902        -2.095616725        0.3566326623    
O         0.6882858860E-01   -0.9492928620E-01   -0.1471046107    
H        -0.7159517621        0.3826118953       -0.4873171738    
H        -0.1702030451        -1.046478472       -0.9378714490E-01
O         0.7025471147        -3.031395318        -2.272448907    
H         0.2392061998        -2.352694768        -2.797482381    
H         0.2161589120        -3.070170215        -1.431217642    
O          3.207497188         2.227483384        0.1641701660    
H          2.426799437         2.803684039        0.2347473778    
H          2.997027437         1.616258256       -0.5713999777    
O         0.5782902141        0.6534803453         2.380345733    
H          1.544059584        0.5996188877         2.476616414    
H         0.4010289446        0.3863591971         1.451085488    
O         -3.073165223       -0.8110855994        -2.198992904    
H         -2.847135403        0.6052454677E-01    -1.829678674    
H         -2.281508908        -1.061253457        -2.708962715    
    63
Energy=    -106.839253678900    
O         0.5638981514         1.176688608        -3.544942219    
H         0.1360192491         1.923427477        -3.100482729    
H          1.316217746        0.9400231001        -2.964062461    
O        -0.5644689402         3.029698350         2.186477274    
H         -1.467494463         2.778052814         1.926750283    
H        -0.1294711787         2.179913306         2.419458603    
O        -0.3994649307         3.360042211        -2.032209749    
H        -0.4160128480         4.200014132        -2.493901161    
H         0.1457659180         3.489435326        -1.223334794    
O         0.9323549652         3.818605744        0.2427772565    
H         0.3360945708         3.493600808        0.9881318552    
H          1.177643944         4.714267421        0.4838453813    
O         -3.404284405       -0.3643115003         2.123442606    
H         -2.644714423       -0.6808572087         2.654852580    
H         -3.450428025       -0.9743475342         1.369102993    
O         -2.016072415         1.393111341        -1.023440663    
H         -1.577451214         2.148134594        -1.442690562    
H         -2.417343107         1.715242503       -0.1914409823    
O         -1.158136776        -1.237382053         3.328497861    
H        -0.6061862873       -0.4560146191         3.163305311    
H        -0.5894194319        -1.981897973         3.073713506    
O         0.7128119803        -3.112466803         2.483446453    
H          1.511980127        -2.694616997         2.067067247    
H          1.038429431        -3.661482253         3.196454451    
O        -0.6239299425        -2.676496070        0.1008641009    
H         -1.591690998        -2.595252592        0.1746864118    
H        -0.2866377003        -2.989421644        0.9534372021    
O          3.045309401        -2.159554391        -1.482929117    
H          2.169508224        -2.520910022        -1.796436488    
H          3.721127990        -2.701286173        -1.889606684    
O          2.252643520        0.4304394553        -1.594904808    
H          2.706443919       -0.4279213920        -1.641621272    
H          1.459266677        0.2580581974        -1.036878438    
O        -0.7312972749        -1.103909464        -3.612671129    
H        -0.8545009962        -1.283798423        -4.545521690    
H        -0.2724090880       -0.2204994485        -3.566259207    
O         -3.291220984        -2.186804320        0.2211108842E-01
H         -3.252351124        -1.679879383       -0.8382306133    
H         -3.977983534        -2.845659568       -0.7894190255E-01
O          3.279230560        0.5330444419         2.158527261    
H          4.009481287        0.7611447729         2.731832452    
H          3.291114439         1.189413276         1.405234687    
O         -3.023894378         2.079728217         1.372779851    
H         -3.843330913         2.532685888         1.555615706    
H         -3.150071610         1.137076404         1.705806987    
O          2.849700749        -2.072397759         1.306651433    
H          3.008745718        -1.152971543         1.573277679    
H          2.884713349        -2.095238249        0.3345099088    
O         0.6525530102E-01   -0.7990936210E-01   -0.1500836040    
H        -0.7159132391        0.3987944102       -0.5011238493    
H        -0.1695256788        -1.032350401       -0.1197221371    
O         0.7104113279        -3.025912501        -2.275250669    
H         0.2409048633        -2.356317867        -2.805058012    
H         0.2152001939        -3.076753726        -1.440378972    
O          3.207314041         2.220815797        0.1706575887    
H          2.428367468         2.798332269        0.2413919574    
H          3.000874624         1.615263241       -0.5707077396    
O         0.5720017749        0.6314041177         2.380710371    
H          1.536353678        0.5683959552         2.473754140    
H         0.3930541686        0.3674533474         1.449454647    
O         -3.069350849       -0.8165161120        -2.188007095    
H         -2.847470564        0.5909132181E-01    -1.825196975    
H         -2.279200935        -1.067503895        -2.699081927    
    63
Energy=    -106.837586820460    
O         0.5594529065         1.177865822        -3.545779319    
H         0.1342576890         1.924166828        -3.098137321    
H          1.318799937        0.9445415292        -2.972604737    
O        -0.5389476577         2.943465154         2.205374267    
H         -1.448958795         2.722153690         1.942272908    
H        -0.1235904504         2.079558233         2.421989346    
O        -0.3915743134         3.362449747        -2.026014887    
H        -0.3957099277         4.202357024        -2.486035026    
H         0.1484928993         3.483072445        -1.211796978    
O         0.9295896654         3.791841466        0.2674364605    
H         0.3457649117         3.445126474         1.014565777    
H          1.162578332         4.684996347        0.5200066901    
O         -3.465444782       -0.3374084776         2.123807280    
H         -2.737363115       -0.6668688486         2.697056825    
H         -3.480554284       -0.9516086566         1.372258923    
O         -2.030094592         1.405912989        -1.027999449    
H         -1.586364637         2.159222869        -1.446291012    
H         -2.426407691         1.728804305       -0.1945935993    
O         -1.271391380        -1.252275483         3.359433917    
H        -0.6384768934       -0.5275312416         3.197425345    
H        -0.8270797614        -2.025614810         2.987280904    
O         0.7709907381        -2.964183232         2.482170570    
H          1.578080778        -2.656030907         2.009255463    
H          1.065470630        -3.120987706         3.380072830    
O        -0.6149432703        -2.626708689        0.7903503769E-01
H         -1.585813434        -2.580877192        0.1866848232    
H        -0.2278662321        -2.898362877        0.9255081356    
O          3.056783117        -2.154593037        -1.540077693    
H          2.175613996        -2.523442601        -1.832093498    
H          3.726406473        -2.701045669        -1.950522673    
O          2.266366023        0.4349703046        -1.608678328    
H          2.712153776       -0.4270315227        -1.667401917    
H          1.470449346        0.2628071246        -1.054369565    
O        -0.7326220641        -1.105421908        -3.607663558    
H        -0.8525948019        -1.291712235        -4.537436682    
H        -0.2726102210       -0.2213453616        -3.563610106    
O         -3.271885124        -2.187741522        0.6162242729E-01
H         -3.228606494        -1.683443700       -0.8005747838    
H         -3.950948155        -2.852204358       -0.4511844215E-01
O          3.250916136        0.4873597023         2.153629467    
H          3.972846409        0.7066811579         2.742077045    
H          3.273850933         1.154739098         1.410222664    
O         -3.024784397         2.099271842         1.365922764    
H         -3.837365039         2.575641485         1.555037053    
H         -3.176647440         1.161181638         1.693925184    
O          2.951683828        -2.109747399         1.247112074    
H          3.127749325        -1.192904497         1.521194868    
H          3.016484294        -2.132589782        0.2762787026    
O         0.6361198862E-01   -0.6144454547E-01   -0.1802006426    
H        -0.7154420007        0.4236841149       -0.5228468711    
H        -0.1775465066        -1.013841190       -0.1735790615    
O         0.7069520331        -3.034825571        -2.276929223    
H         0.2308172746        -2.360278853        -2.794920093    
H         0.2294123696        -3.075949999        -1.430909578    
O          3.211334875         2.204949324        0.1870347051    
H          2.429735023         2.780168165        0.2524672037    
H          3.015025832         1.607226251       -0.5631731392    
O         0.5323744976        0.5058210472         2.389401602    
H          1.497095081        0.4609997538         2.486361718    
H         0.3655146819        0.2974509037         1.442084902    
O         -3.053842283       -0.8387708622        -2.160099762    
H         -2.849727121        0.4713720498E-01    -1.813711900    
H         -2.264941833        -1.078073705        -2.679328556    
    63
Energy=    -106.837244738610    
O         0.5595699059         1.177445188        -3.545333448    
H         0.1343266586         1.924578851        -3.098026162    
H          1.318907773        0.9445870951        -2.972230794    
O        -0.5370618397         2.933179912         2.208861729    
H         -1.447232646         2.713770496         1.943946309    
H        -0.1250579942         2.067495548         2.422555122    
O        -0.3915015635         3.362265771        -2.023927971    
H        -0.3933992598         4.202897014        -2.485343605    
H         0.1498124434         3.482765395        -1.211320489    
O         0.9280984828         3.789530981        0.2692712578    
H         0.3480422135         3.439686344         1.017126147    
H          1.161839455         4.682357015        0.5232024857    
O         -3.473068206       -0.3322736256         2.121168116    
H         -2.751811957       -0.6578500299         2.698490299    
H         -3.486663822       -0.9504456949         1.367736153    
O         -2.031376978         1.407546015        -1.028199189    
H         -1.587804267         2.160284752        -1.445577959    
H         -2.427144128         1.731064832       -0.1942587704    
O         -1.276209997        -1.255010857         3.383410085    
H        -0.6494345024       -0.5326464101         3.193347315    
H        -0.8580041058        -2.032198424         2.986234915    
O         0.7807312868        -2.963840023         2.475817774    
H          1.583259650        -2.640320595         1.989977728    
H          1.060106277        -3.050504883         3.393795124    
O        -0.6125792004        -2.617455075        0.7514364581E-01
H         -1.580434148        -2.584620586        0.1938424172    
H        -0.2213098855        -2.879447889        0.9178819355    
O          3.057629903        -2.156914841        -1.544750267    
H          2.176081057        -2.523722950        -1.838404911    
H          3.726034140        -2.701354030        -1.958536882    
O          2.267811207        0.4347287256        -1.611445353    
H          2.713416490       -0.4265958683        -1.670058580    
H          1.471621689        0.2651874920        -1.056204431    
O        -0.7316594603        -1.104635427        -3.605021094    
H        -0.8528925083        -1.292600518        -4.538663872    
H        -0.2725815199       -0.2216422169        -3.563981081    
O         -3.269909282        -2.185378980        0.6588186595E-01
H         -3.224029907        -1.685445951       -0.7987902365    
H         -3.948215191        -2.853789024       -0.4200582562E-01
O          3.249265386        0.4822825929         2.152885909    
H          3.967948007        0.7025983724         2.741610898    
H          3.273791797         1.152487011         1.412245240    
O         -3.026293964         2.100604031         1.366742578    
H         -3.833109066         2.576515706         1.554708417    
H         -3.180151067         1.161312107         1.693297751    
O          2.980934566        -2.124492082         1.243916496    
H          3.132115554        -1.201779209         1.508615926    
H          3.023619599        -2.128574970        0.2752856089    
O         0.6093019407E-01   -0.6171255953E-01   -0.1773450465    
H        -0.7159796566        0.4235994662       -0.5261728416    
H        -0.1764057485        -1.015495387       -0.1751364654    
O         0.7081554862        -3.032829267        -2.272421427    
H         0.2294308478        -2.361858075        -2.794019764    
H         0.2318365290        -3.076433857        -1.426984324    
O          3.211594835         2.202449889        0.1889072347    
H          2.430736646         2.778108471        0.2534093699    
H          3.015848849         1.605497460       -0.5619160124    
O         0.5323345247        0.4951023624         2.388586247    
H          1.497636813        0.4493619587         2.488699755    
H         0.3608417261        0.2869707598         1.440776559    
O         -3.050982850       -0.8418632285        -2.154868473    
H         -2.850670083        0.4725169221E-01    -1.813616368    
H         -2.264824084        -1.079023170        -2.679307290    
    63
Energy=    -106.836636058910    
O         0.5601494977         1.179064423        -3.545318923    
H         0.1349039800         1.924507851        -3.096201354    
H          1.317847141        0.9436380316        -2.970935815    
O        -0.5288506081         2.896654100         2.216724493    
H         -1.440938081         2.688327948         1.950829925    
H        -0.1270899575         2.026706610         2.432637148    
O        -0.3888315772         3.363788050        -2.021442278    
H        -0.3862890997         4.203109125        -2.481520194    
H         0.1511733877         3.480481082        -1.206557743    
O         0.9300582225         3.780222894        0.2766142683    
H         0.3528809884         3.420953542         1.021202914    
H          1.158149099         4.673404348        0.5352905860    
O         -3.504161378       -0.3279942289         2.112990206    
H         -2.787128129       -0.6355596951         2.707240666    
H         -3.494049082       -0.9498114443         1.365275994    
O         -2.034984265         1.411070617        -1.030133622    
H         -1.588543360         2.163953110        -1.446204971    
H         -2.426983431         1.733078176       -0.1944139419    
O         -1.330766402        -1.245982582         3.417095353    
H        -0.6842340780       -0.5488614261         3.195340938    
H        -0.9544524048        -2.054449667         3.050412292    
O         0.8038594631        -2.915360346         2.423037861    
H          1.631180543        -2.666768185         1.942031011    
H          1.009082767        -2.771847325         3.359024346    
O        -0.5994409189        -2.619943393        0.8383873621E-01
H         -1.566994370        -2.584217334        0.2085469856    
H        -0.1833865041        -2.840261891        0.9314183624    
O          3.063395877        -2.157716224        -1.561871063    
H          2.179135444        -2.523112455        -1.848834715    
H          3.727977271        -2.701514069        -1.984096046    
O          2.268675440        0.4354136739        -1.608998957    
H          2.711172371       -0.4274635046        -1.675497599    
H          1.472222263        0.2646944720        -1.055286678    
O        -0.7309133601        -1.106499765        -3.605910123    
H        -0.8528035896        -1.292514551        -4.536421712    
H        -0.2722212790       -0.2223513474        -3.563461696    
O         -3.261041755        -2.191720728        0.7578835862E-01
H         -3.210881816        -1.692710527       -0.7892446218    
H         -3.941445527        -2.855147477       -0.3477992554E-01
O          3.242332615        0.4666505926         2.149967969    
H          3.956372130        0.6900095132         2.746500227    
H          3.266533097         1.142479205         1.413741605    
O         -3.023151735         2.100790459         1.369603524    
H         -3.827977212         2.585811429         1.556472495    
H         -3.191895145         1.162589366         1.689255058    
O          3.053490847        -2.143250468         1.221496629    
H          3.155203003        -1.216949166         1.500126882    
H          3.044723904        -2.147358359        0.2486135895    
O         0.6438618233E-01   -0.5091192277E-01   -0.1875792734    
H        -0.7204339589        0.4301928315       -0.5258613478    
H        -0.1685094749        -1.005634381       -0.1708779512    
O         0.7081664867        -3.035079302        -2.269671875    
H         0.2271099235        -2.365572304        -2.789385825    
H         0.2375820662        -3.072079860        -1.419676552    
O          3.212688175         2.193954815        0.1925223993    
H          2.433460419         2.772120479        0.2569244107    
H          3.017332085         1.600218923       -0.5612796934    
O         0.5311744074        0.4595274294         2.389194421    
H          1.497988456        0.4148552127         2.479543820    
H         0.3620890291        0.2528617990         1.441271374    
O         -3.048275226       -0.8447810805        -2.150666919    
H         -2.847479083        0.4389114414E-01    -1.809700673    
H         -2.261832673        -1.080838645        -2.675233281    
    63
Energy=    -106.836039692740    
O         0.5602738082         1.178342513        -3.542261477    
H         0.1355843545         1.924227020        -3.093531496    
H          1.319013464        0.9432145357        -2.968816144    
O        -0.5116008038         2.844111628         2.226618707    
H         -1.427821099         2.650975684         1.962979182    
H        -0.1202742868         1.970364189         2.440528583    
O        -0.3859493925         3.365140902        -2.016126288    
H        -0.3741976600         4.205105022        -2.475001318    
H         0.1526897156         3.475284213        -1.199849670    
O         0.9302391491         3.763578484        0.2898307930    
H         0.3617396597         3.388349777         1.031761256    
H          1.148813622         4.655912248        0.5599669880    
O         -3.548639467       -0.3251069541         2.100033862    
H         -2.854569194       -0.6189550244         2.726587578    
H         -3.505004952       -0.9571024542         1.361588460    
O         -2.033631778         1.413744762        -1.029322491    
H         -1.589154858         2.165672419        -1.448723318    
H         -2.427775076         1.737666497       -0.1954640003    
O         -1.409182243        -1.209899535         3.474949162    
H        -0.7144700179       -0.5865728709         3.186243303    
H         -1.135004236        -2.075580306         3.160276299    
O         0.8505771550        -2.837230507         2.395234411    
H          1.707520036        -2.725168348         1.916858170    
H         0.9512207647        -2.303988176         3.186983711    
O        -0.5676182285        -2.599757047        0.1023744026    
H         -1.533486452        -2.590217019        0.2285139802    
H        -0.1421199840        -2.788505618        0.9601056032    
O          3.068607998        -2.154624508        -1.589404564    
H          2.181805902        -2.527497526        -1.859168871    
H          3.730539288        -2.695872606        -2.018577240    
O          2.268400142        0.4335806863        -1.608482262    
H          2.708690118       -0.4303327362        -1.678871002    
H          1.472320376        0.2632263529        -1.053824441    
O        -0.7303436465        -1.107087442        -3.605398325    
H        -0.8527816699        -1.292293382        -4.536632745    
H        -0.2712214408       -0.2235140863        -3.562294769    
O         -3.245471506        -2.200962560        0.8563274023E-01
H         -3.197149278        -1.699875448       -0.7781835740    
H         -3.932993381        -2.857598513       -0.2432960350E-01
O          3.228931446        0.4444273889         2.148496546    
H          3.937602562        0.6720699369         2.749456159    
H          3.256929338         1.119352264         1.411466167    
O         -3.024620366         2.102728403         1.370855860    
H         -3.817444527         2.604807487         1.558530974    
H         -3.215707391         1.165711599         1.680651917    
O          3.115435078        -2.172055035         1.185045503    
H          3.214615553        -1.247862718         1.467483768    
H          3.108433988        -2.164883342        0.2129063053    
O         0.6302042888E-01   -0.4297299353E-01   -0.1849320574    
H        -0.7188178851        0.4414857335       -0.5244413227    
H        -0.1691891760       -0.9998078230       -0.1826620109    
O         0.7066178743        -3.038620604        -2.267771340    
H         0.2263821719        -2.369247178        -2.788262330    
H         0.2431057781        -3.068858635        -1.413344595    
O          3.214851624         2.180945992        0.1996898244    
H          2.437876752         2.762151317        0.2627526830    
H          3.020563344         1.591993117       -0.5582654535    
O         0.5240991079        0.3726104561         2.398756041    
H          1.493699476        0.3698080791         2.476974626    
H         0.3542885437        0.2141763755         1.440055042    
O         -3.041341675       -0.8513719278        -2.140476304    
H         -2.843088168        0.3891726400E-01    -1.802748204    
H         -2.257307678        -1.085501821        -2.669511913    
    63
Energy=    -106.836025589980    
O         0.5603046416         1.178421261        -3.542118460    
H         0.1355867470         1.924247582        -3.093351283    
H          1.318974462        0.9431546049        -2.968622304    
O        -0.5088894381         2.834031830         2.228457680    
H         -1.425691473         2.643505420         1.964816248    
H        -0.1194967492         1.959650822         2.442259713    
O        -0.3853456552         3.365393249        -2.015347501    
H        -0.3719028039         4.205309132        -2.474268961    
H         0.1530667377         3.474548285        -1.198870242    
O         0.9302164492         3.760839243        0.2921393942    
H         0.3632333049         3.382835527         1.033499906    
H          1.147085021         4.653100949        0.5639410980    
O         -3.556660217       -0.3243075209         2.096803798    
H         -2.866855034       -0.6173628445         2.728007704    
H         -3.508395139       -0.9572480613         1.359267946    
O         -2.033829565         1.414292544        -1.029327706    
H         -1.589482896         2.166144370        -1.448941755    
H         -2.427976836         1.738341079       -0.1955485386    
O         -1.423281359        -1.205650952         3.485049278    
H        -0.7267448924       -0.5873220236         3.191088212    
H         -1.150676686        -2.076864433         3.184980580    
O         0.8560939804        -2.821657456         2.390518083    
H          1.716897635        -2.730334619         1.914508981    
H         0.9398309906        -2.229610292         3.141863717    
O        -0.5634399365        -2.597798383        0.1036040226    
H         -1.528757109        -2.590870431        0.2318576066    
H        -0.1344483691        -2.781425675        0.9622180011    
O          3.069253442        -2.154655646        -1.592551153    
H          2.182148494        -2.527989094        -1.860814955    
H          3.730730849        -2.694819126        -2.023780274    
O          2.268099477        0.4332483275        -1.608235939    
H          2.707996994       -0.4308465930        -1.679264063    
H          1.472137684        0.2631459617        -1.053346391    
O        -0.7300398991        -1.107312134        -3.605366994    
H        -0.8527049507        -1.292617764        -4.536574753    
H        -0.2710274099       -0.2237217194        -3.562434807    
O         -3.243225480        -2.201806031        0.8743085951E-01
H         -3.194720911        -1.701177269       -0.7765903416    
H         -3.930761854        -2.858441424       -0.2252093357E-01
O          3.227482003        0.4409460764         2.147388884    
H          3.934551291        0.6688668594         2.750136900    
H          3.256509313         1.116477443         1.410882723    
O         -3.024082759         2.102747330         1.371485527    
H         -3.815266940         2.607335821         1.559160834    
H         -3.218983589         1.165844609         1.679199945    
O          3.127385717        -2.177732671         1.181096585    
H          3.223977584        -1.253572392         1.464118333    
H          3.116583853        -2.169247441        0.2090013533    
O         0.6272525476E-01   -0.4180412539E-01   -0.1837027103    
H        -0.7188985663        0.4427235990       -0.5235403697    
H        -0.1690709792       -0.9990146327       -0.1833368190    
O         0.7066790350        -3.039177145        -2.267383762    
H         0.2262243652        -2.370051801        -2.787942943    
H         0.2441299082        -3.068419052        -1.412317269    
O          3.215522860         2.179202520        0.2003454291    
H          2.438822425         2.760740251        0.2634228736    
H          3.021229900         1.590794194       -0.5580701671    
O         0.5247650817        0.3584351191         2.401453867    
H          1.494892595        0.3639025932         2.475908177    
H         0.3534088553        0.2059510283         1.441841305    
O         -3.040275178       -0.8524901050        -2.139234940    
H         -2.842648747        0.3811574271E-01    -1.802073113    
H         -2.256454426        -1.086186914        -2.668766635    
    63
Energy=    -106.836045958330    
O         0.5602809116         1.178342347        -3.542256625    
H         0.1355831961         1.924223218        -3.093522124    
H          1.319019816        0.9432110702        -2.968805723    
O        -0.5115474629         2.843954628         2.226664510    
H         -1.427769204         2.650874244         1.963006841    
H        -0.1202499723         1.970177571         2.440528078    
O        -0.3859505373         3.365147050        -2.016113371    
H        -0.3741631932         4.205114582        -2.474982638    
H         0.1526959632         3.475267694        -1.199839391    
