    20
Energy=    -1736.27556670900    
H          1.576610168         2.840676835         7.093877676    
H         -1.707580502       -0.1720113515         4.666329517    
H          1.554197598        0.3326977468         7.429350995    
H          3.373940223        0.4678954290E-02     5.797318175    
H          1.581072965        -1.615102353         4.435960250    
H          1.190849861        0.4617061396         2.445035488    
H          2.958845894         2.147694915         3.884530748    
H         -2.068398574         2.232448440         4.862764571    
H        -0.4668312875         3.714901711         6.069258045    
H         0.3815911296E-01    -1.093751833         6.238784292    
C         0.2848402178       -0.1870492201         5.664288568    
C          1.406396186       -0.5454746006         4.602761032    
C          1.609890530        0.4132977339         3.454777467    
C         -1.165004852         1.786246553         5.279194496    
C        -0.9614234879        0.4585709320         5.158349878    
C         0.9024979037         2.175640014         6.549406900    
C          1.287657572        0.7349675075         6.436928765    
C          2.421161276        0.3786949224         5.393013416    
C        -0.2201515256         2.654022074         5.981021144    
C          2.459246002         1.210375320         4.130591089    
    20
Energy=    -1736.27556663000    
H          1.576637122         2.840658411         7.093866892    
H         -1.707564024       -0.1720100907         4.666316993    
H          1.554205389        0.3327118229         7.429336726    
H          3.373951932        0.4655371196E-02     5.797315292    
H          1.581083848        -1.615100967         4.435927853    
H          1.190825951        0.4617437395         2.445030580    
H          2.958853422         2.147685121         3.884522956    
H         -2.068433238         2.232440960         4.862790554    
H        -0.4668548210         3.714887722         6.069307657    
H         0.3817355705E-01    -1.093753383         6.238776851    
C         0.2848410466       -0.1870436214         5.664282604    
C          1.406402777       -0.5454749401         4.602753694    
C          1.609889776        0.4133028978         3.454766980    
C         -1.165023267         1.786249530         5.279214576    
C        -0.9614276019        0.4585802872         5.158354137    
C         0.9025039797         2.175637770         6.549411031    
C          1.287654072        0.7349711922         6.436917849    
C          2.421173425        0.3786915916         5.393016236    
C        -0.2201702858         2.654023407         5.981039885    
C          2.459252751         1.210373553         4.130591018    
    20
Energy=    -1736.27556649200    
H          1.576664802         2.840634565         7.093826960    
H         -1.707519876       -0.1720049031         4.666260967    
H          1.554218774        0.3327045109         7.429308089    
H          3.373966813        0.4626731660E-02     5.797317221    
H          1.581096951        -1.615087224         4.435866154    
H          1.190731305        0.4618401908         2.445065994    
H          2.958882456         2.147659494         3.884507664    
H         -2.068491660         2.232410970         4.862881990    
H        -0.4669136385         3.714870482         6.069437057    
H         0.3819237452E-01    -1.093738228         6.238754421    
C         0.2848592826       -0.1870354550         5.664249390    
C          1.406415900       -0.5454675662         4.602728518    
C          1.609883024        0.4133378726         3.454768326    
C         -1.165064904         1.786257010         5.279276345    
C        -0.9614128778        0.4585739386         5.158329008    
C         0.9025264006         2.175628165         6.549386476    
C          1.287667244        0.7349651112         6.436888175    
C          2.421200077        0.3786734982         5.393007265    
C        -0.2202073577         2.654025934         5.981087836    
C          2.459281078         1.210355678         4.130588021    
    20
Energy=    -1736.27556636800    
H          1.576689591         2.840616794         7.093781538    
H         -1.707474514       -0.1720039033         4.666189277    
H          1.554231604        0.3326862484         7.429276289    
H          3.373982262        0.4600862178E-02     5.797321948    
H          1.581107584        -1.615070357         4.435801427    
H          1.190618100        0.4619484540         2.445118763    
H          2.958917369         2.147630089         3.884492255    
H         -2.068557789         2.232378942         4.862987500    
H        -0.4669798672         3.714860620         6.069582532    
H         0.3821001000E-01    -1.093716983         6.238727908    
C         0.2848834961       -0.1870325758         5.664209707    
C          1.406430527       -0.5454590373         4.602699948    
C          1.609867172        0.4133779518         3.454767969    
C         -1.165098405         1.786230943         5.279347150    
C        -0.9613926174        0.4585978221         5.158298873    
C         0.9025337768         2.175622106         6.549341975    
C          1.287687841        0.7349554791         6.436854691    
C          2.421227840        0.3786521703         5.392993620    
C        -0.2202294790         2.654015696         5.981149746    
C          2.459322012         1.210340242         4.130587424    
    20
Energy=    -1736.27556628300    
H          1.576691176         2.840615895         7.093758781    
H         -1.707455499       -0.1720021345         4.666152879    
H          1.554235297        0.3326680870         7.429267061    