O         0.9302397033         3.763533604        0.2898678167    
H         0.3617616747         3.388261877         1.031784525    
H          1.148787949         4.655873586        0.5600370203    
O         -3.548774135       -0.3251245456         2.099989585    
H         -2.854776591       -0.6188996140         2.726633558    
H         -3.505059143       -0.9571188412         1.361526270    
O         -2.033638415         1.413754080        -1.029328301    
H         -1.589156582         2.165670163        -1.448724305    
H         -2.427776150         1.737682410       -0.1954643700    
O         -1.409185453        -1.209829511         3.475255339    
H        -0.7145224674       -0.5865989409         3.186123163    
H         -1.135611518        -2.075683847         3.160493351    
O         0.8511320861        -2.837014200         2.395790403    
H          1.707797104        -2.725537782         1.915939966    
H         0.9506206495        -2.302653666         3.186953496    
O        -0.5676281516        -2.599682013        0.1023118259    
H         -1.533437395        -2.590224818        0.2285031704    
H        -0.1419568096        -2.788298342        0.9600977973    
O          3.068611085        -2.154640243        -1.589442644    
H          2.181817580        -2.527499587        -1.859189241    
H          3.730536404        -2.695851226        -2.018664586    
O          2.268400246        0.4335751181        -1.608471337    
H          2.708679827       -0.4303357598        -1.678880958    
H          1.472309621        0.2632244305        -1.053822976    
O        -0.7303438407        -1.107085842        -3.605387820    
H        -0.8527808564        -1.292290646        -4.536647479    
H        -0.2712210899       -0.2235185899        -3.562294510    
O         -3.245456212        -2.200969189        0.8566918603E-01
H         -3.197114526        -1.699894522       -0.7781644088    
H         -3.932976875        -2.857609222       -0.2430828161E-01
O          3.228945468        0.4443514142         2.148471904    
H          3.937566424        0.6720516449         2.749459483    
H          3.256905784         1.119296429         1.411467550    
O         -3.024640664         2.102742562         1.370867942    
H         -3.817403158         2.604849217         1.558530934    
H         -3.215765514         1.165724952         1.680618152    
O          3.115716559        -2.172095737         1.184943521    
H          3.214734600        -1.247932543         1.467411514    
H          3.108572106        -2.164953374        0.2128257408    
O         0.6302235972E-01   -0.4298516722E-01   -0.1849499445    
H        -0.7188015976        0.4415050584       -0.5244319710    
H        -0.1691997505       -0.9998079008       -0.1826781246    
O         0.7066239496        -3.038625078        -2.267752475    
H         0.2263872942        -2.369261547        -2.788257020    
H         0.2431186825        -3.068847330        -1.413326773    
O          3.214854739         2.180906071        0.1997094084    
H          2.437893647         2.762122071        0.2627685056    
H          3.020570696         1.591967347       -0.5582557989    
O         0.5240357915        0.3725626448         2.398810776    
H          1.493643912        0.3696425281         2.476971812    
H         0.3542534025        0.2140186334         1.440112559    
O         -3.041328025       -0.8513921966        -2.140449996    
H         -2.843074164        0.3890539031E-01    -1.802729737    
H         -2.257298676        -1.085514211        -2.669493291    
    63
Energy=    -106.836046469620    
O         0.5602738082         1.178342513        -3.542261477    
H         0.1355843545         1.924227020        -3.093531496    
H          1.319013464        0.9432145357        -2.968816144    
O        -0.5116008038         2.844111628         2.226618707    
H         -1.427821099         2.650975684         1.962979182    
H        -0.1202742868         1.970364189         2.440528583    
O        -0.3859493925         3.365140902        -2.016126288    
H        -0.3741976600         4.205105022        -2.475001318    
H         0.1526897156         3.475284213        -1.199849670    
O         0.9302391491         3.763578484        0.2898307930    
H         0.3617396597         3.388349777         1.031761256    
H          1.148813622         4.655912248        0.5599669880    
O         -3.548639467       -0.3251069541         2.100033862    
H         -2.854569194       -0.6189550244         2.726587578    
H         -3.505004952       -0.9571024542         1.361588460    
O         -2.033631778         1.413744762        -1.029322491    
H         -1.589154858         2.165672419        -1.448723318    
H         -2.427775076         1.737666497       -0.1954640003    
O         -1.409182243        -1.209899535         3.474949162    
H        -0.7144700179       -0.5865728709         3.186243303    
H         -1.135004236        -2.075580306         3.160276299    
O         0.8505771550        -2.837230507         2.395234411    
H          1.707520036        -2.725168348         1.916858170    
H         0.9512207647        -2.303988176         3.186983711    
O        -0.5676182285        -2.599757047        0.1023744026    
H         -1.533486452        -2.590217019        0.2285139802    
H        -0.1421199840        -2.788505618        0.9601056032    
O          3.068607998        -2.154624508        -1.589404564    
H          2.181805902        -2.527497526        -1.859168871    
H          3.730539288        -2.695872606        -2.018577240    
O          2.268400142        0.4335806863        -1.608482262    
H          2.708690118       -0.4303327362        -1.678871002    
H          1.472320376        0.2632263529        -1.053824441    
O        -0.7303436465        -1.107087442        -3.605398325    
H        -0.8527816699        -1.292293382        -4.536632745    
H        -0.2712214408       -0.2235140863        -3.562294769    
O         -3.245471506        -2.200962560        0.8563274023E-01
H         -3.197149278        -1.699875448       -0.7781835740    
H         -3.932993381        -2.857598513       -0.2432960350E-01
O          3.228931446        0.4444273889         2.148496546    
H          3.937602562        0.6720699369         2.749456159    
H          3.256929338         1.119352264         1.411466167    
O         -3.024620366         2.102728403         1.370855860    
H         -3.817444527         2.604807487         1.558530974    
H         -3.215707391         1.165711599         1.680651917    
O          3.115435078        -2.172055035         1.185045503    
H          3.214615553        -1.247862718         1.467483768    
H          3.108433988        -2.164883342        0.2129063053    
O         0.6302042888E-01   -0.4297299353E-01   -0.1849320574    
H        -0.7188178851        0.4414857335       -0.5244413227    
H        -0.1691891760       -0.9998078230       -0.1826620109    
O         0.7066178743        -3.038620604        -2.267771340    
H         0.2263821719        -2.369247178        -2.788262330    
H         0.2431057781        -3.068858635        -1.413344595    
O          3.214851624         2.180945992        0.1996898244    
H          2.437876752         2.762151317        0.2627526830    
H          3.020563344         1.591993117       -0.5582654535    
O         0.5240991079        0.3726104561         2.398756041    
H          1.493699476        0.3698080791         2.476974626    
H         0.3542885437        0.2141763755         1.440055042    
O         -3.041341675       -0.8513719278        -2.140476304    
H         -2.843088168        0.3891726400E-01    -1.802748204    
H         -2.257307678        -1.085501821        -2.669511913    
    63
Energy=    -106.836052801600    
O         0.5602655426         1.178352362        -3.542289995    
H         0.1355771424         1.924238757        -3.093546242    
H          1.319003277        0.9432117688        -2.968832726    
O        -0.5117309234         2.844448138         2.226547187    
H         -1.427933347         2.651215467         1.962900518    
H        -0.1203239171         1.970748320         2.440516373    
O        -0.3859529438         3.365128565        -2.016161525    
H        -0.3742772034         4.205087847        -2.475044725    
H         0.1526738469         3.475320756        -1.199881479    
O         0.9302444041         3.763666976        0.2897533173    
H         0.3616855740         3.388559932         1.031680308    
H          1.148880229         4.656032676        0.5598035754    
O         -3.548350544       -0.3250731154         2.100155981    
H         -2.854121171       -0.6190505416         2.726436571    
H         -3.504889668       -0.9570669986         1.361671935    
O         -2.033627342         1.413745086        -1.029340683    
H         -1.589154009         2.165661862        -1.448709320    
H         -2.427771602         1.737625266       -0.1954525502    
O         -1.408908732        -1.210139644         3.474365738    
H        -0.7143335274       -0.5862402383         3.186452475    
H         -1.133736227        -2.075540666         3.159710346    
O         0.8502524114        -2.837308057         2.395136340    
H          1.707605866        -2.725227218         1.916356092    
H         0.9511152334        -2.306791033         3.188711853    
O        -0.5678777478        -2.599868760        0.1021854137    
H         -1.533522982        -2.590195184        0.2284981433    
H        -0.1424572321        -2.788945566        0.9600250976    
O          3.068571216        -2.154621332        -1.589313796    
H          2.181811088        -2.527466081        -1.859095356    
H          3.730530270        -2.695917967        -2.018363266    
O          2.268416844        0.4335913855        -1.608483123    
H          2.708700373       -0.4303147927        -1.678854174    
H          1.472324908        0.2632283370        -1.053824990    
O        -0.7303424217        -1.107073401        -3.605372606    
H        -0.8527885668        -1.292308485        -4.536657522    
H        -0.2712259089       -0.2235106424        -3.562296101    
O         -3.245545436        -2.200925930        0.8558276956E-01
H         -3.197215807        -1.699832962       -0.7782420313    
H         -3.933043577        -2.857590018       -0.2438673819E-01
O          3.228980703        0.4446103271         2.148533499    
H          3.937696751        0.6721379665         2.749443791    
H          3.256965808         1.119476584         1.411481509    
O         -3.024656167         2.102738626         1.370871232    
H         -3.817469501         2.604667382         1.558508269    
H         -3.215545014         1.165675060         1.680713700    
O          3.114820791        -2.171810009         1.185340347    
H          3.214310615        -1.247736590         1.467613692    
H          3.108040165        -2.164778375        0.2132796576    
O         0.6300155810E-01   -0.4300076234E-01   -0.1849717311    
H        -0.7188358451        0.4414302235       -0.5244405139    
H        -0.1691465188       -0.9998067383       -0.1825644211    
O         0.7066049896        -3.038607849        -2.267788736    
H         0.2263747033        -2.369219178        -2.788262633    
H         0.2430864812        -3.068874903        -1.413375439    
O          3.214833473         2.181027132        0.1996528724    
H          2.437851795         2.762205747        0.2627092743    
H          3.020539861         1.592056568       -0.5582871005    
O         0.5241649851        0.3729074857         2.398728365    
H          1.493770769        0.3701636336         2.476892925    
H         0.3544246354        0.2144831406         1.439989174    
O         -3.041394862       -0.8513222215        -2.140571894    
H         -2.843108992        0.3895092535E-01    -1.802783702    
H         -2.257327472        -1.085471439        -2.669543740    
    63
Energy=    -106.836103218330    
O         0.5602016016         1.178495547        -3.542628961    
H         0.1355061069         1.924338105        -3.093786526    
H          1.318815070        0.9432102501        -2.969091998    
O        -0.5135258963         2.849329948         2.225528730    
H         -1.429473239         2.654675240         1.961764795    
H        -0.1210714464         1.976197950         2.440226934    
O        -0.3860530924         3.364960329        -2.016662877    
H        -0.3754289058         4.204860824        -2.475678036    
H         0.1524686554         3.475843647        -1.200387445    
O         0.9303435303         3.765096776        0.2885410422    
H         0.3608556092         3.391609251         1.030596709    
H          1.149818315         4.657712166        0.5574258173    
O         -3.544263331       -0.3248813247         2.101575973    
H         -2.847484974       -0.6204548545         2.724489102    
H         -3.503427960       -0.9563947681         1.362706078    
O         -2.033690332         1.413620223        -1.029509938    
H         -1.589098902         2.165588167        -1.448524013    
H         -2.427703055         1.737070791       -0.1953215541    
O         -1.404144866        -1.213537298         3.466705868    
H        -0.7122677162       -0.5821492663         3.188918053    
H         -1.115499672        -2.074358377         3.150917939    
O         0.8451005285        -2.841253808         2.392288029    
H          1.704148005        -2.722783114         1.916024012    
H         0.9538423107        -2.348746076         3.209514086    
O        -0.5703661803        -2.602009904        0.1005910154    
H         -1.535764331        -2.589710588        0.2277367561    
H        -0.1469417265        -2.794692030        0.9581132854    
O          3.068255187        -2.154575307        -1.587466622    
H          2.181625290        -2.527083657        -1.858167368    
H          3.730394159        -2.696593732        -2.015290619    
O          2.268544595        0.4337922078        -1.608469688    
H          2.708883025       -0.4300819530        -1.678616998    
H          1.472387123        0.2632872489        -1.053876102    
O        -0.7303410303        -1.106942481        -3.605234238    
H        -0.8528457850        -1.292443322        -4.536784039    
H        -0.2713110555       -0.2234537496        -3.562345818    
O         -3.246684590        -2.200248132        0.8473528513E-01
H         -3.198269355        -1.699268994       -0.7790326623    
H         -3.933816533        -2.857435859       -0.2526644353E-01
O          3.229809429        0.4469485209         2.148991770    
H          3.939206982        0.6733326444         2.749293504    
H          3.257619642         1.121529075         1.411630209    
O         -3.024738600         2.102785637         1.370909719    
H         -3.818187908         2.602762728         1.558269851    
H         -3.213258414         1.165166080         1.681630228    
O          3.107235713        -2.169127647         1.189371754    
H          3.209440709        -1.244915354         1.470391943    
H          3.102104001        -2.163374712        0.2172457382    
O         0.6313205561E-01   -0.4326597940E-01   -0.1854689960    
H        -0.7192348149        0.4405775757       -0.5245232573    
H        -0.1687170810        -1.000008671       -0.1812043609    
O         0.7065805640        -3.038418384        -2.268096388    
H         0.2262912180        -2.368832509        -2.788262082    
H         0.2426972639        -3.069098069        -1.413841421    
O          3.214632326         2.182217997        0.1990377135    
H          2.437424580         2.763089861        0.2621219120    
H          3.020213574         1.592915045       -0.5586190726    
O         0.5251361225        0.3785550309         2.397922342    
H          1.494628167        0.3749455087         2.476193976    
H         0.3560123478        0.2186042911         1.439453496    
O         -3.042128051       -0.8505766097        -2.141807153    
H         -2.843450452        0.3937663113E-01    -1.803363354    
H         -2.257653406        -1.085021163        -2.670026154    
    63
Energy=    -106.836262112430    
O         0.5601340137         1.178797133        -3.543384210    
H         0.1353550199         1.924483059        -3.094348722    
H          1.318415685        0.9432407368        -2.969638130    
O        -0.5175390605         2.860584845         2.223296941    
H         -1.432736154         2.662693466         1.959123357    
H        -0.1227776882         1.988509441         2.439181336    
O        -0.3864428471         3.364622979        -2.017834492    
H        -0.3780813104         4.204371406        -2.477128073    
H         0.1520577663         3.477025801        -1.201677020    
O         0.9305495086         3.768676784        0.2857008700    
H         0.3588977435         3.398684789         1.028160063    
H          1.151925940         4.661482939        0.5519135922    
O         -3.534779763       -0.3248850650         2.104711048    
H         -2.832347436       -0.6236668005         2.720079704    
H         -3.500502168       -0.9547903539         1.364302707    
O         -2.034036367         1.413194029        -1.029780208    
H         -1.588937309         2.165419180        -1.448058558    
H         -2.427508346         1.735883924       -0.1950813142    
O         -1.390531026        -1.221589036         3.451267113    
H        -0.7068824991       -0.5731207908         3.193023926    
H         -1.074456677        -2.070965233         3.129043952    
O         0.8338043528        -2.854100839         2.389824580    
H          1.691918486        -2.713911125         1.918043676    
H         0.9630800940        -2.447720157         3.254377908    
O        -0.5765165238        -2.607145883        0.9701461822E-01
H         -1.542304590        -2.588373585        0.2247444827    
H        -0.1563922496        -2.806853254        0.9526305209    
O          3.067441369        -2.154796985        -1.582342007    
H          2.181088569        -2.526136764        -1.856048487    
H          3.730001156        -2.698087772        -2.008102664    
O          2.268751978        0.4342520851        -1.608434649    
H          2.709323211       -0.4294857994        -1.678039255    
H          1.472442438        0.2634919512        -1.054066784    
O        -0.7304636473        -1.106865851        -3.605481920    
H        -0.8528760808        -1.292568314        -4.536556444    
H        -0.2714977960       -0.2232201208        -3.562513671    
O         -3.249752707        -2.198588431        0.8274637999E-01
H         -3.200878893        -1.697903765       -0.7810589080    
H         -3.935536170        -2.856915132       -0.2739353597E-01
O          3.232127696        0.4519967972         2.149602893    
H          3.943078005        0.6766282584         2.748961649    
H          3.259356837         1.126494969         1.412065199    
O         -3.024087517         2.102276977         1.370763585    
H         -3.820678131         2.598741259         1.557898456    
H         -3.207987294         1.164279373         1.683629669    
O          3.092201487        -2.162911642         1.197873775    
H          3.197212905        -1.238042268         1.477554215    
H          3.087985787        -2.160178831        0.2255691220    
O         0.6362247340E-01   -0.4423799696E-01   -0.1865979823    
H        -0.7200356583        0.4383928795       -0.5247681858    
H        -0.1679888223        -1.000718283       -0.1781169263    
O         0.7067345383        -3.037888107        -2.268648401    
H         0.2262141047        -2.367984584        -2.788301280    
H         0.2416986629        -3.069630996        -1.415039406    
O          3.214178100         2.184995727        0.1975350639    
H          2.436433507         2.765206930        0.2608107131    
H          3.019471620         1.594795615       -0.5593752259    
O         0.5270352059        0.3946698056         2.395900885    
H          1.496188722        0.3852713861         2.475415619    
H         0.3589162818        0.2274091906         1.438951668    
O         -3.043787968       -0.8489377165        -2.144432057    
H         -2.844291716        0.4037577978E-01    -1.804784834    
H         -2.258497747        -1.083970411        -2.671176453    
    63
Energy=    -106.836486105220    
O         0.5601494118         1.178861051        -3.543549722    
H         0.1353275171         1.924476182        -3.094496101    
H          1.318331302        0.9432657661        -2.969753276    
O        -0.5184776268         2.863373924         2.222787463    
H         -1.433412528         2.664693350         1.958465045    
H        -0.1231873298         1.991447059         2.438756672    
O        -0.3866100055         3.364571393        -2.018137340    
H        -0.3787350692         4.204254583        -2.477475762    
H         0.1519853428         3.477307469        -1.202046563    
O         0.9305863971         3.769680744        0.2849758255    
H         0.3583958146         3.400450358         1.027592332    
H          1.152421173         4.662369698        0.5505435588    
O         -3.532401220       -0.3250729491         2.105435586    
H         -2.828682588       -0.6244612088         2.719030747    
H         -3.499972644       -0.9543812876         1.364351561    
O         -2.034199760         1.413025861        -1.029793820    
H         -1.588884477         2.165374215        -1.447926594    
H         -2.427447227         1.735634423       -0.1950465691    
O         -1.385971746        -1.223689495         3.448361659    
H        -0.7053300587       -0.5711697623         3.193372798    
H         -1.064768371        -2.069699212         3.122975418    
O         0.8313320282        -2.858741071         2.391526493    
H          1.686825676        -2.710168839         1.920250523    
H         0.9667809409        -2.473425596         3.263070729    
O        -0.5783585999        -2.608464705        0.9609390307E-01
H         -1.544412066        -2.587952326        0.2234559627    
H        -0.1582860573        -2.809429651        0.9509680697    
O          3.067208885        -2.154976209        -1.580688102    
H          2.180894160        -2.525886230        -1.855540587    
H          3.729877695        -2.698433247        -2.006287105    
O          2.268767436        0.4343548811        -1.608432295    
H          2.709440157       -0.4293078576        -1.677879754    
H          1.472418576        0.2635736194        -1.054145707    
O        -0.7305510706        -1.106948981        -3.605809531    
H        -0.8528369422        -1.292514321        -4.536253791    
H        -0.2715390384       -0.2231164841        -3.562578235    
O         -3.250713748        -2.198162382        0.8223050813E-01
H         -3.201607353        -1.697532066       -0.7816531010    
H         -3.935910565        -2.856692708       -0.2795726264E-01
O          3.232851541        0.4530810235         2.149558060    
H          3.944214062        0.6776812397         2.748894016    
H          3.259892505         1.127828198         1.412203425    
O         -3.023518811         2.101858102         1.370607754    
H         -3.821695813         2.597935696         1.557895130    
H         -3.206693608         1.164186256         1.684076596    
O          3.089531189        -2.161421485         1.199710161    
H          3.193770466        -1.236153226         1.479656076    
H          3.084333524        -2.159385578        0.2271466905    
O         0.6383956939E-01   -0.4460972987E-01   -0.1868429657    
H        -0.7201882235        0.4377622878       -0.5248590766    
H        -0.1679390246        -1.001030090       -0.1773931546    
O         0.7068677208        -3.037719786        -2.268721672    
H         0.2262432634        -2.367788884        -2.788336595    
H         0.2414023823        -3.069774641        -1.415388476    
O          3.214068980         2.185704585        0.1971310609    
H          2.436187775         2.765763665        0.2605064403    
H          3.019293533         1.595213317       -0.5595613863    
O         0.5273763117        0.3999620010         2.395300057    
H          1.496391287        0.3875264710         2.475609046    
H         0.3592887410        0.2292970620         1.439153367    
O         -3.044175425       -0.8485784888        -2.144979833    
H         -2.844524746        0.4063624009E-01    -1.805172099    
H         -2.258752518        -1.083704623        -2.671476776    
    63
Energy=    -106.837308543960    
O         0.5596346388         1.178159132        -3.545524903    
H         0.1345716890         1.924437220        -3.097607347    
H          1.318637353        0.9442556256        -2.971713405    
O        -0.5351125016         2.922875011         2.211352194    
H         -1.445368341         2.706489630         1.945750610    
H        -0.1263908223         2.055403677         2.425400608    
O        -0.3910485907         3.363500293        -2.023926117    
H        -0.3914722609         4.202127095        -2.483920066    
H         0.1505475772         3.482283112        -1.209862695    
O         0.9283551773         3.786678205        0.2710679574    
H         0.3494362183         3.434805785         1.018017628    
H          1.161223643         4.680662747        0.5262795491    
O         -3.482628653       -0.3315701294         2.116799435    
H         -2.760511592       -0.6504446497         2.701060029    
H         -3.489402640       -0.9485518420         1.367406502    
O         -2.032946687         1.408641511        -1.028983348    
H         -1.588152551         2.161510652        -1.445498041    
H         -2.427079872         1.731768542       -0.1941889430    
O         -1.288866536        -1.255381281         3.395464141    
H        -0.6601183174       -0.5361929355         3.192975355    
H        -0.8839212462        -2.038476029         3.000595764    
O         0.7878051486        -2.955649687         2.462884421    
H          1.593157766        -2.641483679         1.972931714    
H          1.046296236        -2.977745184         3.392209916    
O        -0.6116928802        -2.618138753        0.7411551059E-01
H         -1.577542467        -2.584381108        0.1977033495    
H        -0.2086987079        -2.867183034        0.9215235657    
O          3.058734068        -2.158234101        -1.549031914    
H          2.177502924        -2.522912803        -1.841789155    
H          3.726489179        -2.701747358        -1.965951340    
O          2.267833127        0.4354108011        -1.610723123    
H          2.713092685       -0.4269531353        -1.671977162    
H          1.472057561        0.2654103046        -1.056296996    
O        -0.7314964713        -1.105530391        -3.605545391    
H        -0.8528080859        -1.292512087        -4.537570810    
H        -0.2724361717       -0.2216249289        -3.563950621    
O         -3.268289646        -2.187120912        0.6923397167E-01
H         -3.219984017        -1.687542570       -0.7963914421    
H         -3.945789014        -2.853849039       -0.3987580122E-01
O          3.247693329        0.4776738979         2.151162817    
H          3.965109958        0.6994673508         2.743215600    
H          3.272035850         1.150237252         1.413444311    
O         -3.026097176         2.101049118         1.367879293    
H         -3.830800029         2.578122414         1.554972956    
H         -3.182968457         1.161646567         1.692366304    
O          3.007201190        -2.129904895         1.239125542    
H          3.135714288        -1.206645233         1.506510237    
H          3.027144947        -2.133334883        0.2667646374    
O         0.6148372226E-01   -0.5885662267E-01   -0.1811489534    
H        -0.7172137701        0.4249001375       -0.5263087873    
H        -0.1734226143        -1.012482172       -0.1728574286    
O         0.7084076063        -3.032685019        -2.271591195    
H         0.2289042202        -2.363448099        -2.792200346    
H         0.2334851413        -3.075226491        -1.424127539    
O          3.211847845         2.199982055        0.1897533371    
H          2.431501544         2.776515970        0.2543770464    
H          3.016242889         1.604005809       -0.5616819367    
O         0.5325982229        0.4898309514         2.387786183    
H          1.497576727        0.4385806497         2.486487866    
H         0.3607399557        0.2759228607         1.441579321    
O         -3.050164585       -0.8427727542        -2.153401524    
H         -2.849967068        0.4641452178E-01    -1.812756306    
H         -2.264159554        -1.079429491        -2.678285552    
    63
Energy=    -106.837332245430    
O         0.5595699059         1.177445188        -3.545333448    
H         0.1343266586         1.924578851        -3.098026162    
H          1.318907773        0.9445870951        -2.972230794    
O        -0.5370618397         2.933179912         2.208861729    
H         -1.447232646         2.713770496         1.943946309    
H        -0.1250579942         2.067495548         2.422555122    
O        -0.3915015635         3.362265771        -2.023927971    
H        -0.3933992598         4.202897014        -2.485343605    
H         0.1498124434         3.482765395        -1.211320489    
O         0.9280984828         3.789530981        0.2692712578    
H         0.3480422135         3.439686344         1.017126147    
H          1.161839455         4.682357015        0.5232024857    
O         -3.473068206       -0.3322736256         2.121168116    
H         -2.751811957       -0.6578500299         2.698490299    
H         -3.486663822       -0.9504456949         1.367736153    
O         -2.031376978         1.407546015        -1.028199189    
H         -1.587804267         2.160284752        -1.445577959    
H         -2.427144128         1.731064832       -0.1942587704    
O         -1.276209997        -1.255010857         3.383410085    
H        -0.6494345024       -0.5326464101         3.193347315    
H        -0.8580041058        -2.032198424         2.986234915    
O         0.7807312868        -2.963840023         2.475817774    
H          1.583259650        -2.640320595         1.989977728    
H          1.060106277        -3.050504883         3.393795124    
O        -0.6125792004        -2.617455075        0.7514364581E-01
H         -1.580434148        -2.584620586        0.1938424172    
H        -0.2213098855        -2.879447889        0.9178819355    
O          3.057629903        -2.156914841        -1.544750267    
H          2.176081057        -2.523722950        -1.838404911    
H          3.726034140        -2.701354030        -1.958536882    
O          2.267811207        0.4347287256        -1.611445353    
H          2.713416490       -0.4265958683        -1.670058580    
H          1.471621689        0.2651874920        -1.056204431    
O        -0.7316594603        -1.104635427        -3.605021094    
H        -0.8528925083        -1.292600518        -4.538663872    
H        -0.2725815199       -0.2216422169        -3.563981081    
O         -3.269909282        -2.185378980        0.6588186595E-01
H         -3.224029907        -1.685445951       -0.7987902365    
H         -3.948215191        -2.853789024       -0.4200582562E-01
O          3.249265386        0.4822825929         2.152885909    
H          3.967948007        0.7025983724         2.741610898    
H          3.273791797         1.152487011         1.412245240    
O         -3.026293964         2.100604031         1.366742578    
H         -3.833109066         2.576515706         1.554708417    
H         -3.180151067         1.161312107         1.693297751    
O          2.980934566        -2.124492082         1.243916496    
H          3.132115554        -1.201779209         1.508615926    
H          3.023619599        -2.128574970        0.2752856089    
O         0.6093019407E-01   -0.6171255953E-01   -0.1773450465    
H        -0.7159796566        0.4235994662       -0.5261728416    
H        -0.1764057485        -1.015495387       -0.1751364654    
O         0.7081554862        -3.032829267        -2.272421427    
H         0.2294308478        -2.361858075        -2.794019764    
H         0.2318365290        -3.076433857        -1.426984324    
O          3.211594835         2.202449889        0.1889072347    
H          2.430736646         2.778108471        0.2534093699    
H          3.015848849         1.605497460       -0.5619160124    
O         0.5323345247        0.4951023624         2.388586247    
H          1.497636813        0.4493619587         2.488699755    
H         0.3608417261        0.2869707598         1.440776559    
O         -3.050982850       -0.8418632285        -2.154868473    
H         -2.850670083        0.4725169221E-01    -1.813616368    
H         -2.264824084        -1.079023170        -2.679307290    
    63
Energy=    -106.837407760830    
O         0.5594529065         1.177865822        -3.545779319    
H         0.1342576890         1.924166828        -3.098137321    
H          1.318799937        0.9445415292        -2.972604737    
O        -0.5389476577         2.943465154         2.205374267    
H         -1.448958795         2.722153690         1.942272908    
H        -0.1235904504         2.079558233         2.421989346    
O        -0.3915743134         3.362449747        -2.026014887    
H        -0.3957099277         4.202357024        -2.486035026    
H         0.1484928993         3.483072445        -1.211796978    
O         0.9295896654         3.791841466        0.2674364605    
H         0.3457649117         3.445126474         1.014565777    
H          1.162578332         4.684996347        0.5200066901    
O         -3.465444782       -0.3374084776         2.123807280    
H         -2.737363115       -0.6668688486         2.697056825    
H         -3.480554284       -0.9516086566         1.372258923    
O         -2.030094592         1.405912989        -1.027999449    
H         -1.586364637         2.159222869        -1.446291012    
H         -2.426407691         1.728804305       -0.1945935993    
O         -1.271391380        -1.252275483         3.359433917    
H        -0.6384768934       -0.5275312416         3.197425345    
H        -0.8270797614        -2.025614810         2.987280904    
O         0.7709907381        -2.964183232         2.482170570    
H          1.578080778        -2.656030907         2.009255463    
H          1.065470630        -3.120987706         3.380072830    
O        -0.6149432703        -2.626708689        0.7903503769E-01
H         -1.585813434        -2.580877192        0.1866848232    
H        -0.2278662321        -2.898362877        0.9255081356    
O          3.056783117        -2.154593037        -1.540077693    
H          2.175613996        -2.523442601        -1.832093498    
H          3.726406473        -2.701045669        -1.950522673    
O          2.266366023        0.4349703046        -1.608678328    
H          2.712153776       -0.4270315227        -1.667401917    
H          1.470449346        0.2628071246        -1.054369565    
O        -0.7326220641        -1.105421908        -3.607663558    
H        -0.8525948019        -1.291712235        -4.537436682    
H        -0.2726102210       -0.2213453616        -3.563610106    
O         -3.271885124        -2.187741522        0.6162242729E-01
H         -3.228606494        -1.683443700       -0.8005747838    
H         -3.950948155        -2.852204358       -0.4511844215E-01
O          3.250916136        0.4873597023         2.153629467    
H          3.972846409        0.7066811579         2.742077045    
H          3.273850933         1.154739098         1.410222664    
O         -3.024784397         2.099271842         1.365922764    
H         -3.837365039         2.575641485         1.555037053    
H         -3.176647440         1.161181638         1.693925184    
O          2.951683828        -2.109747399         1.247112074    
H          3.127749325        -1.192904497         1.521194868    
H          3.016484294        -2.132589782        0.2762787026    
O         0.6361198862E-01   -0.6144454547E-01   -0.1802006426    
H        -0.7154420007        0.4236841149       -0.5228468711    
H        -0.1775465066        -1.013841190       -0.1735790615    
O         0.7069520331        -3.034825571        -2.276929223    
H         0.2308172746        -2.360278853        -2.794920093    
H         0.2294123696        -3.075949999        -1.430909578    
O          3.211334875         2.204949324        0.1870347051    
H          2.429735023         2.780168165        0.2524672037    
H          3.015025832         1.607226251       -0.5631731392    
O         0.5323744976        0.5058210472         2.389401602    
H          1.497095081        0.4609997538         2.486361718    
H         0.3655146819        0.2974509037         1.442084902    
O         -3.053842283       -0.8387708622        -2.160099762    
H         -2.849727121        0.4713720498E-01    -1.813711900    
H         -2.264941833        -1.078073705        -2.679328556    
    63
Energy=    -106.837653915820    
O         0.5647350651         1.176320800        -3.543905035    
H         0.1374785072         1.924226643        -3.100283215    
H          1.314254469        0.9384901148        -2.960327910    
O        -0.5680718531         3.044449474         2.176554138    
H         -1.471450702         2.786181780         1.924454747    
H        -0.1303079563         2.199724132         2.420965941    
O        -0.4000608894         3.360247124        -2.036361199    
H        -0.4232104207         4.199170919        -2.497769427    
H         0.1446597020         3.491429746        -1.226885219    
O         0.9370210904         3.823505413        0.2418439499    
H         0.3311056473         3.509020897        0.9850867697    
H          1.180713298         4.720847149        0.4734778196    
O         -3.390676364       -0.3771549311         2.117539742    
H         -2.633079090       -0.6967837457         2.653062365    
H         -3.436420400       -0.9849614423         1.361422820    
O         -2.013714262         1.388794455        -1.020377559    
H         -1.573484418         2.144253137        -1.437921150    
H         -2.412027936         1.709756841       -0.1872660166    
O         -1.134624913        -1.214904127         3.357996225    
H        -0.5775023039       -0.4414578279         3.150100426    
H        -0.5809806481        -1.972888927         3.117168342    
O         0.7025953836        -3.136173751         2.450634505    
H          1.510454563        -2.717131081         2.051551701    
H          1.019103176        -3.747552572         3.115149375    
O        -0.6274611114        -2.673997600        0.9952485109E-01
H         -1.597605960        -2.608418957        0.1805654284    
H        -0.2803757655        -2.981571519        0.9523930835    
O          3.038140656        -2.155351369        -1.472238406    
H          2.164047820        -2.520329012        -1.788680593    
H          3.719773785        -2.697832450        -1.868276054    
O          2.248373406        0.4279263348        -1.587053507    
H          2.700918672       -0.4309379651        -1.632272902    
H          1.454854798        0.2518141906        -1.029958237    
O        -0.7329886115        -1.103567340        -3.616183998    
H        -0.8550625436        -1.281660915        -4.548997877    
H        -0.2707304547       -0.2219904551        -3.567305359    
O         -3.291708801        -2.190853789        0.1309512756E-01
H         -3.249169867        -1.678877814       -0.8440491028    
H         -3.984335365        -2.842536551       -0.8896886973E-01
O          3.282258476        0.5469482780         2.157364604    
H          4.016550997        0.7701815261         2.730021463    
H          3.303084668         1.198053771         1.399669686    
O         -3.019278137         2.076017427         1.374706184    
H         -3.846079419         2.522318003         1.557159853    
H         -3.142052044         1.131234613         1.696741131    
O          2.813089904        -2.068411486         1.324134489    
H          2.995572077        -1.151206251         1.591000638    
H          2.866705902        -2.095616725        0.3566326623    
O         0.6882858860E-01   -0.9492928620E-01   -0.1471046107    
H        -0.7159517621        0.3826118953       -0.4873171738    
H        -0.1702030451        -1.046478472       -0.9378714490E-01
O         0.7025471147        -3.031395318        -2.272448907    
H         0.2392061998        -2.352694768        -2.797482381    
H         0.2161589120        -3.070170215        -1.431217642    
O          3.207497188         2.227483384        0.1641701660    
H          2.426799437         2.803684039        0.2347473778    
H          2.997027437         1.616258256       -0.5713999777    
O         0.5782902141        0.6534803453         2.380345733    
H          1.544059584        0.5996188877         2.476616414    
H         0.4010289446        0.3863591971         1.451085488    
O         -3.073165223       -0.8110855994        -2.198992904    
H         -2.847135403        0.6052454677E-01    -1.829678674    
H         -2.281508908        -1.061253457        -2.708962715    
    63
Energy=    -106.837673823430    
O         0.5657151458         1.176306917        -3.543379593    
H         0.1373804599         1.924022842        -3.100620883    
H          1.314220791        0.9376662758        -2.958676767    
O        -0.5710198002         3.047800827         2.178539527    
H         -1.472521389         2.787761538         1.922697928    
H        -0.1296290385         2.203500451         2.419594423    
O        -0.4012476246         3.360728926        -2.036575476    
H        -0.4247143395         4.198288587        -2.497977022    
H         0.1459669006         3.492873106        -1.228108891    
O         0.9351410901         3.827528820        0.2382908339    
H         0.3325733938         3.511846137        0.9842253361    
H          1.181888312         4.721801094        0.4708460639    
O         -3.384548591       -0.3814210335         2.114424744    
H         -2.631178284       -0.7000181122         2.656535915    
H         -3.432244501       -0.9890211719         1.357486865    
O         -2.011768854         1.386949118        -1.017449689    
H         -1.572027789         2.142041868        -1.437056749    
H         -2.411423306         1.709494990       -0.1857393909    
O         -1.126163106        -1.207626141         3.369267753    
H        -0.5664319495       -0.4402859057         3.149705840    
H        -0.5871599671        -1.973457753         3.120529564    
O         0.6931005191        -3.144807208         2.444552693    
H          1.497014589        -2.718506948         2.052529868    
H          1.022183062        -3.765560960         3.094220994    
O        -0.6294137526        -2.672130403        0.9664853447E-01
H         -1.600222714        -2.611755470        0.1808596121    
H        -0.2756711202        -2.973007413        0.9488782506    
O          3.034260354        -2.157091061        -1.463784416    
H          2.163520910        -2.521423659        -1.790213502    
H          3.716234238        -2.696509146        -1.863003412    
O          2.247240662        0.4265607022        -1.584328693    
H          2.701759003       -0.4314891566        -1.631867507    
H          1.451962718        0.2519923623        -1.029249313    
O        -0.7324258896        -1.103802091        -3.617465402    
H        -0.8551630910        -1.281638264        -4.549819841    
H        -0.2708706802       -0.2215293268        -3.567408564    
O         -3.291624424        -2.190023957        0.1157258223E-01
H         -3.248726250        -1.680293776       -0.8466012059    
H         -3.985488315        -2.840418920       -0.9347243455E-01
O          3.285168738        0.5471955756         2.154870767    
H          4.016933879        0.7725899237         2.728465153    
H          3.305963293         1.201377203         1.399744438    
O         -3.018283901         2.073786529         1.373088501    
H         -3.846953746         2.519137104         1.558066242    
H         -3.140077649         1.130188536         1.696750094    
O          2.819495325        -2.069247873         1.328537959    
H          2.991329217        -1.150138035         1.593495059    
H          2.864178156        -2.091889275        0.3579142788    
O         0.6701899764E-01   -0.9758988400E-01   -0.1356135087    
H        -0.7148124160        0.3764216197       -0.4871483149    
H        -0.1711753130        -1.050475043       -0.9130327842E-01
O         0.7048432397        -3.028561976        -2.268074368    
H         0.2370587989        -2.354413485        -2.793744394    
H         0.2141472974        -3.068604198        -1.428663925    
O          3.208306240         2.228815862        0.1624438661    
H          2.427555394         2.804470523        0.2331040422    
H          2.995871495         1.616786675       -0.5719602789    
O         0.5795909492        0.6615532587         2.377176812    
H          1.543660632        0.6055754670         2.480866520    
H         0.4015462698        0.3886486439         1.448692548    
O         -3.071844934       -0.8119541968        -2.197597479    
H         -2.848536595        0.6193461054E-01    -1.831566939    
H         -2.282949636        -1.060196648        -2.712642888    
    63
Energy=    -106.837793779230    
O         0.5738338152         1.165698799        -3.536092184    
H         0.1418861492         1.918866070        -3.106644285    
H          1.304883310        0.9220733950        -2.930781706    
O        -0.5862758203         3.096422512         2.153375466    
H         -1.485421419         2.819870081         1.905013783    
H        -0.1391059310         2.261147510         2.409930366    
O        -0.4110604683         3.352426779        -2.042747569    
H        -0.4680459707         4.185522595        -2.510759609    
H         0.1433035487         3.509650392        -1.244284018    
O         0.9347006022         3.867205884        0.2102717436    
H         0.3317929350         3.557683039        0.9560785153    
H          1.188697284         4.761663275        0.4372578628    
O         -3.276831295       -0.4196911980         2.121348954    
H         -2.520841177       -0.7082067700         2.680679213    
H         -3.310701993        -1.041705420         1.377091384    
O         -1.992129755         1.366379876        -1.006448408    
H         -1.544298479         2.119174848        -1.421089196    
H         -2.396138223         1.688819811       -0.1759759011    
O         -1.067164919        -1.177442915         3.430686812    
H        -0.4762057437       -0.4308013655         3.221259375    
H        -0.5866045613        -1.964519971         3.135712669    
O         0.6234365860        -3.161775224         2.381579457    
H          1.447583674        -2.717810437         2.047625941    
H         0.9120386595        -3.959209549         2.824541661    
O        -0.6570962082        -2.681130950        0.6301029250E-01
H         -1.628130376        -2.627370925        0.1313563382    
H        -0.3074335215        -2.968004043        0.9255314339    
O          3.006548135        -2.165712541        -1.390579577    
H          2.134783725        -2.516576542        -1.732304882    
H          3.687169836        -2.715859739        -1.776326883    
O          2.220077580        0.4197252190        -1.556672768    
H          2.678060102       -0.4366970948        -1.592479213    
H          1.429966317        0.2502652392       -0.9910939818    
O        -0.7316000885        -1.106289702        -3.630486791    
H        -0.8381976776        -1.287256602        -4.564642790    
H        -0.2709845218       -0.2238556138        -3.575886630    
O         -3.301738130        -2.208338324       -0.2877048220E-01
H         -3.245786844        -1.684809198       -0.8791122531    
H         -4.025403363        -2.823677248       -0.1387233423    
O          3.304217211        0.5714918588         2.135723109    
H          4.037780449        0.7994014520         2.705733855    
H          3.318025259         1.225431388         1.381054375    
O         -3.013103573         2.041949053         1.375891724    
H         -3.856681978         2.449530696         1.570820691    
H         -3.091936187         1.092358728         1.699356037    
O          2.794382084        -2.062167481         1.387563453    
H          2.972309191        -1.143963184         1.649439250    
H          2.856267326        -2.088377437        0.4169972479    
O         0.6268856770E-01   -0.1023038828       -0.9249745313E-01
H        -0.7113667901        0.3748757668       -0.4587550102    
H        -0.1733164328        -1.056040995       -0.7250659127E-01
O         0.6959711610        -3.019253051        -2.250690946    
H         0.2318941372        -2.350529335        -2.786800989    
H         0.1888051480        -3.062954135        -1.420336601    
O          3.211251392         2.251402514        0.1354678129    
H          2.436040178         2.832936572        0.2100870564    
H          2.981537641         1.625359885       -0.5823943322    
O         0.5940573512        0.7139832821         2.394713140    
H          1.560142594        0.6646457902         2.477334072    
H         0.3989385849        0.4148480221         1.477284930    
O         -3.070144238       -0.8049136999        -2.217146898    
H         -2.838519887        0.6122685331E-01    -1.837279496    
H         -2.284293859        -1.054035012        -2.735997749    
    63
Energy=    -106.837800386730    
O         0.5735515714         1.163186735        -3.534935143    
H         0.1419445470         1.917180045        -3.106676533    
H          1.304753859        0.9196161626        -2.929988341    
O        -0.5833527826         3.096642811         2.143086999    
H         -1.482937859         2.820642168         1.898262103    
H        -0.1357572039         2.263754116         2.407599677    
O        -0.4108398149         3.350073577        -2.046553443    
H        -0.4831920414         4.182379597        -2.513337600    
H         0.1423972348         3.512470461        -1.248198644    
O         0.9387398010         3.873843079        0.2081751927    
H         0.3307095797         3.564229180        0.9503638823    
H          1.184938200         4.771405758        0.4322265913    
O         -3.254808717       -0.4262570908         2.124794524    
H         -2.498691763       -0.7200269986         2.682342393    
H         -3.291159258        -1.046946250         1.379609378    
O         -1.987631000         1.366532346        -1.004216116    
H         -1.547440654         2.122708699        -1.421298897    
H         -2.398825461         1.688582331       -0.1770532276    
O         -1.055215713        -1.180238028         3.448806786    
H        -0.4694434766       -0.4288781176         3.243940595    
H        -0.5700529180        -1.959483537         3.140864278    
O         0.6098757086        -3.152202123         2.371550983    
H          1.437551214        -2.707959350         2.045952411    
H         0.8919525350        -3.971841706         2.775457749    
O        -0.6645512433        -2.675286690        0.4851865919E-01
H         -1.636360627        -2.630063710        0.1169962050    
H        -0.3134301187        -2.957309521        0.9130363225    
O          2.999729958        -2.170370799        -1.374323071    
H          2.129979939        -2.517681867        -1.724788916    
H          3.679964915        -2.723112199        -1.756956938    
O          2.218342488        0.4177765929        -1.549826240    
H          2.674787120       -0.4391382794        -1.582103918    
H          1.428825221        0.2490861274       -0.9827716068    
O        -0.7299463802        -1.109387244        -3.634656808    
H        -0.8323824989        -1.291242228        -4.568736071    
H        -0.2691220975       -0.2270464593        -3.578619391    
O         -3.309968068        -2.207896661       -0.3095181130E-01
H         -3.254428658        -1.682495667       -0.8794202345    
H         -4.035716313        -2.821261952       -0.1401457056    
O          3.300623517        0.5792528014         2.133560150    
H          4.039658848        0.8017157441         2.698408440    
H          3.319498381         1.225788885         1.372201165    
O         -3.011363246         2.037567362         1.374883452    
H         -3.859402279         2.435357201         1.571298108    
H         -3.072881742         1.088223564         1.702798332    
O          2.803692155        -2.064784315         1.404729599    
H          2.976727937        -1.143163011         1.658289921    
H          2.852762389        -2.094120237        0.4337809372    
O         0.5905636362E-01   -0.1032745330       -0.8511874699E-01
H        -0.7133527780        0.3770049381       -0.4511805927    
H        -0.1817767505        -1.056346963       -0.7163188111E-01
O         0.6982605718        -3.019926325        -2.256279885    
H         0.2373560429        -2.349366590        -2.791973898    
H         0.1859929192        -3.062639276        -1.428882461    
O          3.209140374         2.255940478        0.1348776946    
H          2.436073040         2.841254063        0.2040880150    
H          2.981402354         1.631296829       -0.5843868424    
O         0.5914920770        0.7124481522         2.407135201    
H          1.558614158        0.6664311666         2.483229035    
H         0.3964011610        0.4156556865         1.489561618    
O         -3.068726623       -0.8037975859        -2.222315944    