H          3.373982694        0.4599324983E-02     5.797325534    
H          1.581108964        -1.615058842         4.435778606    
H          1.190563739        0.4619952266         2.445156221    
H          2.958936749         2.147619167         3.884488024    
H         -2.068578585         2.232363426         4.863041168    
H        -0.4670082907         3.714859502         6.069645640    
H         0.3821289442E-01    -1.093703681         6.238715148    
C         0.2848994737       -0.1870319515         5.664186633    
C          1.406431617       -0.5454542725         4.602684026    
C          1.609858021        0.4133989698         3.454776693    
C         -1.165113712         1.786221235         5.279378786    
C        -0.9613770384        0.4585938189         5.158278036    
C         0.9025420102         2.175616534         6.549317775    
C          1.287706288        0.7349470095         6.436838989    
C          2.421240958        0.3786368317         5.392977819    
C        -0.2202433699         2.654015608         5.981178242    
C          2.459342914         1.210332476         4.130583081    
    20
Energy=    -1736.27556619800    
H          1.576691559         2.840620942         7.093744923    
H         -1.707444748       -0.1720014380         4.666126908    
H          1.554236798        0.3326522462         7.429263287    
H          3.373981963        0.4602423721E-02     5.797327813    
H          1.581108548        -1.615049276         4.435765631    
H          1.190526193        0.4620246399         2.445185912    
H          2.958951970         2.147613971         3.884487507    
H         -2.068589285         2.232353589         4.863078007    
H        -0.4670260331         3.714860466         6.069684006    
H         0.3821299115E-01    -1.093692966         6.238705677    
C         0.2849110788       -0.1870320908         5.664169813    
C          1.406429770       -0.5454507296         4.602673211    
C          1.609851632        0.4134121700         3.454784710    
C         -1.165125617         1.786212538         5.279397074    
C        -0.9613646862        0.4585880426         5.158263045    
C         0.9025409067         2.175613937         6.549298368    
C          1.287722337        0.7349403486         6.436829833    
C          2.421249446        0.3786242534         5.392963593    
C        -0.2202454580         2.654012091         5.981201242    
C          2.459357038         1.210327318         4.130577770    
    20
Energy=    -1736.27556604200    
H          1.576694135         2.840629571         7.093738374    
H         -1.707437442       -0.1719997147         4.666110878    
H          1.554236561        0.3326417025         7.429258332    
H          3.373983363        0.4604471690E-02     5.797329297    
H          1.581107394        -1.615045265         4.435757776    
H          1.190499268        0.4620423815         2.445202615    
H          2.958964004         2.147612837         3.884488441    
H         -2.068593345         2.232346449         4.863102009    
H        -0.4670358028         3.714859174         6.069704615    
H         0.3821143551E-01    -1.093688090         6.238700063    
C         0.2849161567       -0.1870311295         5.664159864    
C          1.406429325       -0.5454483369         4.602667441    
C          1.609848789        0.4134213258         3.454791156    
C         -1.165137171         1.786215148         5.279404819    
C        -0.9613563078        0.4585758556         5.158253524    
C         0.9025274642         2.175615130         6.549282969    
C          1.287732304        0.7349363679         6.436825683    
C          2.421256591        0.3786176915         5.392955827    
C        -0.2202339197         2.654002578         5.981221113    
C          2.459363569         1.210324324         4.130573035    
    20
Energy=    -1736.27556598800    
H          1.576672611         2.840659610         7.093688692    
H         -1.707395214       -0.1719833216         4.666050617    
H          1.554215484        0.3326124016         7.429204010    
H          3.373998390        0.4590625836E-02     5.797356786    
H          1.581089822        -1.615060747         4.435728412    
H          1.190393747        0.4621160151         2.445256722    
H          2.959028540         2.147633438         3.884482334    
H         -2.068623516         2.232320563         4.863202817    
H        -0.4670561842         3.714829138         6.069796124    
H         0.3819722629E-01    -1.093693277         6.238686160    
C         0.2849329337       -0.1870460048         5.664142990    
C          1.406438995       -0.5454572691         4.602659664    
C          1.609811184        0.4134623328         3.454804356    
C         -1.165114269         1.786183462         5.279436619    
C        -0.9613315920        0.4585884071         5.158232862    
C         0.9025612376         2.175604281         6.549276216    
C          1.287744556        0.7349339446         6.436779005    
C          2.421287595        0.3786099951         5.392931490    
C        -0.2202740150         2.653984549         5.981255982    
C          2.459399611         1.210344069         4.130554123    
    20
Energy=    -1736.27556586200    
H          1.576665768         2.840687287         7.093665514    
H         -1.707369844       -0.1719709255         4.666020261    
H          1.554199775        0.3325989802         7.429163502    
H          3.374012738        0.4579591630E-02     5.797372404    
H          1.581077794        -1.615078302         4.435712129    
H          1.190328596        0.4621540784         2.445275271    