H         -2.833669873        0.5993929109E-01    -1.839978011    
H         -2.281857121        -1.053683036        -2.739609998    
    63
Energy=    -106.837811646850    
O         0.5759309688         1.161464436        -3.534720990    
H         0.1412536775         1.912433925        -3.104475917    
H          1.307312134        0.9181544739        -2.930141038    
O        -0.5758892658         3.093492908         2.138027304    
H         -1.474068871         2.817175294         1.887604060    
H        -0.1290352566         2.259888975         2.402197168    
O        -0.4133150664         3.350246068        -2.050248458    
H        -0.4970065185         4.184183278        -2.512331853    
H         0.1438810871         3.515437290        -1.255255799    
O         0.9352522282         3.881649946        0.2004576515    
H         0.3350849699         3.564006996        0.9460602887    
H          1.178499044         4.778770860        0.4298267285    
O         -3.236963254       -0.4303201822         2.125307027    
H         -2.485221405       -0.7304119382         2.684811260    
H         -3.280271498        -1.048220095         1.378089182    
O         -1.992579310         1.368907775        -1.010456779    
H         -1.549201090         2.124574616        -1.425602952    
H         -2.402985038         1.688051809       -0.1819302822    
O         -1.046831738        -1.184203561         3.474369601    
H        -0.4668999006       -0.4275848014         3.272695181    
H        -0.5560261886        -1.958010481         3.161558055    
O         0.6039908150        -3.139231650         2.353828067    
H          1.437450152        -2.694507063         2.041722995    
H         0.8736981392        -3.976177284         2.728810424    
O        -0.6702629800        -2.672682627        0.3501855015E-01
H         -1.641453019        -2.624774319        0.1064426228    
H        -0.3159005595        -2.938718343        0.9042648576    
O          2.992183855        -2.175894676        -1.356694297    
H          2.127150279        -2.523588524        -1.718186439    
H          3.678655069        -2.725462663        -1.733106636    
O          2.215134743        0.4116109398        -1.542629802    
H          2.674348523       -0.4443046573        -1.569781621    
H          1.426101770        0.2432421771       -0.9751664528    
O        -0.7261917659        -1.113540097        -3.640895074    
H        -0.8265725548        -1.295654369        -4.575183378    
H        -0.2660602654       -0.2312255082        -3.582829959    
O         -3.320284640        -2.205974516       -0.3153738018E-01
H         -3.266183484        -1.679387386       -0.8790986261    
H         -4.049310464        -2.816296748       -0.1385791151    
O          3.295146256        0.5795508043         2.129721986    
H          4.036985015        0.8003113388         2.691742806    
H          3.308471527         1.229569289         1.371680647    
O         -3.007210085         2.033671550         1.379812389    
H         -3.860822890         2.421466091         1.571718870    
H         -3.061005637         1.085317308         1.711252062    
O          2.809424012        -2.065023229         1.416968979    
H          2.987953026        -1.143299133         1.667274758    
H          2.860666915        -2.098823922        0.4458101544    
O         0.5328219604E-01   -0.1018985410       -0.7636470976E-01
H        -0.7149184117        0.3864269613       -0.4407914188    
H        -0.1920795900        -1.054127915       -0.7628439810E-01
O         0.7008277911        -3.022635995        -2.269041985    
H         0.2424187331        -2.350984678        -2.806401824    
H         0.1842598274        -3.064451265        -1.444563340    
O          3.210196939         2.263779261        0.1302506974    
H          2.436671361         2.848051153        0.2011848514    
H          2.981163699         1.638837412       -0.5882792840    
O         0.5904556287        0.7120756880         2.415364114    
H          1.557193718        0.6631553700         2.494707765    
H         0.3955106274        0.4106668203         1.499264431    
O         -3.066326436       -0.8027339794        -2.221992445    
H         -2.828278002        0.6163051538E-01    -1.842712077    
H         -2.280888442        -1.056893579        -2.739051723    
    63
Energy=    -106.837813281600    
O         0.5775007641         1.160204464        -3.534300017    
H         0.1416886961         1.911205956        -3.104219083    
H          1.308157788        0.9174597371        -2.929134497    
O        -0.5720139836         3.091001693         2.136566388    
H         -1.470826101         2.815269318         1.887503269    
H        -0.1271055577         2.256622937         2.401496653    
O        -0.4143200051         3.351298726        -2.051009494    
H        -0.4991237311         4.186294277        -2.511509573    
H         0.1435310816         3.515596224        -1.256437977    
O         0.9361602405         3.881529703        0.1998870333    
H         0.3354261070         3.561834761        0.9446111139    
H          1.176184210         4.779206535        0.4293470656    
O         -3.237460069       -0.4304917595         2.126216892    
H         -2.486110598       -0.7315025343         2.685459969    
H         -3.281800516        -1.047413814         1.378378009    
O         -1.994762021         1.370726120        -1.011592518    
H         -1.550727564         2.125487506        -1.426919492    
H         -2.404911591         1.690596551       -0.1829366405    
O         -1.047395460        -1.185773063         3.481479561    
H        -0.4702835753       -0.4273629482         3.277204927    
H        -0.5551393861        -1.958780877         3.169169608    
O         0.6058998083        -3.134457597         2.350794895    
H          1.441393804        -2.692450760         2.040632635    
H         0.8744848615        -3.972757329         2.725372133    
O        -0.6709794175        -2.670872703        0.3244124520E-01
H         -1.641656427        -2.622465025        0.1063411129    
H        -0.3160966544        -2.934963811        0.9019493290    
O          2.992427675        -2.178230671        -1.354239635    
H          2.128179148        -2.525826613        -1.718203837    
H          3.680834628        -2.725459216        -1.729154102    
O          2.215281644        0.4108034925        -1.541393444    
H          2.673844655       -0.4454346661        -1.567335370    
H          1.425381505        0.2425581409       -0.9752684536    
O        -0.7257004680        -1.113940869        -3.642751057    
H        -0.8255941904        -1.295514793        -4.576962000    
H        -0.2648758485       -0.2319420628        -3.584945780    
O         -3.322957058        -2.203524936       -0.3043148007E-01
H         -3.267496831        -1.679327273       -0.8793518310    
H         -4.052461953        -2.814403172       -0.1362679312    
O          3.293877959        0.5784488982         2.128219786    
H          4.035660734        0.7997415858         2.691060880    
H          3.304601978         1.231666610         1.372804280    
O         -3.005963103         2.033422916         1.379845885    
H         -3.859442982         2.421916958         1.571769589    
H         -3.060357432         1.085146224         1.711435609    
O          2.814505135        -2.065551360         1.417328053    
H          2.988990690        -1.143183442         1.667386950    
H          2.863431642        -2.098247647        0.4457731265    
O         0.5121591411E-01   -0.9881579201E-01   -0.7552170938E-01
H        -0.7165935627        0.3891946247       -0.4411594419    
H        -0.1929448031        -1.051021322       -0.7864249621E-01
O         0.7026476400        -3.023464826        -2.272559305    
H         0.2445238908        -2.353274181        -2.812497945    
H         0.1838767305        -3.066903779        -1.449842689    
O          3.208296737         2.262793912        0.1313897825    
H          2.436703044         2.850118776        0.2006709779    
H          2.980934990         1.639002275       -0.5886567434    
O         0.5895261662        0.7089625443         2.417627541    
H          1.556250306        0.6601028514         2.496190641    
H         0.3954933671        0.4063314497         1.501719916    
O         -3.066378382       -0.8030950026        -2.221254292    
H         -2.827674706        0.6207248966E-01    -1.843118853    
H         -2.281248460        -1.059406810        -2.736947686    
    63
Energy=    -106.837821645080    
O         0.5845130568         1.154777500        -3.530326445    
H         0.1481794080         1.909346669        -3.108538994    
H          1.309479505        0.9110716578        -2.918209726    
O        -0.5541978645         3.076009951         2.137277687    
H         -1.454473073         2.804300703         1.888894050    
H        -0.1126751706         2.239170237         2.401895960    
O        -0.4211337017         3.356808570        -2.063720397    
H        -0.5134300200         4.195203255        -2.516145326    
H         0.1363732679         3.518076875        -1.268074898    
O         0.9308007127         3.878729682        0.1875330843    
H         0.3403687136         3.553499485        0.9379020173    
H          1.166089420         4.778323244        0.4162472206    
O         -3.242810046       -0.4250478088         2.145522393    
H         -2.499082351       -0.7315187900         2.711547688    
H         -3.281945989        -1.041561883         1.396704597    
O         -2.009680360         1.383362661        -1.025950960    
H         -1.562830141         2.136893116        -1.441368652    
H         -2.412272076         1.702227599       -0.1936355579    
O         -1.061463981        -1.204107403         3.503532398    
H        -0.4829222041       -0.4458352475         3.303800695    
H        -0.5721913068        -1.974405781         3.179842014    
O         0.6129660364        -3.128216891         2.336579728    
H          1.449081452        -2.684099229         2.029873499    
H         0.8815150441        -3.965009850         2.715557685    
O        -0.6659524442        -2.658032823        0.1751299261E-01
H         -1.636093679        -2.617026628        0.9906633155E-01
H        -0.3017554871        -2.923943815        0.8828015878    
O          2.999263379        -2.186141684        -1.352997632    
H          2.138300652        -2.536252159        -1.721048484    
H          3.691238378        -2.735427799        -1.720005667    
O          2.212484683        0.4031902111        -1.529370030    
H          2.665419605       -0.4558835487        -1.555483507    
H          1.417617188        0.2429467848       -0.9673750027    
O        -0.7194617300        -1.119431061        -3.654183869    
H        -0.8351904837        -1.286067774        -4.589769644    
H        -0.2572437739       -0.2388960299        -3.590149288    
O         -3.319638782        -2.191325035       -0.1993129329E-01
H         -3.260317622        -1.674269191       -0.8728588327    
H         -4.067058975        -2.781395271       -0.1131275077    
O          3.285863998        0.5880656510         2.137712878    
H          4.028745128        0.8095110982         2.698073081    
H          3.298049099         1.238130405         1.379294842    
O         -2.994136766         2.035383366         1.380786238    
H         -3.837574562         2.436567674         1.589414812    
H         -3.055694965         1.088534453         1.714468855    
O          2.829279567        -2.057416938         1.417134927    
H          2.999652961        -1.134017108         1.667757308    
H          2.879711879        -2.091581491        0.4459282732    
O         0.3556920041E-01   -0.8169501636E-01   -0.8027991496E-01
H        -0.7301877835        0.4068926288       -0.4499857702    
H        -0.2058091467        -1.034755518       -0.9005891117E-01
O         0.7120329557        -3.034065611        -2.283549325    
H         0.2567104236        -2.368802472        -2.830740181    
H         0.1909252694        -3.067824183        -1.461719266    
O          3.203351246         2.263835545        0.1335947487    
H          2.431194625         2.851198036        0.1951311436    
H          2.976699186         1.633686547       -0.5811348435    
O         0.5800292445        0.6812619630         2.428343725    
H          1.547451224        0.6376647570         2.500254288    
H         0.3790928609        0.3898811532         1.510381213    
O         -3.057456468       -0.8114535713        -2.224823746    
H         -2.826871624        0.5865870328E-01    -1.854289284    
H         -2.269985688        -1.066944970        -2.738005525    
    63
Energy=    -106.837822160230    
O         0.5857935664         1.153536070        -3.529702294    
H         0.1487548725         1.908063833        -3.108655598    
H          1.309963839        0.9112180521        -2.916030134    
O        -0.5526975081         3.076314020         2.136030168    
H         -1.453463282         2.804566242         1.889471747    
H        -0.1117482425         2.240069955         2.402964142    
O        -0.4225480799         3.356968520        -2.066131223    
H        -0.5152874671         4.195262974        -2.518624815    
H         0.1341532633         3.518563707        -1.270067112    
O         0.9304565937         3.878799015        0.1842725473    
H         0.3405596168         3.552810985        0.9347099679    
H          1.165008569         4.778379164        0.4136201698    
O         -3.239985258       -0.4246925891         2.147057095    
H         -2.496550563       -0.7313829195         2.713339437    
H         -3.279278109        -1.040231364         1.397346463    
O         -2.011339173         1.384362171        -1.027570154    
H         -1.564319853         2.138276883        -1.442524485    
H         -2.414006914         1.703110262       -0.1954085147    
O         -1.059452698        -1.207179906         3.504192764    
H        -0.4796178290       -0.4499317470         3.304463207    
H        -0.5723084084        -1.977998794         3.178793396    
O         0.6113188814        -3.131203486         2.334743244    
H          1.447191796        -2.685107909         2.030660446    
H         0.8802143088        -3.970710648         2.707150684    
O        -0.6659937993        -2.659585259        0.1521769527E-01
H         -1.635946707        -2.615959401        0.9762600246E-01
H        -0.3019705211        -2.924818822        0.8808527894    
O          2.999367748        -2.186461689        -1.351473122    
H          2.138871442        -2.537245852        -1.719721867    
H          3.692518452        -2.734672371        -1.717911514    
O          2.211561744        0.4019430511        -1.528314312    
H          2.664994372       -0.4570376468        -1.553000560    
H          1.416657581        0.2427994360       -0.9662662653    
O        -0.7186142148        -1.120051380        -3.655087722    
H        -0.8356557656        -1.286076377        -4.590591717    
H        -0.2559866176       -0.2397423307        -3.591059915    
O         -3.318355458        -2.186857487       -0.1819054904E-01
H         -3.258948076        -1.671127860       -0.8720130989    
H         -4.067069619        -2.775457332       -0.1100607126    
O          3.285733442        0.5897067078         2.138066677    
H          4.025803469        0.8141279592         2.700973703    
H          3.297474375         1.240106085         1.380010509    
O         -2.990909164         2.034808953         1.381963326    
H         -3.833134305         2.436526334         1.594116883    
H         -3.052091598         1.087894911         1.715958716    
O          2.826626058        -2.055733570         1.418805209    
H          2.995596007        -1.132181241         1.669329778    
H          2.878555592        -2.089823512        0.4476810156    
O         0.3309431853E-01   -0.8207978349E-01   -0.7930806799E-01
H        -0.7329342272        0.4062754973       -0.4482779722    
H        -0.2088868008        -1.034882709       -0.9033987855E-01
O         0.7122638043        -3.034762376        -2.284314588    
H         0.2592811327        -2.368007023        -2.831769458    
H         0.1895568307        -3.068015389        -1.463511051    
O          3.202361303         2.264498709        0.1332927153    
H          2.430276539         2.852280910        0.1935644855    
H          2.975884793         1.632987465       -0.5801556499    
O         0.5796303285        0.6807823912         2.430145436    
H          1.547208607        0.6385195889         2.501355240    
H         0.3784898021        0.3904492736         1.512036900    
O         -3.055451512       -0.8133487722        -2.225982134    
H         -2.827016149        0.5756570556E-01    -1.856146353    
H         -2.267144028        -1.068449686        -2.738092241    
    63
Energy=    -106.837822819380    
O         0.5868548197         1.153648964        -3.529516168    
H         0.1492064924         1.907893673        -3.108491235    
H          1.310500477        0.9105463623        -2.915584584    
O        -0.5512623247         3.076857519         2.135806786    
H         -1.452091008         2.804600738         1.889395008    
H        -0.1106780474         2.240501943         2.403206569    
O        -0.4240204070         3.357087345        -2.067643330    
H        -0.5157543215         4.195195294        -2.520679313    
H         0.1330724793         3.518719468        -1.271759307    
O         0.9294183087         3.878353252        0.1822695936    
H         0.3403845601         3.552092355        0.9333790728    
H          1.164408475         4.777919178        0.4113707797    
O         -3.238515047       -0.4232990099         2.147524780    
H         -2.495064808       -0.7302402099         2.713578786    
H         -3.277940752        -1.039424800         1.398223126    
O         -2.012146589         1.384307029        -1.027823961    
H         -1.566200181         2.138173488        -1.443701183    
H         -2.414966414         1.703314138       -0.1957614483    
O         -1.058526209        -1.209066242         3.503690066    
H        -0.4779581246       -0.4524826191         3.303414445    
H        -0.5722373291        -1.980962401         3.179576301    
O         0.6107767898        -3.134884235         2.333941450    
H          1.446038626        -2.687551967         2.029672493    
H         0.8802814905        -3.975890136         2.702355052    
O        -0.6665094159        -2.659873817        0.1496549107E-01
H         -1.636331721        -2.615558818        0.9837090512E-01
H        -0.3020088624        -2.926238944        0.8800742847    
O          2.999026106        -2.186106756        -1.350786895    
H          2.139457813        -2.538227946        -1.719965857    
H          3.693372131        -2.733040414        -1.716769619    
O          2.210457763        0.4016441582        -1.526232104    
H          2.664044501       -0.4571075470        -1.551830457    
H          1.415304043        0.2416561097       -0.9645719924    
O        -0.7182938283        -1.120459514        -3.655719424    
H        -0.8355920056        -1.286281597        -4.591253621    
H        -0.2549420868       -0.2406486883        -3.591146585    
O         -3.317888645        -2.183758865       -0.1651860333E-01
H         -3.257875536        -1.668949684       -0.8708616260    
H         -4.067092930        -2.771876090       -0.1073415954    
O          3.284573514        0.5912029289         2.138873452    
H          4.022755222        0.8173008059         2.703516608    
H          3.296533305         1.241492329         1.380670111    
O         -2.988938489         2.034878173         1.383014730    
H         -3.830130210         2.437214141         1.598039828    
H         -3.049843660         1.087750218         1.716803267    
O          2.824054151        -2.053861454         1.419981038    
H          2.993103451        -1.130132595         1.669995359    
H          2.877076671        -2.089203227        0.4490757961    
O         0.3143477811E-01   -0.8179114203E-01   -0.7871411200E-01
H        -0.7350200504        0.4059006761       -0.4482203002    
H        -0.2083207721        -1.035189337       -0.9038564454E-01
O         0.7132523274        -3.035275403        -2.285340402    
H         0.2617180386        -2.367304041        -2.832337691    
H         0.1896118280        -3.068885365        -1.465094910    
O          3.201611190         2.264485404        0.1333650262    
H          2.429948547         2.852749296        0.1923389319    
H          2.974883468         1.632280188       -0.5795983060    
O         0.5797446263        0.6810625188         2.430371686    
H          1.547417995        0.6398636190         2.501487358    
H         0.3785243288        0.3903925187         1.512316653    
O         -3.054152042       -0.8139523895        -2.226831552    
H         -2.826865799        0.5774059816E-01    -1.858347214    
H         -2.265169597        -1.068541573        -2.738326309    
    63
Energy=    -106.837823032680    
O         0.5869345063         1.153262559        -3.529529062    
H         0.1497743405         1.907882188        -3.108401566    
H          1.310738794        0.9102746755        -2.915401336    
O        -0.5503981727         3.076920688         2.136111877    
H         -1.450885421         2.804814959         1.888811889    
H        -0.1094996978         2.240454289         2.402559190    
O        -0.4250315866         3.356894731        -2.068489849    
H        -0.5156818054         4.194817157        -2.522148571    
H         0.1323151198         3.518330176        -1.272757809    
O         0.9290471375         3.877773604        0.1814822242    
H         0.3402276692         3.551945539        0.9329364157    
H          1.163752496         4.777543814        0.4100638724    
O         -3.237436756       -0.4227452391         2.148460535    
H         -2.493461998       -0.7296772250         2.713596381    
H         -3.277408024        -1.038254307         1.398781214    
O         -2.013500920         1.384008591        -1.027855975    
H         -1.567209927         2.137567305        -1.443939984    
H         -2.414844022         1.703099396       -0.1950244091    
O         -1.057805977        -1.210165269         3.503178863    
H        -0.4770216591       -0.4537729060         3.302349963    
H        -0.5720907618        -1.982389041         3.178915265    
O         0.6105738281        -3.137547805         2.334121306    
H          1.444928341        -2.688187463         2.030554606    
H         0.8817570481        -3.978953663         2.700287836    
O        -0.6668099894        -2.659971956        0.1460686959E-01
H         -1.636818321        -2.614904387        0.9867890373E-01
H        -0.3025547755        -2.927075217        0.8796689390    
O          2.998923717        -2.185942456        -1.349791297    
H          2.139577910        -2.538400467        -1.720363091    
H          3.693891153        -2.731786369        -1.716312392    
O          2.209357066        0.4017205678        -1.525397168    
H          2.663083637       -0.4569731216        -1.550936002    
H          1.414407339        0.2416271347       -0.9634675998    
O        -0.7166363491        -1.120901865        -3.655860238    
H        -0.8347700034        -1.286458103        -4.591313383    
H        -0.2545695887       -0.2402618215        -3.591623472    
O         -3.318012990        -2.182344121       -0.1570521343E-01
H         -3.257982978        -1.668142237       -0.8702329208    
H         -4.067447195        -2.770284316       -0.1060066546    
O          3.283083828        0.5922117077         2.139644638    
H          4.020601673        0.8189847484         2.704984102    
H          3.295776903         1.242075491         1.380703092    
O         -2.988114671         2.035901128         1.383331941    
H         -3.828913909         2.437924388         1.600490622    
H         -3.048433393         1.088527330         1.716560553    
O          2.822901967        -2.053161400         1.420463005    
H          2.992274144        -1.129399363         1.670115734    
H          2.876412029        -2.088851233        0.4495155812    
O         0.3131204817E-01   -0.8184391480E-01   -0.7876686498E-01
H        -0.7351306781        0.4054965194       -0.4483058876    
H        -0.2081546205        -1.035293252       -0.9057920501E-01
O         0.7142136672        -3.035314168        -2.285991505    
H         0.2626194125        -2.367256400        -2.833010131    
H         0.1899250684        -3.069919279        -1.466276244    
O          3.201366165         2.264654823        0.1331254204    
H          2.429613039         2.853037735        0.1919960725    
H          2.974163905         1.631837991       -0.5790163366    
O         0.5792955609        0.6807993729         2.430696487    
H          1.547210776        0.6402705163         2.501221159    
H         0.3780332021        0.3902451413         1.512512550    
O         -3.053684152       -0.8137669868        -2.226914582    
H         -2.826637116        0.5845882168E-01    -1.859177343    
H         -2.264634932        -1.068660131        -2.738421534    
    63
Energy=    -106.837823385980    
O         0.5877662359         1.153966435        -3.529825515    
H         0.1499254835         1.908076479        -3.108608817    
H          1.310226505        0.9100757385        -2.914724721    
O        -0.5482044436         3.076838318         2.135966869    
H         -1.448980818         2.805514238         1.888475143    
H        -0.1082343284         2.239565489         2.401973816    
O        -0.4264700618         3.355404928        -2.069793890    
H        -0.5149467796         4.192677532        -2.525074068    
H         0.1305311805         3.516961423        -1.273815655    
O         0.9282765740         3.877228682        0.1796940503    
H         0.3405474973         3.551645497        0.9323555865    
H          1.162663917         4.777403913        0.4068860593    
O         -3.234681225       -0.4202155116         2.149455566    
H         -2.490878840       -0.7288384642         2.714239885    
H         -3.276467411        -1.035598277         1.399723835    
O         -2.013196571         1.383110467        -1.026268640    
H         -1.568515608         2.136725148        -1.443908193    
H         -2.414835170         1.702680445       -0.1938873388    
O         -1.056575369        -1.212014508         3.502517493    
H        -0.4751406991       -0.4562240405         3.301301459    
H        -0.5718611851        -1.984893965         3.178597690    
O         0.6106736481        -3.140795730         2.332892175    
H          1.444557692        -2.689624463         2.030827374    
H         0.8827446117        -3.983349097         2.695760721    
O        -0.6668283598        -2.660513571        0.1412340669E-01
H         -1.636508668        -2.613691039        0.9832582055E-01
H        -0.3026493220        -2.928061413        0.8790810084    
O          2.998807134        -2.184671092        -1.348676101    
H          2.140219188        -2.537644995        -1.719607404    
H          3.694592001        -2.729046321        -1.715760971    
O          2.208243885        0.4019982485        -1.524668903    
H          2.661176423       -0.4572060566        -1.548961492    
H          1.412873850        0.2429784980       -0.9629507454    
O        -0.7150759505        -1.120482131        -3.655847412    
H        -0.8313736173        -1.287498838        -4.591243063    
H        -0.2528471753       -0.2398555430        -3.592182310    
O         -3.318774421        -2.180927057       -0.1528432743E-01
H         -3.258971088        -1.667331592       -0.8702121248    
H         -4.068913631        -2.768067886       -0.1048115456    
O          3.280842679        0.5937047717         2.139970896    
H          4.015888744        0.8222179199         2.707761637    
H          3.294245378         1.243615360         1.381213119    
O         -2.987065011         2.038261015         1.384231087    
H         -3.827039215         2.440525026         1.604432605    
H         -3.046518223         1.090883163         1.717608772    
O          2.821863611        -2.052758620         1.421279470    
H          2.991401795        -1.129130457         1.670919455    
H          2.875141100        -2.088366929        0.4503799018    
O         0.3076753635E-01   -0.8301145827E-01   -0.7831602615E-01
H        -0.7353170095        0.4046678879       -0.4483771154    
H        -0.2089173729        -1.036482369       -0.9029281292E-01
O         0.7152285035        -3.036090015        -2.286737590    
H         0.2631003081        -2.368234573        -2.833667719    
H         0.1909056339        -3.071114547        -1.467114871    
O          3.200762107         2.264791478        0.1330829699    
H          2.429220035         2.853437122        0.1920403257    
H          2.973260593         1.631728922       -0.5788819891    
O         0.5779650655        0.6798854924         2.430234381    
H          1.545919438        0.6399105803         2.500473711    
H         0.3764563530        0.3894793423         1.512115109    
O         -3.053667232       -0.8133382333        -2.227561998    
H         -2.826415507        0.5844394482E-01    -1.859089626    
H         -2.264413290        -1.068567110        -2.738278931    
    63
Energy=    -106.837823552040    
O         0.5883259920         1.154332054        -3.530125949    
H         0.1496822342         1.908039665        -3.109063096    
H          1.310418610        0.9106989426        -2.914566061    
O        -0.5469869352         3.076511926         2.136130158    
H         -1.448123965         2.806133663         1.888697706    
H        -0.1077260878         2.238760957         2.401834117    
O        -0.4275140756         3.354327274        -2.070145700    
H        -0.5140563413         4.190955168        -2.526938790    
H         0.1296205037         3.516122410        -1.274295711    
O         0.9278734333         3.876938935        0.1781583550    
H         0.3411698823         3.551325749        0.9316162460    
H          1.161790770         4.777392128        0.4047643844    
O         -3.233718808       -0.4186450382         2.149835515    
H         -2.489973892       -0.7279249636         2.714331109    
H         -3.275800813        -1.033813920         1.399972397    
O         -2.013333366         1.382597765        -1.025539849    
H         -1.568940995         2.136203058        -1.443516931    
H         -2.414774745         1.702896446       -0.1934192283    
O         -1.055872102        -1.213826250         3.502814462    
H        -0.4745787981       -0.4580814952         3.300947708    
H        -0.5716034000        -1.986780679         3.178398141    
O         0.6109743310        -3.141539293         2.331907740    
H          1.445108330        -2.690747193         2.029963802    
H         0.8827066601        -3.984762724         2.693530604    
O        -0.6669277287        -2.660892015        0.1367760416E-01
H         -1.636533145        -2.613821445        0.9823095411E-01
H        -0.3023438186        -2.928498834        0.8784522134    
O          2.998571638        -2.183905742        -1.348429385    
H          2.140269859        -2.537378733        -1.719411965    
H          3.695138340        -2.727033524        -1.715856507    
O          2.207595160        0.4023798739        -1.524322132    
H          2.660590990       -0.4568204130        -1.548245948    
H          1.412017094        0.2434265010       -0.9629081116    
O        -0.7143859547        -1.120331503        -3.655605857    
H        -0.8288877672        -1.288332791        -4.591101815    
H        -0.2519938416       -0.2397794590        -3.592196225    
O         -3.319205165        -2.179866197       -0.1507978693E-01
H         -3.259379489        -1.666944421       -0.8704517261    
H         -4.069576701        -2.766828635       -0.1040053873    
O          3.279544932        0.5942023067         2.140295516    
H          4.012703881        0.8243203129         2.709829566    
H          3.293236506         1.243994218         1.381478104    
O         -2.986368856         2.040212739         1.385235464    
H         -3.825752614         2.442893106         1.606565685    
H         -3.045618094         1.092987139         1.718942673    
O          2.821979286        -2.052775947         1.421811416    
H          2.991019826        -1.129080643         1.671598466    
H          2.874772178        -2.088145955        0.4508703144    
O         0.3051448830E-01   -0.8362732734E-01   -0.7842006018E-01
H        -0.7359221678        0.4039839868       -0.4478035873    
H        -0.2092360416        -1.037063374       -0.9028837393E-01
O         0.7158456221        -3.036355551        -2.286644462    
H         0.2633808934        -2.368847180        -2.833681205    
H         0.1914780401        -3.071718354        -1.467058315    
O          3.200435407         2.265190414        0.1332905270    
H          2.428756323         2.853523337        0.1917890113    
H          2.973094039         1.632164112       -0.5787808124    
O         0.5770053237        0.6786979040         2.429817082    
H          1.544990425        0.6388746669         2.499730303    
H         0.3753880018        0.3884793111         1.511674025    
O         -3.053562351       -0.8134311567        -2.227676855    
H         -2.826379731        0.5811187350E-01    -1.858578884    
H         -2.264410105        -1.068319583        -2.738523172    
    63
Energy=    -106.837823643740    
O         0.5889307346         1.154422511        -3.530555830    
H         0.1491320415         1.907669709        -3.109871480    
H          1.311232353        0.9118465565        -2.914803294    
O        -0.5450024588         3.076275731         2.135406873    
H         -1.447014763         2.807473878         1.889578916    
H        -0.1071737014         2.237970848         2.401663457    
O        -0.4286938801         3.353049805        -2.070509877    
H        -0.5128955682         4.188800313        -2.529310690    
H         0.1286949027         3.515195912        -1.274895193    
O         0.9275892809         3.876575782        0.1767692114    
H         0.3415321094         3.550999457        0.9309310547    
H          1.160414685         4.777599523        0.4021557255    
O         -3.232065901       -0.4166684508         2.149953587    
H         -2.489143434       -0.7272166820         2.714762380    
H         -3.274856154        -1.031767922         1.400079557    
O         -2.014447794         1.382328409        -1.024483429    
H         -1.569014792         2.135030011        -1.443001159    
H         -2.414934264         1.703582125       -0.1923551066    
O         -1.055451146        -1.216282437         3.503100714    
H        -0.4741394962       -0.4604754040         3.301474688    
H        -0.5712454404        -1.988890298         3.177866714    
O         0.6113639845        -3.142292256         2.330273380    
H          1.445810610        -2.691361883         2.029411473    
H         0.8823973284        -3.986079371         2.690960375    
O        -0.6677142244        -2.661632352        0.1296643574E-01
H         -1.637232610        -2.614726452        0.9805498735E-01
H        -0.3024491935        -2.928882890        0.8775403084    
O          2.998231079        -2.183095194        -1.347724737    
H          2.140366948        -2.536995546        -1.719351948    
H          3.695569734        -2.724539783        -1.716186226    
O          2.207003357        0.4033084335        -1.524132641    
H          2.660510347       -0.4557015028        -1.548075799    
H          1.411259264        0.2436796782       -0.9628591708    
O        -0.7130045908        -1.120708688        -3.655313198    
H        -0.8258598402        -1.289531909        -4.590876254    
H        -0.2515750653       -0.2396828758        -3.591695796    
O         -3.319358482        -2.178949838       -0.1475895112E-01
H         -3.259531018        -1.666653361       -0.8704701599    
H         -4.070186240        -2.765440834       -0.1028989388    
O          3.277982274        0.5944085639         2.140734684    
H          4.008801231        0.8269383096         2.712302925    
H          3.292241669         1.243766830         1.381625749    
O         -2.985567663         2.042729957         1.386608210    
H         -3.824364745         2.446126056         1.608813582    
H         -3.044991560         1.095699872         1.720561535    
O          2.822884417        -2.053005908         1.422249880    
H          2.990935801        -1.129311905         1.672520834    
H          2.875421100        -2.087778863        0.4512918890    
O         0.2975063733E-01   -0.8418884372E-01   -0.7836528175E-01
H        -0.7369433521        0.4034518315       -0.4471196495    
H        -0.2092058149        -1.037805419       -0.9113917161E-01
O         0.7160186012        -3.037074797        -2.286508533    
H         0.2639277874        -2.368886492        -2.833080547    
H         0.1918550957        -3.072217092        -1.466783779    
O          3.200013787         2.265893727        0.1336028121    
H          2.428150046         2.854019345        0.1913160125    
H          2.973321281         1.632659171       -0.5784755061    
O         0.5757301961        0.6768126440         2.429416809    
H          1.543764734        0.6371245004         2.498955246    
H         0.3738834024        0.3868503745         1.511272253    
O         -3.053419014       -0.8134927583        -2.227993272    
H         -2.826314971        0.5770092164E-01    -1.857946638    
H         -2.264412537        -1.067895180        -2.739170519    
    63
Energy=    -106.837823679020    
O         0.5888589857         1.154406506        -3.530656047    
H         0.1491016629         1.907661464        -3.109869357    
H          1.311282030        0.9119331928        -2.914926294    
O        -0.5450171902         3.076301828         2.135542921    
H         -1.447023221         2.807506877         1.889648074    
H        -0.1071662049         2.237901286         2.401596964    
O        -0.4285947555         3.353064295        -2.070479010    
H        -0.5128064995         4.188835823        -2.529247788    
H         0.1287743934         3.515188168        -1.274802847    
O         0.9276203089         3.876559970        0.1769011714    
H         0.3415130150         3.550961600        0.9309719306    
H          1.160406713         4.777612994        0.4022340112    
O         -3.232285410       -0.4167081871         2.149894287    
H         -2.489396890       -0.7272699705         2.714770388    
H         -3.275009378        -1.031777363         1.400002780    
O         -2.014519852         1.382390779        -1.024441994    
H         -1.568955141         2.134976102        -1.443018168    
H         -2.414982783         1.703658802       -0.1922659086    
O         -1.055657184        -1.216255012         3.503002359    
H        -0.4743603046       -0.4604049401         3.301544615    
H        -0.5712456818        -1.988793666         3.177872782    
O         0.6114847539        -3.142228028         2.330326509    
H          1.445908304        -2.691314505         2.029419968    
H         0.8825305824        -3.985857753         2.691488239    
O        -0.6676973909        -2.661647163        0.1300559281E-01
H         -1.637284080        -2.614849347        0.9813919812E-01
H        -0.3024520000        -2.928877970        0.8776145491    
O          2.998253876        -2.183036512        -1.347871145    
H          2.140410882        -2.537033020        -1.719457963    
H          3.695518076        -2.724555833        -1.716363468    
O          2.207083559        0.4033689041        -1.524150905    
H          2.660617049       -0.4555653168        -1.548293766    
H          1.411428195        0.2436444775       -0.9629841243    
O        -0.7130545823        -1.120751835        -3.655268670    
H        -0.8259077477        -1.289505374        -4.590827460    
H        -0.2516481214       -0.2397142583        -3.591601346    
O         -3.319308016        -2.179079620       -0.1471326463E-01
H         -3.259464456        -1.666776095       -0.8704032421    
H         -4.070123535        -2.765578520       -0.1029243120    
O          3.278063375        0.5942809984         2.140730348    
H          4.008884575        0.8268232533         2.712283833    
H          3.292273411         1.243643776         1.381629861    
O         -2.985650810         2.042857519         1.386659417    
H         -3.824493739         2.446309012         1.608618935    
H         -3.045204426         1.095750927         1.720490352    
O          2.823024690        -2.053051395         1.422129065    
H          2.991116924        -1.129366119         1.672441228    
H          2.875656960        -2.087778959        0.4511547120    
O         0.2979701004E-01   -0.8414833260E-01   -0.7852564677E-01
H        -0.7369918455        0.4034888935       -0.4471860184    
H        -0.2091655723        -1.037795611       -0.9126848790E-01
O         0.7159879545        -3.037073482        -2.286427278    
H         0.2639013477        -2.368847064        -2.832939772    
H         0.1918316807        -3.072172425        -1.466696259    
O          3.200059445         2.265833433        0.1336699063    
H          2.428144918         2.854041733        0.1913775276    
H          2.973418645         1.632641818       -0.5784820633    
O         0.5756811158        0.6767636730         2.429418653    
H          1.543739877        0.6369886713         2.498954187    
H         0.3738611697        0.3867818200         1.511214073    
O         -3.053476600       -0.8134580827        -2.227993478    
H         -2.826349929        0.5770956930E-01    -1.857929116    
H         -2.264431035        -1.067858807        -2.739223756    
    63
Energy=    -106.837823762390    
O         0.5888248476         1.154549729        -3.531373861    
H         0.1486876381         1.907344073        -3.110075694    
H          1.311532952        0.9124778238        -2.915818566    
O        -0.5438885541         3.076505303         2.136394576    
H         -1.446118183         2.808602220         1.890272519    
H        -0.1063322212         2.237387721         2.400780560    
O        -0.4284747309         3.352301571        -2.071060623    
H        -0.5118232361         4.187794528        -2.530413404    
H         0.1284590975         3.514657408        -1.275065526    
O         0.9272507376         3.876410648        0.1762910447    
H         0.3417210861         3.550731474        0.9307709003    
H          1.159426202         4.777750506        0.4012420161    
O         -3.232109517       -0.4155772070         2.149714323    
H         -2.489837336       -0.7273189480         2.714735377    
H         -3.275032291        -1.030360891         1.399614171    
O         -2.015352121         1.382306118        -1.023167042    
H         -1.569556081         2.134153652        -1.442675505    
H         -2.415550062         1.704693338       -0.1913019966    
O         -1.056223245        -1.217565892         3.502666599    
H        -0.4751432463       -0.4613249175         3.301878629    
H        -0.5713560115        -1.989887010         3.177594726    
O         0.6119543152        -3.143215966         2.329505404    
H          1.446347348        -2.691723853         2.029401428    
H         0.8834254601        -3.986285911         2.691756899    
O        -0.6681147444        -2.662372227        0.1298219709E-01
H         -1.637662773        -2.615577546        0.9842203844E-01
H        -0.3027883841        -2.929410419        0.8776021977    
O          2.998362393        -2.181865938        -1.348703466    
H          2.140406554        -2.536890128        -1.719240762    
H          3.695723831        -2.723167120        -1.717323068    
O          2.207456534        0.4041928242        -1.524452573    
H          2.661036949       -0.4547184321        -1.549076922    
H          1.411858442        0.2439962120       -0.9634540089    
O        -0.7128229200        -1.120868652        -3.654727788    
H        -0.8244750915        -1.290146800        -4.590281083    
H        -0.2510885729       -0.2399903553        -3.591205791    
O         -3.319189135        -2.178923565       -0.1411022351E-01
H         -3.258917552        -1.666957260       -0.8699256360    
H         -4.070151895        -2.765195351       -0.1021706000    
O          3.277507310        0.5939829810         2.140872762    
H          4.006753226        0.8281060525         2.713880187    
H          3.291743186         1.243516693         1.381848750    
O         -2.985502304         2.044787910         1.387862449    
H         -3.824241904         2.448679975         1.609410359    
H         -3.045579274         1.097423663         1.720771795    
O          2.823915517        -2.053367422         1.421885034    
H          2.991865743        -1.129782877         1.672563449    
H          2.876988523        -2.087546211        0.4508799662    
O         0.2941567210E-01   -0.8480974885E-01   -0.7963282950E-01
H        -0.7378733514        0.4028106805       -0.4472262107    
H        -0.2097835037        -1.038356786       -0.9240556553E-01
O         0.7162538910        -3.037026097        -2.285845212    
H         0.2642380255        -2.368535844        -2.832076234    
H         0.1917152299        -3.072726313        -1.466354392    
O          3.200097321         2.265753101        0.1343115540    
H          2.428398368         2.854285088        0.1916053253    
H          2.973647784         1.632860347       -0.5781483669    
O         0.5749198477        0.6758983843         2.429312820    
H          1.542965969        0.6358557115         2.498753454    
H         0.3729003858        0.3858001970         1.511211291    
O         -3.053489453       -0.8134074895        -2.228339369    
H         -2.826507919        0.5772900982E-01    -1.858193817    
H         -2.264303672        -1.067684165        -2.739439181    
    63
Energy=    -106.837823825090    
O         0.5888457853         1.154365247        -3.531514237    
H         0.1485703226         1.907105099        -3.110261831    
H          1.311602587        0.9122439131        -2.916104485    
O        -0.5429154397         3.076646690         2.136235186    
H         -1.445423545         2.809240306         1.890819755    
H        -0.1057911529         2.237330256         2.400700613    
O        -0.4287502365         3.351732991        -2.071500782    
H        -0.5117320879         4.187098282        -2.531308625    
H         0.1283056879         3.514321848        -1.275724691    
O         0.9269679819         3.876729996        0.1756914362    
H         0.3419112082         3.550902390        0.9305231725    
H          1.158783432         4.778165313        0.4004667471    
O         -3.231448208       -0.4150729839         2.149648915    
H         -2.489288869       -0.7269900552         2.714617897    
H         -3.274323023        -1.029703746         1.399385133    
O         -2.016106329         1.382483850        -1.022718729    
H         -1.570209190         2.134212670        -1.442407144    
H         -2.415879667         1.705178235       -0.1907351012    
O         -1.056293334        -1.218520604         3.503367665    
H        -0.4754802591       -0.4621953323         3.302504903    
H        -0.5716444063        -1.990583170         3.177455773    
O         0.6120251351        -3.143311497         2.329015852    
H          1.446397525        -2.692153577         2.028538416    
H         0.8832519622        -3.986945297         2.690047858    
O        -0.6685639720        -2.663086214        0.1262138955E-01
H         -1.638052691        -2.615744570        0.9820132061E-01
H        -0.3029744050        -2.929832028        0.8772449200    
O          2.998579243        -2.181382817        -1.348546806    
H          2.140396088        -2.536323739        -1.718575307    
H          3.695733960        -2.722705922        -1.717522671    
O          2.207456842        0.4045212621        -1.524684442    
H          2.661024574       -0.4544318772        -1.549066554    
H          1.411904392        0.2444688336       -0.9636124334    
O        -0.7123464017        -1.120895939        -3.654522192    
H        -0.8238368525        -1.290801676        -4.590058211    
H        -0.2505375893       -0.2399835797        -3.591308117    
O         -3.319261798        -2.178417796       -0.1400056244E-01
H         -3.258864539        -1.666743977       -0.8699889898    
H         -4.070451947        -2.764515589       -0.1018175106    
O          3.276905723        0.5942405988         2.141158104    
H          4.005374182        0.8290620655         2.714737057    
H          3.291428854         1.243642467         1.382080228    
O         -2.985281403         2.045571363         1.388224001    
H         -3.824055662         2.449068295         1.610438903    
H         -3.044976755         1.098334953         1.721333315    
O          2.824464117        -2.053627241         1.422196004    
H          2.992423024        -1.130040042         1.672958216    
H          2.877437322        -2.087659303        0.4512192253    
O         0.2895590956E-01   -0.8533885348E-01   -0.7978616907E-01
H        -0.7382450487        0.4025510985       -0.4471584918    
H        -0.2103156306        -1.038868910       -0.9284983221E-01
O         0.7164933923        -3.036902918        -2.285528318    
H         0.2645417345        -2.368336439        -2.831795056    
H         0.1915435615        -3.073271521        -1.466364767    
O          3.200256483         2.265996753        0.1344406014    
H          2.428711812         2.854654142        0.1917985487    
H          2.973523274         1.632956557       -0.5778965176    
O         0.5745775579        0.6754548400         2.429338500    
H          1.542712326        0.6355822311         2.498630300    
H         0.3723729890        0.3851377529         1.511385195    
O         -3.053168429       -0.8137702760        -2.228152998    
H         -2.826686500        0.5778327755E-01    -1.858615483    
H         -2.264062513        -1.067868484        -2.739388617    
    63
Energy=    -106.837823909400    
O         0.5889181951         1.154050877        -3.532400019    
H         0.1484745553         1.906446802        -3.110673432    
H          1.311794640        0.9120625462        -2.917022872    
O        -0.5416814726         3.076739548         2.136977894    
H         -1.444628317         2.810230461         1.892186675    
H        -0.1050095473         2.236969627         2.400832251    
O        -0.4286697955         3.351129993        -2.071796557    
H        -0.5111863728         4.186196215        -2.532178643    
H         0.1286811925         3.513782456        -1.276216421    
O         0.9273449872         3.877356670        0.1754107781    
H         0.3427267525         3.551431514        0.9304371057    
H          1.158212669         4.779218235        0.3995240230    
O         -3.232006304       -0.4142299999         2.148719827    
H         -2.490398992       -0.7267347081         2.714077457    
H         -3.274933003        -1.028726947         1.398385876    
O         -2.017206495         1.383047929        -1.022312489    
H         -1.571602771         2.134884714        -1.442047277    
H         -2.416484246         1.705550396       -0.1900332059    
O         -1.057419496        -1.218894663         3.503166615    
H        -0.4765188278       -0.4625489378         3.302524101    
H        -0.5724242784        -1.990971148         3.177847115    
O         0.6129914591        -3.143705780         2.328949697    
H          1.447246717        -2.692472541         2.028166455    
H         0.8845625620        -3.987319039         2.689897774    
O        -0.6689437867        -2.664110518        0.1306926093E-01
H         -1.638384621        -2.616517753        0.9904025320E-01
H        -0.3031252420        -2.930869452        0.8775981770    
O          2.999533115        -2.180452163        -1.349044525    
H          2.140886088        -2.535084242        -1.718350261    
H          3.695932912        -2.722004417        -1.719102432    
O          2.207320737        0.4052252647        -1.525016374    
H          2.661504573       -0.4533873927        -1.549440568    
H          1.411520139        0.2444984722       -0.9645314843    
O        -0.7122242881        -1.121315757        -3.653825709    
H        -0.8245898688        -1.291911800        -4.589104099    
H        -0.2505911320       -0.2402299771        -3.591692988    
O         -3.319624334        -2.178139942       -0.1397959226E-01
H         -3.259081241        -1.666535652       -0.8700179072    
H         -4.070938877        -2.764036901       -0.1018178322    
O          3.276521545        0.5939761723         2.142060436    
H          4.004116853        0.8293253850         2.716600534    
H          3.291340808         1.243437430         1.383063194    
O         -2.985339340         2.047030858         1.389505046    
H         -3.824642006         2.449721675         1.611204144    
H         -3.044619800         1.099512407         1.721860326    
O          2.825700165        -2.054430738         1.421520348    
H          2.993562782        -1.131020470         1.672898208    
H          2.879023078        -2.087941151        0.4505341990    
O         0.2854973059E-01   -0.8601727932E-01   -0.8106645351E-01