H          2.959069281         2.147649889         3.884480962    
H         -2.068635177         2.232304605         4.863257883    
H        -0.4670607753         3.714799852         6.069837045    
H         0.3818558634E-01    -1.093704479         6.238681097    
C         0.2849344854       -0.1870521106         5.664138993    
C          1.406449385       -0.5454619054         4.602659333    
C          1.609793491        0.4134862020         3.454811819    
C         -1.165108076         1.786182797         5.279443551    
C        -0.9613189963        0.4585811922         5.158224265    
C         0.9025631720         2.175600404         6.549276188    
C          1.287745356        0.7349360685         6.436756199    
C          2.421310417        0.3786125888         5.392926493    
C        -0.2202779573         2.653967656         5.981280189    
C          2.459412564         1.210358127         4.130542087    
    20
Energy=    -1736.27556578300    
H          1.576660168         2.840692057         7.093657160    
H         -1.707358763       -0.1719635280         4.666016891    
H          1.554191871        0.3326010265         7.429144270    
H          3.374017256        0.4570169720E-02     5.797381019    
H          1.581072888        -1.615091414         4.435708272    
H          1.190315637        0.4621636379         2.445272175    
H          2.959081242         2.147659680         3.884476724    
H         -2.068637254         2.232298406         4.863272359    
H        -0.4670591576         3.714789097         6.069849207    
H         0.3818185348E-01    -1.093714231         6.238683055    
C         0.2849316454       -0.1870555426         5.664143313    
C          1.406455148       -0.5454666517         4.602662794    
C          1.609786511        0.4134953603         3.454814076    
C         -1.165099664         1.786189701         5.279443753    
C        -0.9613161315        0.4585793801         5.158225798    
C         0.9025669019         2.175598678         6.549278341    
C          1.287738803        0.7349388475         6.436745820    
C          2.421317362        0.3786183174         5.392928820    
C        -0.2202829159         2.653962767         5.981282456    
C          2.459414330         1.210365455         4.130538523    
    20
Energy=    -1736.27556537600    
H          1.576656961         2.840692977         7.093648020    
H         -1.707344314       -0.1719571646         4.666009961    
H          1.554191576        0.3325923870         7.429131703    
H          3.374027691        0.4569154923E-02     5.797379977    
H          1.581072684        -1.615096301         4.435697492    
H          1.190278548        0.4621806437         2.445277903    
H          2.959097992         2.147665144         3.884477257    
H         -2.068638670         2.232293102         4.863290093    
H        -0.4670563772         3.714771351         6.069852125    
H         0.3817807746E-01    -1.093720132         6.238679514    
C         0.2849313777       -0.1870514529         5.664143004    
C          1.406460526       -0.5454618233         4.602663988    
C          1.609785209        0.4135138929         3.454823716    
C         -1.165102884         1.786222820         5.279452191    
C        -0.9613174021        0.4585424738         5.158215449    
C         0.9025929581         2.175591726         6.549298578    
C          1.287735446        0.7349371923         6.436742208    
C          2.421327245        0.3786229041         5.392930518    
C        -0.2203066757         2.653962003         5.981277759    
C          2.459407956         1.210360320         4.130533347    
    20
Energy=    -1736.27556532100    
H          1.576700429         2.840805818         7.093629554    
H         -1.707342513       -0.1719846287         4.665895713    
H          1.554193641        0.3325111875         7.429106774    
H          3.374097802        0.4597209311E-02     5.797356257    
H          1.581056333        -1.615059118         4.435647878    
H          1.190042995        0.4622598503         2.445356349    
H          2.959177970         2.147631452         3.884531994    
H         -2.068702349         2.232298832         4.863381077    
H        -0.4670679919         3.714695719         6.069880488    
H         0.3814847358E-01    -1.093705289         6.238640609    
C         0.2849492630       -0.1870506767         5.664102426    
C          1.406495657       -0.5454378353         4.602640553    
C          1.609784619        0.4135416829         3.454798136    
C         -1.165129708         1.786139610         5.279479699    
C        -0.9613218948        0.4585661404         5.158170198    
C         0.9025910404         2.175603124         6.549369621    
C          1.287773310        0.7349402367         6.436744193    
C          2.421371488        0.3786287039         5.392920641    
C        -0.2202800685         2.653881241         5.981332117    
C          2.459439976         1.210367950         4.130539050    
    20
Energy=    -1736.27556499800    
H          1.576726324         2.840847805         7.093625878    
H         -1.707345454       -0.1720041444         4.665840299    
H          1.554209789        0.3324585308         7.429118206    
H          3.374129718        0.4628811644E-02     5.797328183    
H          1.581059126        -1.615022940         4.435619581    
H          1.189918936        0.4622998737         2.445411612    
H          2.959211315         2.147603661         3.884564790    
H         -2.068729348         2.232306562         4.863418663    
H        -0.4670752254         3.714663791         6.069877144    
H         0.3813866641E-01    -1.093684618         6.238613861    