H        -0.7388369835        0.4018160179       -0.4480654032    
H        -0.2106701437        -1.039548837       -0.9362437732E-01
O         0.7172477267        -3.036555788        -2.284783749    
H         0.2647913488        -2.368042923        -2.830676665    
H         0.1923127259        -3.073630406        -1.465640362    
O          3.200407822         2.266032053        0.1351996381    
H          2.429224631         2.855209203        0.1924040982    
H          2.973639129         1.633507277       -0.5774904351    
O         0.5737061769        0.6744122979         2.428438970    
H          1.541811564        0.6347771379         2.498036376    
H         0.3719399260        0.3842368945         1.510337321    
O         -3.052948986       -0.8137387550        -2.228153275    
H         -2.827208414        0.5792581673E-01    -1.858521229    
H         -2.263097223        -1.067858663        -2.738338054    
    63
Energy=    -106.837823918130    
O         0.5889410739         1.153853541        -3.532568063    
H         0.1484026143         1.906236512        -3.110925484    
H          1.311816996        0.9119870444        -2.917157438    
O        -0.5413924766         3.076844709         2.136985318    
H         -1.444431003         2.810604304         1.892290149    
H        -0.1048873631         2.236947324         2.400703899    
O        -0.4286420601         3.350981899        -2.071854403    
H        -0.5111738267         4.186001000        -2.532345274    
H         0.1286304447         3.513787006        -1.276272002    
O         0.9274471873         3.877608634        0.1752510566    
H         0.3429757106         3.551656878        0.9303774281    
H          1.158148659         4.779556303        0.3991811881    
O         -3.231910266       -0.4142099607         2.148710171    
H         -2.490281521       -0.7267776387         2.713988349    
H         -3.274897955        -1.028610679         1.398262630    
O         -2.017479627         1.383084628        -1.022167961    
H         -1.571726601         2.134811064        -1.441945231    
H         -2.416570085         1.705656669       -0.1898269957    
O         -1.057454682        -1.218966753         3.503064618    
H        -0.4765529476       -0.4626476985         3.302329839    
H        -0.5724459968        -1.991127692         3.177976416    
O         0.6131306980        -3.143679556         2.328969407    
H          1.447384140        -2.692482332         2.028194154    
H         0.8845562924        -3.987688921         2.689072462    
O        -0.6690214311        -2.664373409        0.1311449428E-01
H         -1.638456282        -2.616622284        0.9909187713E-01
H        -0.3031977385        -2.930858130        0.8777112574    
O          2.999768000        -2.180244816        -1.349069281    
H          2.141135400        -2.534939959        -1.718316055    
H          3.696197258        -2.721757295        -1.719141595    
O          2.207237745        0.4053482975        -1.524871092    
H          2.661549131       -0.4531987295        -1.549188339    
H          1.411321207        0.2445398037       -0.9645800107    
O        -0.7122968684        -1.121446032        -3.653659330    
H        -0.8250256779        -1.292215603        -4.588860483    
H        -0.2505081864       -0.2404191446        -3.591874476    
O         -3.319840263        -2.178107015       -0.1407054599E-01
H         -3.259198313        -1.666495082       -0.8701022779    
H         -4.071356849        -2.763757165       -0.1019240853    
O          3.276428868        0.5938958653         2.142260310    
H          4.003797599        0.8293454123         2.717039773    
H          3.291314591         1.243395277         1.383312515    
O         -2.985196617         2.047089688         1.389677147    
H         -3.824527361         2.449709202         1.611433979    
H         -3.044373317         1.099556127         1.722019253    
O          2.825874812        -2.054501457         1.421593637    
H          2.993611346        -1.131071891         1.672946164    
H          2.879297014        -2.088059597        0.4506071971    
O         0.2822757295E-01   -0.8612521396E-01   -0.8121256382E-01
H        -0.7391351831        0.4016773417       -0.4483024977    
H        -0.2109878885        -1.039650227       -0.9378383573E-01
O         0.7174514499        -3.036517145        -2.284624977    
H         0.2649801467        -2.368022823        -2.830520548    
H         0.1925299529        -3.073503187        -1.465472545    
O          3.200322144         2.266075446        0.1354161603    
H          2.429279497         2.855414475        0.1924369989    
H          2.973501279         1.633569831       -0.5772872823    
O         0.5736365074        0.6742658842         2.428181273    
H          1.541734252        0.6344142819         2.497747519    
H         0.3717437647        0.3841712000         1.510097110    
O         -3.052815797       -0.8136237631        -2.228057461    
H         -2.827188951        0.5808006964E-01    -1.858430374    
H         -2.262889116        -1.067706915        -2.738121762    
    63
Energy=    -106.837823927390    
O         0.5889361533         1.153627636        -3.532764767    
H         0.1483056356         1.906016825        -3.111199492    
H          1.311797217        0.9118411775        -2.917283004    
O        -0.5411811084         3.077127868         2.137035952    
H         -1.444235511         2.810923954         1.892251710    
H        -0.1048539931         2.237037620         2.400384828    
O        -0.4285727555         3.350821811        -2.071848933    
H        -0.5112114071         4.185820736        -2.532357465    
H         0.1286585187         3.513781985        -1.276259135    
O         0.9275822980         3.877961359        0.1751997089    
H         0.3431447711         3.552039851        0.9303281674    
H          1.158160152         4.779998155        0.3990081433    
O         -3.231788319       -0.4143034325         2.148565774    
H         -2.490207225       -0.7268727910         2.713884774    
H         -3.274844094        -1.028739751         1.398178751    
O         -2.017665190         1.383224531        -1.022084517    
H         -1.571587575         2.134768026        -1.441783705    
H         -2.416582940         1.705763160       -0.1895970823    
O         -1.057493409        -1.218881700         3.503095749    
H        -0.4766233145       -0.4626712103         3.302061292    
H        -0.5724456981        -1.991136667         3.178125329    
O         0.6131550021        -3.143452141         2.328975464    
H          1.447510770        -2.692457630         2.028106067    
H         0.8843327303        -3.987931381         2.688090055    
O        -0.6691554782        -2.664458235        0.1326089966E-01
H         -1.638567434        -2.616874390        0.9908915446E-01
H        -0.3032941993        -2.930659450        0.8779472725    
O          3.000086852        -2.180190932        -1.348936813    
H          2.141444156        -2.534758575        -1.718354053    
H          3.696545586        -2.721534880        -1.719145572    
O          2.207175121        0.4055292987        -1.524782827    
H          2.661585762       -0.4529790998        -1.548992320    
H          1.411252459        0.2446475924       -0.9645663965    
O        -0.7123033410        -1.121693123        -3.653529888    
H        -0.8257511001        -1.292516564        -4.588574592    
H        -0.2505044604       -0.2406324936        -3.591941516    
O         -3.320016219        -2.178350659       -0.1423742341E-01
H         -3.259176055        -1.666561793       -0.8701433553    
H         -4.071848028        -2.763576003       -0.1021900455    
O          3.276464413        0.5936844208         2.142369873    
H          4.003615791        0.8291576057         2.717266047    
H          3.291369999         1.243340887         1.383514354    
O         -2.984980362         2.047054370         1.390023346    
H         -3.824442188         2.449445755         1.611411580    
H         -3.044400565         1.099398738         1.722054790    
O          2.826200571        -2.054590951         1.421689967    
H          2.993818599        -1.131156020         1.672959090    
H          2.879610760        -2.088144176        0.4506888650    
O         0.2787391945E-01   -0.8628834748E-01   -0.8148976205E-01
H        -0.7395079142        0.4016325990       -0.4484261694    
H        -0.2114005586        -1.039797870       -0.9395836984E-01
O         0.7176476430        -3.036292232        -2.284190435    
H         0.2651105933        -2.368016537        -2.830370434    
H         0.1926376817        -3.073376439        -1.465178846    
O          3.200254879         2.266025736        0.1356936097    
H          2.429398418         2.855634397        0.1926043191    
H          2.973344385         1.633538385       -0.5769871650    
O         0.5736284937        0.6742155355         2.427877572    
H          1.541764691        0.6340546913         2.497367392    
H         0.3715765009        0.3841905770         1.509801501    
O         -3.052839709       -0.8134085421        -2.228023713    
H         -2.827200046        0.5823688232E-01    -1.858243640    
H         -2.262799223        -1.067480545        -2.737960482    
    63
Energy=    -106.837823929030    
O         0.5889433988         1.153611075        -3.532791235    
H         0.1483018521         1.905993977        -3.111229996    
H          1.311803408        0.9118369693        -2.917301309    
O        -0.5411412199         3.077122471         2.137048661    
H         -1.444178667         2.810955677         1.892277662    
H        -0.1048182546         2.237007796         2.400367539    
O        -0.4285713105         3.350802887        -2.071859851    
H        -0.5111879041         4.185796893        -2.532383562    
H         0.1286478521         3.513764199        -1.276264178    
O         0.9275928230         3.877979178        0.1751805973    
H         0.3431740912         3.552054175        0.9303311966    
H          1.158143571         4.780013562        0.3989639820    
O         -3.231835997       -0.4142715599         2.148564332    
H         -2.490255054       -0.7268900072         2.713881480    
H         -3.274886248        -1.028713121         1.398160041    
O         -2.017706643         1.383241118        -1.022052325    
H         -1.571613582         2.134781922        -1.441781731    
H         -2.416592345         1.705787499       -0.1895830108    
O         -1.057531586        -1.218922880         3.503045097    
H        -0.4766247495       -0.4626945368         3.302001217    
H        -0.5724923681        -1.991148394         3.178162473    
O         0.6132150783        -3.143456986         2.328995856    
H          1.447547252        -2.692490333         2.028070114    
H         0.8843921849        -3.987945867         2.688098006    
O        -0.6691437222        -2.664469512        0.1327587396E-01
H         -1.638587698        -2.616885938        0.9912994025E-01
H        -0.3032579139        -2.930644889        0.8779686822    
O          3.000126382        -2.180153721        -1.348962326    
H          2.141495832        -2.534743634        -1.718382914    
H          3.696619506        -2.721479070        -1.719186699    
O          2.207163989        0.4055396393        -1.524779763    
H          2.661589470       -0.4529502218        -1.548974049    
H          1.411224075        0.2446558016       -0.9645763021    
O        -0.7122984567        -1.121707213        -3.653490186    
H        -0.8258216346        -1.292554825        -4.588565217    
H        -0.2504900377       -0.2406582065        -3.591952591    
O         -3.320033894        -2.178337827       -0.1422738982E-01
H         -3.259172879        -1.666551360       -0.8701292012    
H         -4.071894502        -2.763528309       -0.1021755798    
O          3.276415772        0.5936582506         2.142371515    
H          4.003571010        0.8291673203         2.717368324    
H          3.291357343         1.243338464         1.383566230    
O         -2.984934717         2.047079876         1.390045254    
H         -3.824423073         2.449508793         1.611455623    
H         -3.044399424         1.099440836         1.722068718    
O          2.826217380        -2.054603152         1.421662369    
H          2.993849958        -1.131141023         1.672950950    
H          2.879657939        -2.088150430        0.4506745685    
O         0.2782689643E-01   -0.8629903879E-01   -0.8155097079E-01
H        -0.7395577366        0.4016094504       -0.4484624009    
H        -0.2114404994        -1.039819498       -0.9397891864E-01
O         0.7176913063        -3.036280694        -2.284193029    
H         0.2651409190        -2.368037818        -2.830349809    
H         0.1926697205        -3.073373524        -1.465126473    
O          3.200247007         2.266015174        0.1357396693    
H          2.429394258         2.855647963        0.1926255241    
H          2.973326614         1.633532557       -0.5769464855    
O         0.5736093189        0.6741586804         2.427824726    
H          1.541719622        0.6339946159         2.497332003    
H         0.3715494055        0.3841702356         1.509734187    
O         -3.052831851       -0.8133932495        -2.228015545    
H         -2.827216221        0.5824960096E-01    -1.858229820    
H         -2.262773941        -1.067462217        -2.737930060    
    63
Energy=    -106.837823935410    
O         0.5889450528         1.153577586        -3.532883088    
H         0.1482993678         1.905928092        -3.111299321    
H          1.311785515        0.9118296719        -2.917369156    
O        -0.5410498574         3.077108828         2.137014149    
H         -1.444122429         2.811041052         1.892315513    
H        -0.1047043284         2.236990968         2.400325614    
O        -0.4285440852         3.350768970        -2.071815541    
H        -0.5111009086         4.185742776        -2.532374012    
H         0.1286939220         3.513690071        -1.276221197    
O         0.9275961875         3.878039201        0.1752007459    
H         0.3432329666         3.552140772        0.9304233082    
H          1.158163486         4.780058933        0.3989526146    
O         -3.232054635       -0.4142591833         2.148471414    
H         -2.490483026       -0.7269203531         2.713782462    
H         -3.275114260        -1.028716358         1.398088509    
O         -2.017749262         1.383309359        -1.022020335    
H         -1.571613232         2.134847368        -1.441734606    
H         -2.416568392         1.705855431       -0.1895293334    
O         -1.057588306        -1.218878336         3.502879698    
H        -0.4766863156       -0.4626579524         3.301674706    
H        -0.5724979879        -1.991145906         3.178242869    
O         0.6133616540        -3.143498111         2.329106347    
H          1.447662876        -2.692535948         2.028084167    
H         0.8845969401        -3.987978870         2.688238529    
O        -0.6691458142        -2.664424350        0.1344631344E-01
H         -1.638600396        -2.616980093        0.9929920805E-01
H        -0.3031996592        -2.930582941        0.8781295397    
O          3.000298786        -2.180052531        -1.349057194    
H          2.141690791        -2.534689452        -1.718460969    
H          3.696838063        -2.721298730        -1.719332854    
O          2.207139078        0.4055749620        -1.524793798    
H          2.661622308       -0.4528814575        -1.548970502    
H          1.411161127        0.2446758551       -0.9646249480    
O        -0.7123233066        -1.121784248        -3.653396676    
H        -0.8261146517        -1.292615727        -4.588463071    
H        -0.2505035936       -0.2407418485        -3.591962512    
O         -3.320070416        -2.178396586       -0.1423905492E-01
H         -3.259171730        -1.666554882       -0.8701054668    
H         -4.072002810        -2.763498109       -0.1022095548    
O          3.276405269        0.5935526390         2.142411367    
H          4.003489807        0.8290470301         2.717549359    
H          3.291336641         1.243306188         1.383675131    
O         -2.984899697         2.047107097         1.390109365    
H         -3.824390686         2.449640790         1.611435873    
H         -3.044452764         1.099464658         1.722085936    
O          2.826251680        -2.054619092         1.421548836    
H          2.993931165        -1.131176032         1.672887836    
H          2.879740857        -2.088158631        0.4505532334    
O         0.2777366441E-01   -0.8634996697E-01   -0.8175944159E-01
H        -0.7396838729        0.4015346781       -0.4485436956    
H        -0.2115318307        -1.039878669       -0.9402837929E-01
O         0.7177916297        -3.036251243        -2.284123160    
H         0.2651670155        -2.368078545        -2.830264286    
H         0.1928019659        -3.073326607        -1.464994978    
O          3.200236136         2.265975392        0.1358711878    
H          2.429404756         2.855636476        0.1927684912    
H          2.973279964         1.633494563       -0.5768094642    
O         0.5735517379        0.6741261315         2.427594350    
H          1.541629848        0.6338603401         2.497187464    
H         0.3715467573        0.3841560095         1.509481361    
O         -3.052866076       -0.8133151263        -2.227967242    
H         -2.827301170        0.5830948228E-01    -1.858127555    
H         -2.262780412        -1.067387880        -2.737844624    
    63
Energy=    -106.837823943350    
O         0.5889550973         1.153377069        -3.533044589    
H         0.1482477791         1.905708092        -3.111484566    
H          1.311733467        0.9116482631        -2.917453377    
O        -0.5407497587         3.077214978         2.136844945    
H         -1.443861529         2.811142399         1.892291783    
H        -0.1043426185         2.237090818         2.400044179    
O        -0.4285215603         3.350525104        -2.071779953    
H        -0.5111146820         4.185448011        -2.532427159    
H         0.1288155687         3.513532070        -1.276279568    
O         0.9276277037         3.878376092        0.1750938368    
H         0.3433204836         3.552446438        0.9303613025    
H          1.158173313         4.780411812        0.3988318066    
O         -3.232125791       -0.4144240008         2.148328011    
H         -2.490550408       -0.7270613010         2.713623199    
H         -3.275252447        -1.028905871         1.397952674    
O         -2.017917416         1.383625112        -1.021948834    
H         -1.571583604         2.135136227        -1.441530883    
H         -2.416505349         1.706166995       -0.1893366834    
O         -1.057496299        -1.218923723         3.502671786    
H        -0.4767036284       -0.4627141494         3.301139684    
H        -0.5723678525        -1.991262831         3.178192529    
O         0.6134934552        -3.143436106         2.329033655    
H          1.447824895        -2.692431098         2.028130109    
H         0.8846429133        -3.988177180         2.687618239    
O        -0.6693906276        -2.664367064        0.1362588695E-01
H         -1.638854469        -2.617342318        0.9948076084E-01
H        -0.3033326601        -2.930263140        0.8783389571    
O          3.000766592        -2.179773500        -1.349009372    
H          2.142183561        -2.534544366        -1.718304955    
H          3.697371528        -2.720831218        -1.719435866    
O          2.207054563        0.4057076892        -1.524675716    
H          2.661554311       -0.4527401552        -1.548816074    
H          1.410972824        0.2447531443       -0.9646691109    
O        -0.7123988847        -1.122048672        -3.653199482    
H        -0.8267577099        -1.292803626        -4.588208254    
H        -0.2504490892       -0.2410665833        -3.591999342    
O         -3.320199669        -2.178443063       -0.1424878364E-01
H         -3.259150608        -1.666523816       -0.8700697138    
H         -4.072396373        -2.763203704       -0.1022441631    
O          3.276280290        0.5933335740         2.142472126    
H          4.003091738        0.8289198782         2.717912214    
H          3.291300537         1.243250642         1.383869758    
O         -2.984651307         2.047146085         1.390312346    
H         -3.824147891         2.449717296         1.611541739    
H         -3.044235550         1.099478000         1.722189184    
O          2.826378689        -2.054737030         1.421533342    
H          2.994242021        -1.131333991         1.672937654    
H          2.879905373        -2.088204573        0.4505420542    
O         0.2748622496E-01   -0.8645535008E-01   -0.8208345239E-01
H        -0.7400950903        0.4014453056       -0.4485801613    
H        -0.2118944394        -1.039983014       -0.9426657399E-01
O         0.7181500165        -3.036150307        -2.283838965    
H         0.2654005394        -2.368117551        -2.830065745    
H         0.1930419720        -3.073265065        -1.464804272    
O          3.200184141         2.265944586        0.1362136164    
H          2.429442909         2.855690399        0.1931613752    
H          2.973067487         1.633421505       -0.5763899930    
O         0.5733421844        0.6740317477         2.427077114    
H          1.541406427        0.6336086500         2.496866515    
H         0.3713647857        0.3840109318         1.508971995    
O         -3.052948621       -0.8132238612        -2.227829835    
H         -2.827497184        0.5843310403E-01    -1.857995623    
H         -2.262819172        -1.067226187        -2.737673830    
    63
Energy=    -106.837823948740    
O         0.5889282090         1.153263176        -3.533005272    
H         0.1482402687         1.905639343        -3.111497223    
H          1.311733990        0.9115837506        -2.917424433    
O        -0.5407116639         3.077271032         2.136846144    
H         -1.443776430         2.811069544         1.892248698    
H        -0.1042465809         2.237142599         2.399922564    
O        -0.4284455859         3.350446422        -2.071810677    
H        -0.5111923979         4.185367319        -2.532436918    
H         0.1288786927         3.513518580        -1.276321367    
O         0.9277110024         3.878468185        0.1750422660    
H         0.3432875480         3.552538537        0.9302087443    
H          1.158182396         4.780522177        0.3988039198    
O         -3.232067046       -0.4144980388         2.148328638    
H         -2.490467771       -0.7270980089         2.713614670    
H         -3.275141771        -1.029030271         1.397984346    
O         -2.017955225         1.383737434        -1.021951508    
H         -1.571550943         2.135219474        -1.441498380    
H         -2.416480172         1.706256884       -0.1893054983    
O         -1.057443117        -1.218975997         3.502618114    
H        -0.4766591783       -0.4627477830         3.301123469    
H        -0.5723156715        -1.991279034         3.178092979    
O         0.6134544552        -3.143424925         2.328897792    
H          1.447793674        -2.692372930         2.028129176    
H         0.8845390049        -3.988241749         2.687319679    
O        -0.6694773670        -2.664447522        0.1356321035E-01
H         -1.638938352        -2.617398636        0.9947077877E-01
H        -0.3034185429        -2.930155913        0.8783381342    
O          3.000879349        -2.179678105        -1.348946709    
H          2.142282822        -2.534531701        -1.718122115    
H          3.697492851        -2.720702014        -1.719393929    
O          2.207000211        0.4057286453        -1.524598806    
H          2.661500161       -0.4527225819        -1.548771992    
H          1.410885268        0.2447411607       -0.9646684037    
O        -0.7124853305        -1.122076351        -3.653184112    
H        -0.8268326989        -1.292805541        -4.588189826    
H        -0.2504354815       -0.2411421079        -3.591950734    
O         -3.320247349        -2.178452927       -0.1424410012E-01
H         -3.259142574        -1.666536783       -0.8700531865    
H         -4.072513238        -2.763110306       -0.1022293143    
O          3.276214135        0.5933112439         2.142508728    
H          4.002997577        0.8289207462         2.717951721    
H          3.291290486         1.243198342         1.383870705    
O         -2.984561899         2.047121744         1.390359087    
H         -3.824044373         2.449677559         1.611613040    
H         -3.044150946         1.099457930         1.722231554    
O          2.826441787        -2.054779777         1.421570585    
H          2.994336891        -1.131400642         1.673013417    
H          2.879930949        -2.088183714        0.4505841335    
O         0.2737698159E-01   -0.8642410408E-01   -0.8207802294E-01
H        -0.7401622928        0.4015436372       -0.4485909177    
H        -0.2119491255        -1.039944769       -0.9435393788E-01
O         0.7182418582        -3.036140981        -2.283734934    
H         0.2655169569        -2.368139605        -2.830017133    
H         0.1930981156        -3.073271127        -1.464741046    
O          3.200144474         2.265938094        0.1362974361    
H          2.429411410         2.855703121        0.1932585684    
H          2.973010929         1.633442434       -0.5763247915    
O         0.5732782726        0.6740392219         2.426972209    
H          1.541347620        0.6336161099         2.496751815    
H         0.3713200486        0.3839632872         1.508866607    
O         -3.052989152       -0.8132188023        -2.227786046    
H         -2.827563013        0.5846579526E-01    -1.858013092    
H         -2.262872003        -1.067223177        -2.737649021    
    63
Energy=    -106.837823953890    
O         0.5888708646         1.153018060        -3.532908339    
H         0.1482030719         1.905424669        -3.111457225    
H          1.311769099        0.9114896340        -2.917378328    
O        -0.5406185143         3.077284848         2.136710309    
H         -1.443678541         2.810964722         1.892254903    
H        -0.1040472192         2.237198932         2.399721946    
O        -0.4281002332         3.350339755        -2.071868088    
H        -0.5112349827         4.185241450        -2.532389133    
H         0.1291899706         3.513535917        -1.276378395    
O         0.9278107928         3.878603408        0.1749829688    
H         0.3432805513         3.552648672        0.9300580427    
H          1.158287847         4.780661965        0.3988168521    
O         -3.232093635       -0.4145442709         2.148259825    
H         -2.490481985       -0.7271182264         2.713549744    
H         -3.275182801        -1.029128001         1.397960830    
O         -2.018024095         1.383912570        -1.021953174    
H         -1.571505367         2.135323860        -1.441507129    
H         -2.416470384         1.706379179       -0.1892718611    
O         -1.057421455        -1.219025727         3.502299362    
H        -0.4766713754       -0.4627301235         3.300889337    
H        -0.5722034375        -1.991291672         3.177775984    
O         0.6134539668        -3.143387126         2.328839323    
H          1.447806009        -2.692401204         2.028042860    
H         0.8845657778        -3.988202649         2.687234184    
O        -0.6695646856        -2.664575094        0.1354116303E-01
H         -1.639011375        -2.617367338        0.9946828843E-01
H        -0.3034838357        -2.930145088        0.8783629905    
O          3.001124060        -2.179412247        -1.348888305    
H          2.142514786        -2.534477810        -1.717861384    
H          3.697789292        -2.720253658        -1.719498181    
O          2.206874298        0.4057970696        -1.524572089    
H          2.661486739       -0.4525996648        -1.548746557    
H          1.410704993        0.2446958907       -0.9647526938    
O        -0.7126838980        -1.122164717        -3.653069931    
H        -0.8269460394        -1.292778498        -4.588080643    
H        -0.2506011178       -0.2412211019        -3.591744266    
O         -3.320365527        -2.178538405       -0.1418535692E-01
H         -3.259266780        -1.666567279       -0.8699699289    
H         -4.072764884        -2.763108099       -0.1021840067    
O          3.276084594        0.5931655044         2.142674482    
H          4.002811744        0.8288277665         2.718127424    
H          3.291182427         1.242939956         1.383944835    
O         -2.984428842         2.047042760         1.390496362    
H         -3.823880003         2.449691824         1.611786644    
H         -3.044148218         1.099343756         1.722294250    
O          2.826620870        -2.054927477         1.421527317    
H          2.994489636        -1.131564602         1.673134139    
H          2.880074321        -2.088121803        0.4505302552    
O         0.2722167028E-01   -0.8640241911E-01   -0.8227751119E-01
H        -0.7402518887        0.4017238987       -0.4487790760    
H        -0.2121822117        -1.039888151       -0.9458378803E-01
O         0.7185277693        -3.036069770        -2.283440457    
H         0.2657319146        -2.368218378        -2.829811546    
H         0.1932740082        -3.073315785        -1.464503143    
O          3.200018015         2.265869068        0.1365066442    
H          2.429314421         2.855690516        0.1935085048    
H          2.972924906         1.633545359       -0.5762909992    
O         0.5732280365        0.6740774137         2.426670132    
H          1.541297051        0.6336435711         2.496434038    
H         0.3712287338        0.3839828811         1.508579960    
O         -3.053153393       -0.8131318345        -2.227642513    
H         -2.827742811        0.5859962101E-01    -1.857998428    
H         -2.263041596        -1.067228675        -2.737481942    
    63
Energy=    -106.837823958580    
O         0.5888822295         1.152986929        -3.532932059    
H         0.1481954638         1.905374532        -3.111451722    
H          1.311760416        0.9114445879        -2.917371867    
O        -0.5405525638         3.077264352         2.136619340    
H         -1.443661327         2.810983357         1.892257317    
H        -0.1039859061         2.237179295         2.399689873    
O        -0.4280544329         3.350311220        -2.071869438    
H        -0.5112264148         4.185251034        -2.532388570    
H         0.1292784453         3.513545381        -1.276415892    
O         0.9277829928         3.878656229        0.1749694155    
H         0.3433207188         3.552661084        0.9300998202    
H          1.158313274         4.780666427        0.3988005608    
O         -3.232139738       -0.4145482231         2.148264304    
H         -2.490520474       -0.7271468464         2.713531569    
H         -3.275275756        -1.029091428         1.397928200    
O         -2.018063643         1.383940341        -1.021986306    
H         -1.571516339         2.135356265        -1.441507906    
H         -2.416477408         1.706425745       -0.1892701169    
O         -1.057398479        -1.219028574         3.502261399    
H        -0.4767116037       -0.4627298514         3.300764582    
H        -0.5721791725        -1.991291181         3.177763094    
O         0.6135239415        -3.143393405         2.328837464    
H          1.447869727        -2.692415910         2.027962432    
H         0.8846008471        -3.988225952         2.687250479    
O        -0.6695680835        -2.664487509        0.1356263055E-01
H         -1.639021691        -2.617387186        0.9948059024E-01
H        -0.3034651302        -2.930154135        0.8783339440    
O          3.001185692        -2.179378074        -1.348863144    
H          2.142610034        -2.534437990        -1.717894847    
H          3.697891535        -2.720121019        -1.719540154    
O          2.206876096        0.4058264193        -1.524574924    
H          2.661491038       -0.4525651058        -1.548712697    
H          1.410693914        0.2447056803       -0.9647647449    
O        -0.7126724642        -1.122231682        -3.652997725    
H        -0.8270174723        -1.292787452        -4.588046897    
H        -0.2506662114       -0.2412760375        -3.591696934    
O         -3.320431957        -2.178567350       -0.1417402574E-01
H         -3.259324312        -1.666554839       -0.8699267563    
H         -4.072809330        -2.763070216       -0.1021388543    
O          3.276076588        0.5930851333         2.142688423    
H          4.002757818        0.8288190354         2.718218874    
H          3.291137484         1.242918605         1.384006517    
O         -2.984410851         2.047028104         1.390533972    
H         -3.823810721         2.449722336         1.611850836    
H         -3.044138589         1.099313771         1.722280949    
O          2.826640486        -2.054936971         1.421536675    
H          2.994493505        -1.131600949         1.673158743    
H          2.880128657        -2.088126428        0.4505333168    
O         0.2716624345E-01   -0.8641977510E-01   -0.8240132137E-01
H        -0.7403173417        0.4016913624       -0.4488428004    
H        -0.2123135537        -1.039899738       -0.9462904739E-01
O         0.7186100938        -3.036069073        -2.283385046    
H         0.2657769923        -2.368234260        -2.829762437    
H         0.1933445896        -3.073308774        -1.464471599    
O          3.199981343         2.265842547        0.1365593136    
H          2.429306582         2.855681647        0.1935567294    
H          2.972880707         1.633546474       -0.5762529215    
O         0.5732237708        0.6740797331         2.426611027    
H          1.541293083        0.6336077025         2.496378511    
H         0.3711853932        0.3840053176         1.508521747    
O         -3.053191044       -0.8131059762        -2.227619961    
H         -2.827772593        0.5863545750E-01    -1.857982307    
H         -2.263073993        -1.067206590        -2.737430147    
    63
Energy=    -106.837823959510    
O         0.5888683514         1.152938193        -3.532921287    
H         0.1481968266         1.905331851        -3.111431254    
H          1.311741431        0.9113839780        -2.917353368    
O        -0.5405319652         3.077275922         2.136566595    
H         -1.443658760         2.810981299         1.892243901    
H        -0.1039518243         2.237188667         2.399639453    
O        -0.4279935223         3.350292036        -2.071886522    
H        -0.5112367913         4.185240275        -2.532386748    
H         0.1293880901         3.513561427        -1.276461680    
O         0.9278006283         3.878683973        0.1749518062    
H         0.3433441349         3.552698250        0.9300762346    
H          1.158356963         4.780708479        0.3987964033    
O         -3.232142689       -0.4145728486         2.148283221    
H         -2.490489837       -0.7271793009         2.713509697    
H         -3.275277544        -1.029094359         1.397922185    
O         -2.018092242         1.383967522        -1.022018591    
H         -1.571500275         2.135391384        -1.441501223    
H         -2.416470281         1.706457493       -0.1892714706    
O         -1.057361852        -1.219018418         3.502223495    
H        -0.4766956051       -0.4627277904         3.300694584    
H        -0.5721627266        -1.991259354         3.177703937    
O         0.6135396531        -3.143416257         2.328753974    
H          1.447915034        -2.692452344         2.027884291    
H         0.8845697597        -3.988261679         2.687181311    
O        -0.6695972398        -2.664431141        0.1354088360E-01
H         -1.639047466        -2.617410447        0.9946375537E-01
H        -0.3034820750        -2.930184435        0.8782794933    
O          3.001219317        -2.179311703        -1.348804970    
H          2.142677525        -2.534381833        -1.717861616    
H          3.697971651        -2.719994877        -1.719563687    
O          2.206873144        0.4058599975        -1.524565189    
H          2.661493799       -0.4525365821        -1.548684074    
H          1.410681940        0.2447213976       -0.9647782167    
O        -0.7126971246        -1.122283130        -3.652942211    
H        -0.8270224670        -1.292796445        -4.588002910    
H        -0.2507289085       -0.2413143787        -3.591604428    
O         -3.320460344        -2.178572293       -0.1416964113E-01
H         -3.259400360        -1.666556048       -0.8698943790    
H         -4.072881636        -2.763083905       -0.1021129659    
O          3.276078699        0.5930238349         2.142698122    
H          4.002714470        0.8288311291         2.718277499    
H          3.291112810         1.242886298         1.384035112    
O         -2.984391667         2.047000426         1.390546732    
H         -3.823759262         2.449708855         1.611942075    
H         -3.044112243         1.099277455         1.722263095    
O          2.826646023        -2.054969602         1.421566894    
H          2.994488128        -1.131656010         1.673229266    
H          2.880184185        -2.088133538        0.4505752581    
O         0.2710794154E-01   -0.8644152115E-01   -0.8246595244E-01
H        -0.7403591796        0.4016856780       -0.4489152798    
H        -0.2124014438        -1.039890546       -0.9467182925E-01
O         0.7186695284        -3.036077132        -2.283321628    
H         0.2658269823        -2.368233400        -2.829687394    
H         0.1934066303        -3.073307513        -1.464415202    
O          3.199937532         2.265818283        0.1366029169    
H          2.429286868         2.855676375        0.1935889181    
H          2.972833569         1.633560089       -0.5762354217    
O         0.5732232568        0.6741080569         2.426574812    
H          1.541290546        0.6336267991         2.496307485    
H         0.3711616415        0.3840474767         1.508482683    
O         -3.053249004       -0.8130861950        -2.227598301    
H         -2.827812410        0.5866035606E-01    -1.857973162    
H         -2.263127213        -1.067200628        -2.737396004    
    63
Energy=    -106.837823961460    
O         0.5888446950         1.152879897        -3.532891016    
H         0.1482028739         1.905291216        -3.111409175    
H          1.311725090        0.9113279716        -2.917338004    
O        -0.5405293136         3.077281417         2.136545844    
H         -1.443632651         2.810953060         1.892219391    
H        -0.1039331663         2.237200414         2.399579614    
O        -0.4279274854         3.350288980        -2.071906468    
H        -0.5112692559         4.185229505        -2.532380624    
H         0.1294796190         3.513579890        -1.276518864    
O         0.9278551738         3.878727529        0.1749276551    
H         0.3433551776         3.552728119        0.9300221576    
H          1.158383595         4.780733796        0.3987921756    
O         -3.232125899       -0.4146102362         2.148311238    
H         -2.490442218       -0.7272171757         2.713495660    
H         -3.275258248        -1.029100928         1.397933989    
O         -2.018128805         1.384021306        -1.022052879    
H         -1.571494209         2.135425751        -1.441503271    
H         -2.416466766         1.706485618       -0.1892973217    
O         -1.057336822        -1.219022533         3.502207242    
H        -0.4766774771       -0.4627109075         3.300675896    
H        -0.5721077934        -1.991250002         3.177632600    
O         0.6135379231        -3.143425505         2.328654545    
H          1.447931829        -2.692480065         2.027835007    
H         0.8845284937        -3.988270717         2.687089384    
O        -0.6696317298        -2.664411698        0.1348536282E-01
H         -1.639085052        -2.617419013        0.9943102625E-01
H        -0.3035075070        -2.930200978        0.8782117667    
O          3.001278059        -2.179270752        -1.348755457    
H          2.142710717        -2.534339953        -1.717804703    
H          3.698023439        -2.719877073        -1.719551807    
O          2.206875507        0.4058725011        -1.524539011    
H          2.661499366       -0.4525165348        -1.548653703    
H          1.410659150        0.2447303078       -0.9647864172    
O        -0.7127355898        -1.122321402        -3.652905516    
H        -0.8270076729        -1.292804484        -4.587969885    
H        -0.2507718377       -0.2413475810        -3.591513444    
O         -3.320520831        -2.178590687       -0.1414979009E-01
H         -3.259480345        -1.666542580       -0.8698832610    
H         -4.072926876        -2.763073048       -0.1020694385    
O          3.276076341        0.5929913626         2.142720968    
H          4.002669932        0.8288465395         2.718302859    
H          3.291093707         1.242843290         1.384052830    
O         -2.984357523         2.046973199         1.390539373    
H         -3.823709462         2.449670648         1.612036811    
H         -3.044079397         1.099250561         1.722261674    
O          2.826666251        -2.055016881         1.421614763    
H          2.994488914        -1.131691528         1.673307648    
H          2.880229766        -2.088142150        0.4506196914    
O         0.2705385307E-01   -0.8641055863E-01   -0.8248071312E-01
H        -0.7403929789        0.4017121246       -0.4489855652    
H        -0.2124721811        -1.039881183       -0.9472002251E-01
O         0.7187171434        -3.036091691        -2.283294349    
H         0.2658938738        -2.368230495        -2.829647161    
H         0.1934646789        -3.073314014        -1.464366665    
O          3.199898959         2.265806104        0.1366406643    
H          2.429250115         2.855682869        0.1936103777    
H          2.972795598         1.633575541       -0.5762303134    
O         0.5732157262        0.6741224484         2.426550806    
H          1.541293073        0.6336424602         2.496256431    
H         0.3711393685        0.3840750411         1.508467111    
O         -3.053290558       -0.8130732621        -2.227570828    
H         -2.827850160        0.5867856826E-01    -1.857977576    
H         -2.263177095        -1.067214816        -2.737369830    
    63
Energy=    -106.837823962910    
O         0.5887760551         1.152777921        -3.532836327    
H         0.1482188045         1.905253548        -3.111386428    
H          1.311687026        0.9112174593        -2.917326583    
O        -0.5405351227         3.077327120         2.136515545    
H         -1.443618029         2.810954631         1.892141467    
H        -0.1039270136         2.237242749         2.399492103    
O        -0.4278510063         3.350294535        -2.071939363    
H        -0.5113107633         4.185232130        -2.532397381    
H         0.1296273431         3.513595825        -1.276612435    
O         0.9279443554         3.878793521        0.1749026814    
H         0.3433822314         3.552801014        0.9299450195    
H          1.158455433         4.780798037        0.3987852793    
O         -3.232080523       -0.4146735588         2.148345361    
H         -2.490359345       -0.7272746847         2.713478097    
H         -3.275230660        -1.029125975         1.397945711    
O         -2.018184345         1.384111114        -1.022141657    
H         -1.571448472         2.135493388        -1.441510876    
H         -2.416468004         1.706512574       -0.1893410147    
O         -1.057249155        -1.219006850         3.502179171    
H        -0.4765958511       -0.4626709196         3.300626793    
H        -0.5720668320        -1.991234424         3.177531354    
O         0.6134938500        -3.143497479         2.328419939    
H          1.447952203        -2.692578651         2.027721644    
H         0.8844369567        -3.988342282         2.686893240    
O        -0.6697173807        -2.664397698        0.1339972919E-01
H         -1.639171255        -2.617451305        0.9937589551E-01
H        -0.3035259670        -2.930212672        0.8780935022    
O          3.001337743        -2.179165800        -1.348663496    
H          2.142779529        -2.534260711        -1.717723472    
H          3.698124539        -2.719669434        -1.719545091    
O          2.206862201        0.4058821974        -1.524510371    
H          2.661535413       -0.4524883863        -1.548574738    
H          1.410635125        0.2447645154       -0.9647712899    
O        -0.7127900416        -1.122392934        -3.652794938    
H        -0.8269887807        -1.292858276        -4.587869550    
H        -0.2508286275       -0.2414168178        -3.591357736    
O         -3.320601964        -2.178598419       -0.1413415277E-01
H         -3.259613927        -1.666527705       -0.8698674908    
H         -4.073016049        -2.763075783       -0.1020098669    
O          3.276083343        0.5929478444         2.142736376    
H          4.002600039        0.8288862477         2.718375317    
H          3.291087271         1.242801909         1.384067943    
O         -2.984319701         2.046908056         1.390528041    
H         -3.823625593         2.449600540         1.612227989    
H         -3.044010670         1.099181349         1.722253933    
O          2.826705716        -2.055088674         1.421716808    
H          2.994456437        -1.131763023         1.673461062    
H          2.880321167        -2.088172803        0.4507175532    
O         0.2695808706E-01   -0.8637362300E-01   -0.8251300194E-01
H        -0.7404690274        0.4017194882       -0.4491013761    
H        -0.2125545351        -1.039860684       -0.9475992984E-01
O         0.7188142151        -3.036083458        -2.283218691    
H         0.2659618441        -2.368221687        -2.829567575    
H         0.1935740264        -3.073309482        -1.464289628    
O          3.199834970         2.265791623        0.1366941979    
H          2.429203779         2.855701880        0.1936396552    
H          2.972732652         1.633562570       -0.5761811370    
O         0.5732317213        0.6741886318         2.426478917    
H          1.541316379        0.6336642844         2.496186233    
H         0.3711161302        0.3841328296         1.508411072    
O         -3.053379661       -0.8130515535        -2.227537364    
H         -2.827924771        0.5870347484E-01    -1.857965380    
H         -2.263272408        -1.067239656        -2.737329806    
    63
Energy=    -106.837823964530    
O         0.5886895782         1.152692606        -3.532807269    
H         0.1482295924         1.905244913        -3.111388794    
H          1.311648190        0.9111237352        -2.917353584    
O        -0.5405328233         3.077357609         2.136460476    
H         -1.443615778         2.811012446         1.892050431    
H        -0.1039241152         2.237264912         2.399434711    
O        -0.4277888263         3.350313707        -2.071963822    
H        -0.5112944811         4.185258618        -2.532410359    
H         0.1297352462         3.513590134        -1.276662578    
O         0.9280069038         3.878851142        0.1749130702    
H         0.3434320250         3.552858194        0.9299444819    
H          1.158540945         4.780852858        0.3988028713    
O         -3.232088805       -0.4146896324         2.148341879    
H         -2.490366709       -0.7273179124         2.713461657    
H         -3.275319701        -1.029142176         1.397938538    
O         -2.018220040         1.384199288        -1.022232054    
H         -1.571408840         2.135587298        -1.441531588    
H         -2.416500755         1.706543855       -0.1894042739    
O         -1.057173696        -1.218979645         3.502096192    
H        -0.4765480546       -0.4626385613         3.300533191    
H        -0.5720386686        -1.991217519         3.177416052    
O         0.6134945770        -3.143574174         2.328272176    
H          1.447977272        -2.692679839         2.027608793    
H         0.8844317176        -3.988351065         2.686909168    
O        -0.6698072552        -2.664393354        0.1333283399E-01
H         -1.639258847        -2.617468496        0.9934679823E-01
H        -0.3035282443        -2.930197129        0.8779912934    
O          3.001413973        -2.179042796        -1.348632107    
H          2.142882935        -2.534192861        -1.717712099    
H          3.698240163        -2.719440090        -1.719601051    
O          2.206858726        0.4059001719        -1.524523567    
H          2.661594709       -0.4524475466        -1.548482774    
H          1.410639105        0.2448136034       -0.9647643769    
O        -0.7128292017        -1.122479066        -3.652625748    
H        -0.8270065182        -1.292975791        -4.587699756    
H        -0.2508748669       -0.2414988410        -3.591224716    
O         -3.320703804        -2.178595416       -0.1411096978E-01
H         -3.259750972        -1.666529698       -0.8698416521    
H         -4.073099089        -2.763112817       -0.1019545052    
O          3.276084992        0.5928911037         2.142742864    
H          4.002516074        0.8288877485         2.718478313    
H          3.291091335         1.242773499         1.384090745    
O         -2.984314570         2.046856657         1.390535627    
H         -3.823554872         2.449591040         1.612399040    
H         -3.043975121         1.099121177         1.722240172    
O          2.826818742        -2.055173557         1.421782756    
H          2.994454618        -1.131841087         1.673559647    
H          2.880467101        -2.088224024        0.4507846467    
O         0.2687630915E-01   -0.8634289261E-01   -0.8260987891E-01
H        -0.7405639622        0.4017115467       -0.4492290230    
H        -0.2126013153        -1.039827153       -0.9479688110E-01
O         0.7189606526        -3.036013296        -2.283147797    
H         0.2659874326        -2.368240471        -2.829504113    
H         0.1936879291        -3.073305723        -1.464240921    
O          3.199792459         2.265764248        0.1367697066    
H          2.429187208         2.855711070        0.1936884403    
H          2.972682041         1.633508466       -0.5760775193    
O         0.5732480514        0.6742129775         2.426361937    
H          1.541323374        0.6336025014         2.496133026    
H         0.3711003820        0.3841631811         1.508291298    
O         -3.053495132       -0.8130317486        -2.227492123    
H         -2.828017870        0.5871941009E-01    -1.857921606    
H         -2.263380323        -1.067257739        -2.737255846    
    63
Energy=    -106.837823965250    
O         0.5886652107         1.152686166        -3.532813375    
H         0.1482277475         1.905250196        -3.111394007    
H          1.311636479        0.9111208804        -2.917373596    
O        -0.5405296715         3.077358927         2.136440478    
H         -1.443621892         2.811036052         1.892022459    
H        -0.1039322581         2.237270167         2.399433507    
O        -0.4277693344         3.350324192        -2.071971072    
H        -0.5112616357         4.185279067        -2.532405082    
H         0.1297347863         3.513589842        -1.276653704    
O         0.9280083098         3.878858083        0.1749304040    
H         0.3434464339         3.552860100        0.9299757488    
H          1.158564815         4.780846387        0.3988241180    
O         -3.232122808       -0.4146750488         2.148333639    
H         -2.490407850       -0.7273232675         2.713455819    
H         -3.275386229        -1.029139934         1.397941011    
O         -2.018216013         1.384215712        -1.022255646    
H         -1.571414314         2.135614535        -1.441545295    
H         -2.416524153         1.706558093       -0.1894402629    
O         -1.057174915        -1.218983962         3.502034973    
H        -0.4765458554       -0.4626402295         3.300493772    
H        -0.5720195833        -1.991210458         3.177359122    
O         0.6135135105        -3.143594813         2.328299173    
H          1.447978345        -2.692705666         2.027591581    
H         0.8844684580        -3.988319026         2.687035576    
O        -0.6698187272        -2.664400332        0.1331530178E-01
H         -1.639268319        -2.617458537        0.9935331471E-01
H        -0.3035409473        -2.930196538        0.8779721549    
O          3.001438625        -2.179012062        -1.348650775    
H          2.142917192        -2.534176901        -1.717729589    
H          3.698276453        -2.719383875        -1.719651036    
O          2.206871033        0.4059156827        -1.524530850    
H          2.661609086       -0.4524359166        -1.548464138    
H          1.410651562        0.2448177824       -0.9647779714    
O        -0.7128374533        -1.122502244        -3.652565139    
H        -0.8270201902        -1.293029008        -4.587631686    
H        -0.2508854805       -0.2415185046        -3.591196973    
O         -3.320731900        -2.178588920       -0.1409313073E-01