C         0.2849641820       -0.1870388394         5.664072778    
C          1.406502906       -0.5454111015         4.602624676    
C          1.609788869        0.4135561314         3.454791200    
C         -1.165160400         1.786117405         5.279503123    
C        -0.9613290243        0.4585436415         5.158133868    
C         0.9026076407         2.175601881         6.549411300    
C          1.287802125        0.7349326668         6.436761242    
C          2.421391691        0.3786206366         5.392912086    
C        -0.2202832350         2.653855937         5.981352995    
C          2.459449874         1.210356143         4.130541685    
    20
Energy=    -1736.27556455100    
H          1.576751244         2.840889674         7.093631214    
H         -1.707361303       -0.1720219987         4.665799358    
H          1.554223953        0.3324197318         7.429148661    
H          3.374139687        0.4663667535E-02     5.797303415    
H          1.581061422        -1.614982376         4.435609452    
H          1.189854412        0.4623136350         2.445459156    
H          2.959222126         2.147572900         3.884596786    
H         -2.068743984         2.232315177         4.863437948    
H        -0.4670876991         3.714651452         6.069875703    
H         0.3813234669E-01    -1.093653100         6.238592917    
C         0.2849814462       -0.1870265005         5.664039531    
C          1.406498050       -0.5453865200         4.602605796    
C          1.609802773        0.4135444612         3.454778589    
C         -1.165200627         1.786095923         5.279515610    
C        -0.9613321881        0.4585145867         5.158100689    
C         0.9026092660         2.175604656         6.549430231    
C          1.287837930        0.7349263287         6.436781850    
C          2.421400352        0.3785989661         5.392897669    
C        -0.2202743041         2.653849112         5.981374215    
C          2.459463515         1.210342545         4.130544130    
    20
Energy=    -1736.27556368900    
H          1.576774572         2.840890669         7.093638162    
H         -1.707357147       -0.1720393110         4.665768668    
H          1.554253584        0.3323679115         7.429169346    
H          3.374164469        0.4695433558E-02     5.797271267    
H          1.581079550        -1.614948079         4.435575839    
H          1.189754532        0.4623594521         2.445517387    
H          2.959240876         2.147551352         3.884614640    
H         -2.068744255         2.232316257         4.863465735    
H        -0.4670917895         3.714640003         6.069852892    
H         0.3813775915E-01    -1.093633086         6.238564148    
C         0.2849886942       -0.1870117777         5.664018474    
C          1.406488119       -0.5453656781         4.602599287    
C          1.609766933        0.4135532087         3.454779137    
C         -1.165243803         1.786099835         5.279531917    
C        -0.9613324551        0.4584794934         5.158075670    
C         0.9025871276         2.175589968         6.549422341    
C          1.287862115        0.7349098079         6.436806209    
C          2.421411759        0.3785856537         5.392891263    
C        -0.2202490461         2.653833932         5.981413107    
C          2.459486627         1.210357814         4.130547201    
    20
Energy=    -1736.27556306800    
H          1.576795574         2.840757950         7.093624413    
H         -1.707307903       -0.1721041308         4.665690681    
H          1.554366027        0.3321973151         7.429201113    
H          3.374284274        0.4768561187E-02     5.797174956    
H          1.581162329        -1.614857563         4.435435510    
H          1.189384646        0.4625551757         2.445693087    
H          2.959347509         2.147544902         3.884618609    
H         -2.068779049         2.232340031         4.863540907    
H        -0.4670802883         3.714634342         6.069744876    
H         0.3817539572E-01    -1.093606750         6.238465494    
C         0.2850031962       -0.1869863279         5.664002452    
C          1.406465674       -0.5453277148         4.602609336    
C          1.609625379        0.4136928339         3.454872937    
C         -1.165249299         1.786042220         5.279631670    
C        -0.9613494154        0.4585252725         5.158041641    
C         0.9026372453         2.175518430         6.549450135    
C          1.287882592        0.7348326693         6.436856944    
C          2.421437239        0.3785909466         5.392869926    
C        -0.2203109270         2.653759999         5.981460933    
C          2.459488077         1.210356828         4.130537120    
    20
Energy=    -1736.27556147100    
H          1.576807657         2.840597169         7.093617324    
H         -1.707228677       -0.1721451603         4.665654963    
H          1.554472226        0.3320541765         7.429189504    
H          3.374396904        0.4810068891E-02     5.797091067    
H          1.581251550        -1.614831468         4.435286069    
H          1.189043225        0.4627574431         2.445819083    
H          2.959443891         2.147568544         3.884594851    
H         -2.068761329         2.232331087         4.863623494    
H        -0.4670495779         3.714589874         6.069628125    
H         0.3822405851E-01    -1.093616704         6.238381481    
C         0.2849812873       -0.1869575088         5.664017196    
C          1.406444799       -0.5452970437         4.602645942    
C          1.609436607        0.4138396574         3.454973693    