H         -3.259780672        -1.666537069       -0.8698290154    
H         -4.073105556        -2.763136978       -0.1019378234    
O          3.276077112        0.5928767330         2.142750336    
H          4.002493224        0.8288756076         2.718508244    
H          3.291099725         1.242764665         1.384101919    
O         -2.984322733         2.046859217         1.390539454    
H         -3.823541882         2.449617266         1.612430326    
H         -3.043988489         1.099120118         1.722236245    
O          2.826858897        -2.055196196         1.421780151    
H          2.994479290        -1.131858474         1.673551714    
H          2.880520709        -2.088239869        0.4507796390    
O         0.2687026012E-01   -0.8633102801E-01   -0.8265100139E-01
H        -0.7405814572        0.4017151530       -0.4492598615    
H        -0.2125976226        -1.039812726       -0.9481441291E-01
O         0.7190048323        -3.035982905        -2.283137736    
H         0.2659800006        -2.368248074        -2.829504390    
H         0.1937175477        -3.073307134        -1.464243145    
O          3.199798972         2.265752441        0.1367945242    
H          2.429195039         2.855699008        0.1937076288    
H          2.972680845         1.633485472       -0.5760432025    
O         0.5732406494        0.6741911409         2.426324973    
H          1.541313342        0.6335567263         2.496117837    
H         0.3711138850        0.3841653934         1.508243568    
O         -3.053533314       -0.8130321583        -2.227473503    
H         -2.828048398        0.5871829915E-01    -1.857909525    
H         -2.263411620        -1.067263651        -2.737222288    
    63
Energy=    -106.837823965920    
O         0.5886228282         1.152637177        -3.532803364    
H         0.1482355725         1.905241977        -3.111400325    
H          1.311597833        0.9110835730        -2.917378303    
O        -0.5405217550         3.077385797         2.136367019    
H         -1.443612396         2.811073532         1.891940621    
H        -0.1039506370         2.237302052         2.399408386    
O        -0.4277268668         3.350349196        -2.072019627    
H        -0.5112502182         4.185316629        -2.532410668    
H         0.1297395186         3.513619178        -1.276676589    
O         0.9280236104         3.878878880        0.1749197449    
H         0.3434796118         3.552898687        0.9299781091    
H          1.158616432         4.780882342        0.3988418414    
O         -3.232089841       -0.4146810893         2.148356599    
H         -2.490379002       -0.7273401437         2.713474267    
H         -3.275414954        -1.029161226         1.397991274    
O         -2.018229014         1.384261235        -1.022322157    
H         -1.571429452         2.135676796        -1.441580832    
H         -2.416578443         1.706594985       -0.1895301725    
O         -1.057138296        -1.219016689         3.501978900    
H        -0.4764822734       -0.4626689920         3.300485515    
H        -0.5719776734        -1.991211824         3.177211060    
O         0.6134841724        -3.143612241         2.328243432    
H          1.447964948        -2.692749662         2.027532123    
H         0.8844469673        -3.988352278         2.687066007    
O        -0.6698820128        -2.664404330        0.1321215373E-01
H         -1.639317368        -2.617431422        0.9929565187E-01
H        -0.3036075303        -2.930194955        0.8778606979    
O          3.001507936        -2.178965480        -1.348613531    
H          2.142973033        -2.534127766        -1.717702925    
H          3.698344089        -2.719247715        -1.719671605    
O          2.206884959        0.4059325652        -1.524491331    
H          2.661612075       -0.4524151001        -1.548376576    
H          1.410646352        0.2448392018       -0.9647736823    
O        -0.7128562796        -1.122560798        -3.652435271    
H        -0.8270227297        -1.293160330        -4.587512852    
H        -0.2509113190       -0.2415779452        -3.591116526    
O         -3.320810180        -2.178562787       -0.1405068327E-01
H         -3.259864945        -1.666537386       -0.8698018122    
H         -4.073165088        -2.763137902       -0.1018862582    
O          3.276049203        0.5928657462         2.142766249    
H          4.002424800        0.8289008544         2.718563112    
H          3.291116580         1.242760753         1.384118820    
O         -2.984289367         2.046833174         1.390537008    
H         -3.823479638         2.449600191         1.612573036    
H         -3.043954126         1.099095764         1.722226619    
O          2.826946120        -2.055233142         1.421836200    
H          2.994523404        -1.131910916         1.673598608    
H          2.880649705        -2.088282901        0.4508557640    
O         0.2681828467E-01   -0.8628447029E-01   -0.8269497984E-01
H        -0.7406269138        0.4017455008       -0.4493222650    
H        -0.2126256391        -1.039764309       -0.9487585897E-01
O         0.7190919139        -3.035936955        -2.283123321    
H         0.2660200912        -2.368253636        -2.829515027    
H         0.1937800183        -3.073321407        -1.464265107    
O          3.199795340         2.265735005        0.1368387180    
H          2.429205687         2.855702642        0.1937202584    
H          2.972651873         1.633444449       -0.5759751419    
O         0.5732321400        0.6741535177         2.426292007    
H          1.541299085        0.6334918636         2.496077495    
H         0.3711175740        0.3841779022         1.508189942    
O         -3.053608019       -0.8130418656        -2.227450558    
H         -2.828112558        0.5871968736E-01    -1.857911920    
H         -2.263476121        -1.067295587        -2.737158489    
    63
Energy=    -106.837823967190    
O         0.5885751851         1.152585207        -3.532777598    
H         0.1482284665         1.905220577        -3.111382118    
H          1.311578138        0.9110440955        -2.917372353    
O        -0.5405547898         3.077414446         2.136346264    
H         -1.443614948         2.811050371         1.891865281    
H        -0.1039652930         2.237325077         2.399357958    
O        -0.4276458532         3.350368888        -2.072042280    
H        -0.5112462085         4.185353541        -2.532394059    
H         0.1298176309         3.513655441        -1.276702364    
O         0.9280750257         3.878930477        0.1749141608    
H         0.3434940495         3.552926526        0.9299381299    
H          1.158678830         4.780891841        0.3988738744    
O         -3.232112820       -0.4147043526         2.148397849    
H         -2.490350841       -0.7273702031         2.713444673    
H         -3.275440985        -1.029190134         1.398028283    
O         -2.018268148         1.384320222        -1.022406505    
H         -1.571418763         2.135738873        -1.441621151    
H         -2.416606220         1.706633823       -0.1895995164    
O         -1.057070048        -1.219045416         3.501914050    
H        -0.4764909631       -0.4626489283         3.300452278    
H        -0.5718630592        -1.991177827         3.177089576    
O         0.6134753571        -3.143669256         2.328142364    
H          1.447985718        -2.692814741         2.027503376    
H         0.8843932424        -3.988316457         2.687083933    
O        -0.6699255105        -2.664391391        0.1313769792E-01
H         -1.639363259        -2.617426073        0.9923700472E-01
H        -0.3036740332        -2.930243122        0.8777811581    
O          3.001560730        -2.178903409        -1.348556850    
H          2.143035759        -2.534062587        -1.717648329    
H          3.698416340        -2.719120524        -1.719722778    
O          2.206910478        0.4059615216        -1.524462405    
H          2.661636676       -0.4523952369        -1.548342910    
H          1.410637080        0.2448540111       -0.9647929015    
O        -0.7129110748        -1.122622501        -3.652342361    
H        -0.8269951899        -1.293231287        -4.587399967    
H        -0.2509796980       -0.2416251944        -3.590986275    
O         -3.320878761        -2.178578100       -0.1401583504E-01
H         -3.259976778        -1.666545671       -0.8697741074    
H         -4.073206808        -2.763178176       -0.1018331106    
O          3.276063840        0.5928303119         2.142787445    
H          4.002394863        0.8289146534         2.718597703    
H          3.291107548         1.242716388         1.384134775    
O         -2.984284977         2.046815175         1.390526157    
H         -3.823426380         2.449580693         1.612681763    
H         -3.043931445         1.099065588         1.722209514    
O          2.826979670        -2.055305096         1.421893794    
H          2.994561138        -1.131958417         1.673681976    
H          2.880732465        -2.088318616        0.4509031431    
O         0.2678372950E-01   -0.8624529475E-01   -0.8272844665E-01
H        -0.7406421058        0.4017999147       -0.4493913487    
H        -0.2126696531        -1.039725927       -0.9494415203E-01
O         0.7191643356        -3.035941024        -2.283121819    
H         0.2660855599        -2.368244815        -2.829475505    
H         0.1938480711        -3.073323169        -1.464238146    
O          3.199782791         2.265716746        0.1368709600    
H          2.429193421         2.855685245        0.1937558754    
H          2.972636366         1.633442483       -0.5759542835    
O         0.5732287957        0.6741742203         2.426259698    
H          1.541297101        0.6334842860         2.496017885    
H         0.3711196937        0.3842162674         1.508158286    
O         -3.053696033       -0.8130388010        -2.227411561    
H         -2.828186582        0.5873376998E-01    -1.857917833    
H         -2.263569766        -1.067331334        -2.737118533    
    63
Energy=    -106.837823969760    
O         0.5885448238         1.152515678        -3.532764053    
H         0.1481717550         1.905185660        -3.111469593    
H          1.311568814        0.9110889043        -2.917340857    
O        -0.5406198680         3.077487783         2.136264827    
H         -1.443655692         2.811105732         1.891701107    
H        -0.1040425926         2.237419526         2.399339657    
O        -0.4276091241         3.350479333        -2.072038587    
H        -0.5111329081         4.185471512        -2.532400698    
H         0.1297752864         3.513762855        -1.276644364    
O         0.9281095628         3.879022722        0.1749019862    
H         0.3435129416         3.553032010        0.9299137636    
H          1.158831652         4.780951110        0.3988912688    
O         -3.232080424       -0.4147317019         2.148448442    
H         -2.490266527       -0.7273398650         2.713457581    
H         -3.275501031        -1.029289142         1.398144524    
O         -2.018330327         1.384381751        -1.022532560    
H         -1.571464748         2.135782016        -1.441755770    
H         -2.416705048         1.706696853       -0.1897513504    
O         -1.056930699        -1.219111544         3.501831637    
H        -0.4764055796       -0.4626737394         3.300341913    
H        -0.5717493873        -1.991235555         3.176928473    
O         0.6134189907        -3.143791471         2.327957957    
H          1.447994974        -2.692984564         2.027447908    
H         0.8842142425        -3.988426561         2.687058690    
O        -0.6700225697        -2.664330913        0.1305792688E-01
H         -1.639470549        -2.617364100        0.9908012740E-01
H        -0.3038086996        -2.930301864        0.8776778703    
O          3.001711336        -2.178840225        -1.348457238    
H          2.143172214        -2.533958101        -1.717545423    
H          3.698561986        -2.718917535        -1.719836388    
O          2.206880441        0.4059978666        -1.524419772    
H          2.661652015       -0.4523381206        -1.548197189    
H          1.410570311        0.2449038574       -0.9647906013    
O        -0.7130141628        -1.122724704        -3.652077797    
H        -0.8270502166        -1.293570809        -4.587106180    
H        -0.2511034065       -0.2417124832        -3.590881432    
O         -3.320991455        -2.178657151       -0.1399617609E-01
H         -3.260121876        -1.666543128       -0.8697006260    
H         -4.073346715        -2.763237050       -0.1018230298    
O          3.276079124        0.5928142255         2.142844719    
H          4.002342828        0.8289416495         2.718749454    
H          3.291140332         1.242711135         1.384203953    
O         -2.984281113         2.046785660         1.390471929    
H         -3.823339558         2.449599379         1.612874959    
H         -3.043867361         1.099044023         1.722159237    
O          2.827089536        -2.055395941         1.422008419    
H          2.994743477        -1.132068958         1.673777196    
H          2.880926086        -2.088450838        0.4510269808    
O         0.2676755882E-01   -0.8624772467E-01   -0.8284510376E-01
H        -0.7406475974        0.4018810155       -0.4494029365    
H        -0.2127416048        -1.039716766       -0.9507620426E-01
O         0.7193140120        -3.035925194        -2.283125057    
H         0.2662206304        -2.368206179        -2.829449847    
H         0.1939632753        -3.073350108        -1.464277039    
O          3.199872620         2.265712753        0.1369041027    
H          2.429301220         2.855699616        0.1938114381    
H          2.972688204         1.633415135       -0.5758970426    
O         0.5732440950        0.6742847885         2.426136230    
H          1.541306701        0.6334541766         2.495932487    
H         0.3710960085        0.3842649376         1.508062034    
O         -3.053881141       -0.8130455831        -2.227370920    
H         -2.828378975        0.5875489180E-01    -1.857942803    
H         -2.263714993        -1.067403335        -2.736982675    
    63
Energy=    -106.837823970500    
O         0.5885262991         1.152467934        -3.532744112    
H         0.1481506898         1.905167910        -3.111496621    
H          1.311561297        0.9110955977        -2.917310305    
O        -0.5406555450         3.077515134         2.136247455    
H         -1.443673739         2.811093794         1.891656034    
H        -0.1040437050         2.237455663         2.399308154    
O        -0.4276267810         3.350538975        -2.072022252    
H        -0.5110809770         4.185523659        -2.532405226    
H         0.1297871584         3.513806450        -1.276644508    
O         0.9281713027         3.879043244        0.1749128334    
H         0.3435015384         3.553081416        0.9298827789    
H          1.158886764         4.780963982        0.3988928966    
O         -3.232052451       -0.4147399545         2.148471773    
H         -2.490236433       -0.7273592036         2.713481270    
H         -3.275506144        -1.029328275         1.398199267    
O         -2.018361898         1.384395700        -1.022593018    
H         -1.571494292         2.135792564        -1.441809591    
H         -2.416721242         1.706737134       -0.1898098164    
O         -1.056895318        -1.219106167         3.501808147    
H        -0.4763362780       -0.4627055663         3.300282288    
H        -0.5717558245        -1.991253673         3.176906932    
O         0.6134018046        -3.143840897         2.327848711    
H          1.448011570        -2.693076770         2.027380434    
H         0.8841361818        -3.988465253         2.687012497    
O        -0.6700544509        -2.664293518        0.1298900582E-01
H         -1.639500133        -2.617350772        0.9905027339E-01
H        -0.3038446186        -2.930280182        0.8776048512    
O          3.001771197        -2.178811920        -1.348422143    
H          2.143236122        -2.533964886        -1.717493207    
H          3.698623330        -2.718824393        -1.719874289    
O          2.206867698        0.4060181553        -1.524419103    
H          2.661648729       -0.4523120557        -1.548143941    
H          1.410549220        0.2449164898       -0.9647932296    
O        -0.7130611655        -1.122755036        -3.651998706    
H        -0.8270745990        -1.293669694        -4.587002747    
H        -0.2511562692       -0.2417321133        -3.590839497    
O         -3.321035344        -2.178690413       -0.1397908320E-01
H         -3.260186027        -1.666539620       -0.8696688646    
H         -4.073401438        -2.763249848       -0.1018233485    
O          3.276100212        0.5927927712         2.142876894    
H          4.002318908        0.8289629371         2.718810646    
H          3.291167336         1.242696275         1.384247381    
O         -2.984283648         2.046767733         1.390419762    
H         -3.823290463         2.449619559         1.612953687    
H         -3.043861797         1.099030766         1.722121763    
O          2.827151114        -2.055458057         1.422063597    
H          2.994799032        -1.132119425         1.673830385    
H          2.880990397        -2.088490945        0.4510776645    
O         0.2672418007E-01   -0.8623844849E-01   -0.8284203866E-01
H        -0.7406699306        0.4018942490       -0.4494474982    
H        -0.2127846251        -1.039705932       -0.9512877681E-01
O         0.7194054718        -3.035918869        -2.283092866    
H         0.2663028322        -2.368197872        -2.829411173    
H         0.1940156081        -3.073380780        -1.464267090    
O          3.199903694         2.265704138        0.1369314363    
H          2.429341312         2.855706664        0.1938155261    
H          2.972714024         1.633437167       -0.5758895082    
O         0.5732359578        0.6743116933         2.426101884    
H          1.541296343        0.6335048413         2.495889487    
H         0.3710895925        0.3842980974         1.508024202    
O         -3.053968426       -0.8130592432        -2.227338791    
H         -2.828471517        0.5876962521E-01    -1.857962411    
H         -2.263790731        -1.067432938        -2.736916669    
    63
Energy=    -106.837823970590    
O         0.5885109660         1.152458993        -3.532735716    
H         0.1481435157         1.905161753        -3.111503267    
H          1.311555644        0.9110949693        -2.917304072    
O        -0.5406714503         3.077520402         2.136237690    
H         -1.443682021         2.811083801         1.891638134    
H        -0.1040480433         2.237467714         2.399293218    
O        -0.4276257851         3.350564656        -2.072015843    
H        -0.5110603017         4.185547148        -2.532400744    
H         0.1297933638         3.513819871        -1.276641092    
O         0.9281912682         3.879038775        0.1749220324    
H         0.3434991695         3.553095003        0.9298764829    
H          1.158909103         4.780969236        0.3989079945    
O         -3.232051436       -0.4147454243         2.148485728    
H         -2.490235523       -0.7273686963         2.713483395    
H         -3.275517609        -1.029342158         1.398217384    
O         -2.018375670         1.384405465        -1.022615644    
H         -1.571500234         2.135802945        -1.441833139    
H         -2.416727590         1.706749439       -0.1898381630    
O         -1.056880637        -1.219107975         3.501791773    
H        -0.4763221199       -0.4627093048         3.300260334    
H        -0.5717467681        -1.991254708         3.176882712    
O         0.6133988524        -3.143858245         2.327828183    
H          1.448019321        -2.693098768         2.027363321    
H         0.8841195373        -3.988457692         2.687035529    
O        -0.6700712927        -2.664282690        0.1296190162E-01
H         -1.639512723        -2.617341609        0.9903202086E-01
H        -0.3038542205        -2.930270266        0.8775745655    
O          3.001788965        -2.178801545        -1.348412621    
H          2.143260021        -2.533968284        -1.717480536    
H          3.698650556        -2.718793180        -1.719895076    
O          2.206870243        0.4060264020        -1.524412372    
H          2.661655888       -0.4523054459        -1.548136584    
H          1.410550771        0.2449276504       -0.9648014651    
O        -0.7130751780        -1.122766615        -3.651959297    
H        -0.8270822192        -1.293702706        -4.586970947    
H        -0.2511787031       -0.2417413214        -3.590816804    
O         -3.321058112        -2.178702842       -0.1396550764E-01
H         -3.260213110        -1.666542414       -0.8696536360    
H         -4.073411752        -2.763263543       -0.1018193611    
O          3.276113706        0.5927797286         2.142886757    
H          4.002313229        0.8289633026         2.718824500    
H          3.291178527         1.242686690         1.384257855    
O         -2.984288019         2.046764810         1.390399298    
H         -3.823274722         2.449628083         1.612973623    
H         -3.043868882         1.099026310         1.722101763    
O          2.827178813        -2.055479190         1.422076536    
H          2.994819784        -1.132143380         1.673847875    
H          2.881018881        -2.088508562        0.4510935785    
O         0.2670973187E-01   -0.8622374111E-01   -0.8284628054E-01
H        -0.7406748941        0.4019019137       -0.4494660759    
H        -0.2127999708        -1.039698242       -0.9515126365E-01
O         0.7194356789        -3.035913720        -2.283085319    
H         0.2663343673        -2.368195478        -2.829397105    
H         0.1940326386        -3.073392702        -1.464265778    
O          3.199912799         2.265697800        0.1369443849    
H          2.429355891         2.855705203        0.1938202940    
H          2.972725566         1.633441286       -0.5758874912    
O         0.5732291515        0.6743155598         2.426092992    
H          1.541295077        0.6335186202         2.495879951    
H         0.3710862205        0.3843112847         1.508012510    
O         -3.054004398       -0.8130592942        -2.227320707    
H         -2.828509897        0.5877071174E-01    -1.857966536    
H         -2.263822862        -1.067448184        -2.736896392    
    63
Energy=    -106.837823970960    
O         0.5885077983         1.152477143        -3.532744698    
H         0.1481229639         1.905167333        -3.111500167    
H          1.311536291        0.9110931626        -2.917303146    
O        -0.5406709662         3.077526321         2.136220221    
H         -1.443680888         2.811067284         1.891635685    
H        -0.1040514554         2.237474504         2.399278644    
O        -0.4276484434         3.350587698        -2.072016055    
H        -0.5110283085         4.185567785        -2.532417050    
H         0.1297784770         3.513819196        -1.276637844    
O         0.9281957178         3.879023676        0.1749248620    
H         0.3435037844         3.553091221        0.9298830607    
H          1.158913463         4.780957438        0.3989106784    
O         -3.232049536       -0.4147323571         2.148503241    
H         -2.490229649       -0.7273736429         2.713488796    
H         -3.275529063        -1.029323406         1.398230306    
O         -2.018387068         1.384409352        -1.022638764    
H         -1.571522110         2.135808106        -1.441867803    
H         -2.416741710         1.706750109       -0.1898599577    
O         -1.056853140        -1.219131314         3.501786610    
H        -0.4763121815       -0.4627270097         3.300226988    
H        -0.5717368134        -1.991286076         3.176866025    
O         0.6134021738        -3.143874021         2.327830511    
H          1.448021177        -2.693124468         2.027355930    
H         0.8841263924        -3.988470868         2.687056365    
O        -0.6700863280        -2.664290638        0.1293511866E-01
H         -1.639530685        -2.617328518        0.9901031622E-01
H        -0.3038353838        -2.930253880        0.8775386198    
O          3.001806325        -2.178809172        -1.348409137    
H          2.143278884        -2.533977632        -1.717474401    
H          3.698682491        -2.718764380        -1.719914909    
O          2.206884283        0.4060312243        -1.524393428    
H          2.661662972       -0.4523075162        -1.548146293    
H          1.410546216        0.2449472560       -0.9648048957    
O        -0.7130712869        -1.122774304        -3.651935772    
H        -0.8270838003        -1.293721587        -4.586946412    
H        -0.2511823487       -0.2417491521        -3.590810069    
O         -3.321076980        -2.178685751       -0.1394245138E-01
H         -3.260228225        -1.666538700       -0.8696343421    
H         -4.073415886        -2.763268273       -0.1018045954    
O          3.276120791        0.5927763296         2.142896316    
H          4.002294660        0.8289833897         2.718861205    
H          3.291188927         1.242684684         1.384268165    
O         -2.984284169         2.046781321         1.390386043    
H         -3.823256834         2.449661482         1.612991467    
H         -3.043879534         1.099046138         1.722081600    
O          2.827197093        -2.055496743         1.422084298    
H          2.994821046        -1.132162142         1.673867852    
H          2.881025981        -2.088524100        0.4511012357    
O         0.2669064001E-01   -0.8621716557E-01   -0.8285317283E-01
H        -0.7406969983        0.4018951710       -0.4494803042    
H        -0.2128160655        -1.039683825       -0.9515680647E-01
O         0.7194576838        -3.035927045        -2.283082954    
H         0.2663721859        -2.368184386        -2.829390659    
H         0.1940519805        -3.073413681        -1.464271071    
O          3.199924725         2.265696289        0.1369496955    
H          2.429375456         2.855712219        0.1938264340    
H          2.972754030         1.633445290       -0.5758930790    
O         0.5732160688        0.6743061130         2.426098200    
H          1.541286155        0.6335371895         2.495882528    
H         0.3710715323        0.3843173535         1.508015226    
O         -3.054027866       -0.8130665792        -2.227313200    
H         -2.828548510        0.5877367680E-01    -1.857962917    
H         -2.263845030        -1.067469522        -2.736876410    