C         -1.165279030         1.786058072         5.279694357    
C        -0.9613559317        0.4585382542         5.158031663    
C         0.9026318367         2.175413667         6.549415994    
C          1.287864576        0.7347700018         6.436903765    
C          2.421478492        0.3786149097         5.392889285    
C        -0.2203221631         2.653736930         5.981543008    
C          2.459498304         1.210404091         4.130521709    
    20
Energy=    -1736.27555905200    
H          1.576826548         2.840387852         7.093605873    
H         -1.707108430       -0.1721584566         4.665643893    
H          1.554564761        0.3319229241         7.429121657    
H          3.374513475        0.4822359177E-02     5.797032556    
H          1.581330721        -1.614786047         4.435109663    
H          1.188634053        0.4630269261         2.445971464    
H          2.959568819         2.147596257         3.884526160    
H         -2.068761013         2.232328941         4.863709243    
H        -0.4669795785         3.714562189         6.069499000    
H         0.3825341481E-01    -1.093710898         6.238332944    
C         0.2849778923       -0.1869945472         5.664062586    
C          1.406447305       -0.5452621691         4.602663183    
C          1.609226911        0.4140682387         3.455102477    
C         -1.165286947         1.786103936         5.279753860    
C        -0.9613379308        0.4585190094         5.158073977    
C         0.9026271073         2.175291203         6.549433160    
C          1.287842224        0.7346894026         6.436906274    
C          2.421529468        0.3786611347         5.392883519    
C        -0.2203453727         2.653687515         5.981573293    
C          2.459455922         1.210481966         4.130518006    
    20
Energy=    -1736.27555657400    
H          1.576917398         2.840113169         7.093629951    
H         -1.706939566       -0.1721614961         4.665659258    
H          1.554668600        0.3317557115         7.428973421    
H          3.374616112        0.4816873692E-02     5.796984993    
H          1.581401462        -1.614642570         4.434802195    
H          1.187941431        0.4635455109         2.446273057    
H          2.959714613         2.147606599         3.884391467    
H         -2.068788460         2.232331748         4.863812148    
H        -0.4667918851         3.714531471         6.069337691    
H         0.3826317696E-01    -1.093984948         6.238343353    
C         0.2850328459       -0.1871919577         5.664142705    
C          1.406463639       -0.5451659809         4.602602014    
C          1.608864920        0.4144374253         3.455229512    
C         -1.165261747         1.786007965         5.279792777    
C        -0.9612639418        0.4585207742         5.158238750    
C         0.9025537544         2.175090385         6.549509450    
C          1.287869055        0.7345498884         6.436857945    
C          2.421621930        0.3787074662         5.392811969    
C        -0.2202791025         2.653635979         5.981573680    
C          2.459376115         1.210736660         4.130556440    
    20
Energy=    -1736.27555408600    
H          1.576961128         2.839952350         7.093627119    
H         -1.706828039       -0.1721332438         4.665670617    
H          1.554701107        0.3316880541         7.428869251    
H          3.374645369        0.4814931597E-02     5.796971675    
H          1.581429689        -1.614559723         4.434663220    
H          1.187605133        0.4638025429         2.446466684    
H          2.959836872         2.147602811         3.884296651    
H         -2.068830000         2.232356390         4.863865263    
H        -0.4666958229         3.714540077         6.069245038    
H         0.3823672605E-01    -1.094160657         6.238375505    
C         0.2850758507       -0.1873126184         5.664179827    
C          1.406482618       -0.5450958000         4.602566155    
C          1.608700563        0.4146567314         3.455275996    
C         -1.165269834         1.786018499         5.279809432    
C        -0.9612069612        0.4584516210         5.158336629    
C         0.9025087178         2.175014716         6.549592945    
C          1.287889144        0.7344550331         6.436807906    
C          2.421715430        0.3787238127         5.392768594    
C        -0.2202653225         2.653594649         5.981536296    
C          2.459288720         1.210832605         4.130597882    
    20
Energy=    -1736.27555135000    
H          1.577008120         2.839854692         7.093647317    
H         -1.706782787       -0.1721386341         4.665692445    
H          1.554738320        0.3316253985         7.428815583    
H          3.374624991        0.4818104054E-02     5.796955359    
H          1.581438442        -1.614460161         4.434504345    
H          1.187285428        0.4640737902         2.446648863    
H          2.959875435         2.147638598         3.884232987    
H         -2.068843568         2.232343048         4.863889086    
H        -0.4665815110         3.714559633         6.069210047    
H         0.3823652814E-01    -1.094318517         6.238411795    
C         0.2851216523       -0.1874354636         5.664205304    
C          1.406475132       -0.5450319783         4.602515450    
C          1.608537192        0.4148329078         3.455247287    
C         -1.165217592         1.785950258         5.279828174    
C        -0.9611590417        0.4584100971         5.158428488    
C         0.9025062898         2.174979751         6.549667781    
C          1.287927631        0.7343626122         6.436778620    
C          2.421777611        0.3787245949         5.392712412    
C        -0.2202089490         2.653525955         5.981497899    
C          2.459222557         1.210929590         4.130633612    
    20
Energy=    -1736.27554591200    
H          1.577224642         2.839722446         7.093865694    
H         -1.706805523       -0.1722873753         4.665866800    
H          1.554992479        0.3313235700         7.428826775    
H          3.374516987        0.4826080159E-02     5.796827616    
H          1.581454109        -1.614104004         4.433716378    
H          1.185910270        0.4652469545         2.447061894    
H          2.959557939         2.148025625         3.884173909    
H         -2.068571125         2.232009538         4.863949393    
H        -0.4660615895         3.714476165         6.069278345    
H         0.3845136440E-01    -1.094769750         6.238459244    
C         0.2852377353       -0.1877864283         5.664291507    
C          1.406347800       -0.5448295445         4.602247446    
C          1.607974119        0.4154438031         3.455258747    
C         -1.164937248         1.785729703         5.279906157    
C        -0.9610491501        0.4580504864         5.158651282    
C         0.9026682132         2.174798066         6.549781625    
C          1.288111109        0.7340940509         6.436828893    
C          2.421760638        0.3787300657         5.392451723    
C        -0.2197715720         2.653276901         5.981514456    
C          2.458976406         1.211268607         4.130564639    
    20
Energy=    -1736.27553965400    
H          1.577442164         2.839581582         7.094111287    
H         -1.706873541       -0.1724884114         4.666088648    
H          1.555305664        0.3309686857         7.428879483    
H          3.374383054        0.4834189221E-02     5.796657567    
H          1.581464893        -1.613704510         4.432772335    
H          1.184309215        0.4666203242         2.447498057    
H          2.959113580         2.148518942         3.884144121    
H         -2.068213386         2.231601549         4.864000716    
H        -0.4654338661         3.714290597         6.069385945    
H         0.3874552721E-01    -1.095259127         6.238495556    
C         0.2853705862       -0.1881735181         5.664388692    
C          1.406180649       -0.5445938267         4.601926268    
C          1.607319640        0.4161327988         3.455277023    
C         -1.164561287         1.785390855         5.280002216    
C        -0.9609487736        0.4576800996         5.158897877    
C         0.9031001978         2.174518335         6.550000862    
C          1.288315947        0.7338113665         6.436900459    
C          2.421717050        0.3787254261         5.392154509    
C        -0.2194324252         2.653139880         5.981477063    
C          2.458689358         1.211649312         4.130462646    
    20
Energy=    -1736.27553391200    
H          1.577582292         2.839506340         7.094302895    
H         -1.706949086       -0.1726730336         4.666244615    
H          1.555563903        0.3307004434         7.428945641    
H          3.374332080        0.4832617486E-02     5.796508999    
H          1.581498237        -1.613506147         4.432085751    
H          1.183183705        0.4675593522         2.447694975    
H          2.958694920         2.148933730         3.884165964    
H         -2.067885866         2.231243518         4.864046471    
H        -0.4650113489         3.714116881         6.069491196    
H         0.3901898573E-01    -1.095531131         6.238464632    
C         0.2854026741       -0.1883535613         5.664476129    
C          1.406063590       -0.5444752218         4.601735144    
C          1.606846246        0.4166048576         3.455311050    
C         -1.164265520         1.785182279         5.280090071    
C        -0.9609167478        0.4574766230         5.159021751    
C         0.9033699689         2.174332822         6.550045297    
C          1.288418665        0.7336449144         6.437005910    
C          2.421641384        0.3787693163         5.391989691    
C        -0.2191046243         2.652980459         5.981550232    
C          2.458515678         1.211896900         4.130345068    
    20
Energy=    -1736.27552891700    
H          1.577640870         2.839486363         7.094393639    
H         -1.706943489       -0.1727454028         4.666225090    
H          1.555669890        0.3305811932         7.428972122    
H          3.374328295        0.4879396863E-02     5.796464960    
H          1.581570188        -1.613450153         4.431875700    
H          1.182738546        0.4678653329         2.447717028    
H          2.958444337         2.149132699         3.884147775    
H         -2.067765486         2.231055795         4.864126407    
H        -0.4648426875         3.714019759         6.069576647    
H         0.3909168101E-01    -1.095615449         6.238427360    
C         0.2854086272       -0.1884198734         5.664506232    
C          1.406050057       -0.5444470656         4.601667735    
C          1.606700608        0.4167514139         3.455363112    
C         -1.164151298         1.785082213         5.280137586    
C        -0.9608963889        0.4574224625         5.159022920    
C         0.9035036111         2.174220631         6.550065663    
C          1.288440108        0.7336079360         6.437053108    
C          2.421572365        0.3788320703         5.391922370    
C        -0.2190052946         2.652969130         5.981609756    
C          2.458446439         1.212012958         4.130246943    
    20
Energy=    -1736.27550822300    
H          1.577703089         2.839634602         7.094442420    
H         -1.706937715       -0.1727194562         4.666110828    
H          1.555629849        0.3306094446         7.428992845    
H          3.374364191        0.4935590199E-02     5.796597986    
H          1.581643961        -1.613423667         4.432001302    
H          1.182794691        0.4677594651         2.447552836    
H          2.958440200         2.148967346         3.884107077    
H         -2.067795526         2.230994166         4.864182013    
H        -0.4648270275         3.713951556         6.069572915    
H         0.3900882208E-01    -1.095533026         6.238370085    
C         0.2854230420       -0.1884402195         5.664476789    
C          1.406085059       -0.5444675895         4.601628676    
C          1.606837702        0.4166725964         3.455590756    
C         -1.164246043         1.784922217         5.280091903    
C        -0.9608822163        0.4575492726         5.158979596    
C         0.9033582874         2.174095507         6.550008382    
C          1.288448901        0.7337205869         6.437069405    
C          2.421428205        0.3788553896         5.391896275    
C        -0.2189313727         2.653117317         5.981702931    
C          2.458453862         1.212040285         4.130147560    
    20
Energy=    -1736.27550809900    
H          1.577798299         2.839437744         7.094544747    
H         -1.707732634       -0.1731449939         4.667816585    
H          1.556174048        0.3303112965         7.429208977    
H          3.374317714        0.4082150088E-02     5.796096270    
H          1.580849783        -1.612952163         4.429595740    
H          1.180618806        0.4705411717         2.448233056    
H          2.958662627         2.149125286         3.884790255    
H         -2.066701765         2.230833202         4.863259809    
H        -0.4640093525         3.713490563         6.069025614    
H         0.4038654729E-01    -1.096056761         6.238406267    
C         0.2854679386       -0.1885131498         5.664782508    
C          1.405360939       -0.5440830884         4.601122709    
C          1.605250671        0.4182601880         3.455543603    
C         -1.163604065         1.784857340         5.280111714    
C        -0.9611386986        0.4569222746         5.159830118    
C         0.9041170392         2.173894273         6.550201872    
C          1.288792235        0.7332401523         6.437289382    
C          2.421615430        0.3783351507         5.391734754    
C        -0.2183317953         2.652471695         5.981375393    
C          2.458119360         1.212185131         4.130549143    
    20
Energy=    -1736.27549714300    
H          1.577820092         2.839558251         7.094495507    
H         -1.708132425       -0.1731935648         4.668558010    
H          1.556206542        0.3304019262         7.429308606    
H          3.374326640        0.3651081610E-02     5.796112776    
H          1.580418909        -1.612735337         4.428900944    
H          1.180334934        0.4713137674         2.448365054    
H          2.959229594         2.148626981         3.885094327    
H         -2.066411969         2.230989258         4.862730933    
H        -0.4638412215         3.713359920         6.068594912    
H         0.4082615058E-01    -1.096093766         6.238428308    
C         0.2855170285       -0.1884974511         5.664848191    
C          1.405058351       -0.5439585378         4.600926154    
C          1.604866802        0.4187074437         3.455697089    
C         -1.163581761         1.784806879         5.279992985    
C        -0.9612789349        0.4568108852         5.160201331    
C         0.9041639701         2.173822415         6.550253295    
C          1.288943981        0.7331958070         6.437325106    
C          2.421627132        0.3779907630         5.391716189    
C        -0.2181734554         2.652362837         5.981166172    
C          2.458094411         1.212116701         4.130801236    
    20
Energy=    -1736.27548957300    
H          1.577817006         2.839619933         7.094434244    
H         -1.708376794       -0.1732010697         4.669022322    
H          1.556185313        0.3304922849         7.429356683    
H          3.374311364        0.3366417289E-02     5.796119694    
H          1.580110071        -1.612604065         4.428547763    
H          1.180312950        0.4716918301         2.448484608    
H          2.959687461         2.148275708         3.885281105    
H         -2.066294702         2.231177936         4.862375995    
H        -0.4638038689         3.713356955         6.068303240    
H         0.4105639899E-01    -1.096125145         6.238490077    
C         0.2855498955       -0.1884969093         5.664881104    
C          1.404872021       -0.5438816190         4.600830099    
C          1.604685094        0.4189184852         3.455736371    
C         -1.163604285         1.784801760         5.279895005    
C        -0.9613630798        0.4567515612         5.160443162    
C         0.9041228617         2.173843404         6.550260662    
C          1.289039211        0.7331595362         6.437323216    
C          2.421677468        0.3777465408         5.391719293    
C        -0.2180931633         2.652291600         5.981006644    
C          2.458124263         1.212050864         4.131004257    
    20
Energy=    -1736.27548300300    
H          1.577797294         2.839693740         7.094376104    
H         -1.708516945       -0.1731826173         4.669241409    
H          1.556125836        0.3305850987         7.429391655    
H          3.374278690        0.3222031503E-02     5.796178790    
H          1.579943754        -1.612546988         4.428451611    
H          1.180465740        0.4717815044         2.448532295    
H          2.960057174         2.147978752         3.885359348    
H         -2.066284635         2.231304673         4.862175246    
H        -0.4638247873         3.713407623         6.068118012    
H         0.4112224394E-01    -1.096110192         6.238529729    
C         0.2855493206       -0.1884758605         5.664888443    
C          1.404774435       -0.5438544871         4.600818061    
C          1.604635389        0.4189468339         3.455714353    
C         -1.163652162         1.784818305         5.279826559    
C        -0.9614151187        0.4567506880         5.160547920    
C         0.9040204914         2.173912917         6.550226222    
C          1.289068356        0.7331623428         6.437322091    
C          2.421703838        0.3776088354         5.391757810    
C        -0.2180458140         2.652243070         5.980920548    
C          2.458212275         1.211990369         4.131138166    
    20
Energy=    -1736.27547033600    
H          1.577912890         2.839425395         7.094475592    
H         -1.708620224       -0.1733542240         4.669682255    
H          1.556333310        0.3303853143         7.429321884    
H          3.374387402        0.2940070578E-02     5.795762886    
H          1.579642897        -1.612419600         4.427817911    
H          1.179748208        0.4724959198         2.448846290    
H          2.959768884         2.148425266         3.885609391    
H         -2.066062896         2.231504804         4.861979999    
H        -0.4637407823         3.713393620         6.068107919    
H         0.4153055944E-01    -1.096421944         6.238684350    
C         0.2856467655       -0.1886881853         5.665019704    
C          1.404665835       -0.5437665482         4.600625345    
C          1.604308322        0.4193854069         3.455760512    
C         -1.163449697         1.784575412         5.279785175    
C        -0.9614177344        0.4568137308         5.160908661    
C         0.9040381352         2.173798826         6.550147558    
C          1.289259118        0.7329585234         6.437292485    
C          2.421816993        0.3774810103         5.391576667    
C        -0.2177945177         2.652089641         5.980904775    
C          2.458044969         1.212210961         4.131204759    
    20
Energy=    -1736.27545994800    
H          1.578066791         2.838812692         7.094609378    
H         -1.708758091       -0.1736511886         4.670630374    
H          1.556705140        0.3299995025         7.429202703    
H          3.374628856        0.2249037509E-02     5.794898019    
H          1.578942114        -1.612227718         4.426641490    
H          1.178460782        0.4738115938         2.449389836    
H          2.959386314         2.149275722         3.886135690    
H         -2.065498406         2.231921665         4.861652390    
H        -0.4636581123         3.713355687         6.068068748    
H         0.4226656255E-01    -1.097111076         6.239127511    
C         0.2857229080       -0.1890923678         5.665389626    
C          1.404459060       -0.5436145130         4.600296680    
C          1.603862390        0.4201218579         3.455951922    
C         -1.163272470         1.784718949         5.279629284    
C        -0.9614851255        0.4564098909         5.161507177    
C         0.9043390672         2.173444211         6.549920154    
C          1.289510522        0.7326331526         6.437224473    
C          2.421925405        0.3772630599         5.391264925    
C        -0.2176116779         2.652159572         5.980700327    
C          2.458032105         1.212748386         4.131273261    
    20
Energy=    -1736.27544948200    
H          1.578291664         2.838269589         7.094894606    
H         -1.708592058       -0.1739185197         4.670853961    
H          1.557179765        0.3295004204         7.429033696    
H          3.374858330        0.2155808103E-02     5.794165132    
H          1.578891575        -1.612147147         4.425826790    
H          1.176963860        0.4747791773         2.449778925    
H          2.958057238         2.150550706         3.886352837    
H         -2.065086673         2.231833291         4.861810729    
H        -0.4634289921         3.713145794         6.068459853    
H         0.4277588978E-01    -1.097569391         6.239217570    
C         0.2858699121       -0.1893875681         5.665535422    
C          1.404479357       -0.5435306888         4.600007904    
C          1.603305983        0.4207363295         3.455976772    
C         -1.162907238         1.784539104         5.279756975    
C        -0.9613728351        0.4562248154         5.161787444    
C         0.9046413958         2.173106193         6.549954738    
C          1.289736626        0.7323041075         6.437196520    
C          2.422047867        0.3773570237         5.390916985    
C        -0.2173011657         2.651975884         5.980856227    
C          2.457618621         1.213296612         4.131133675    
    20
Energy=    -1736.27544258800    
H          1.578432246         2.837955989         7.095077205    
H         -1.708466979       -0.1740785503         4.670922250    
H          1.557476885        0.3292026408         7.428935725    
H          3.374999235        0.2139099768E-02     5.793753795    
H          1.578922515        -1.612102606         4.425380249    
H          1.176043514        0.4753249298         2.449973394    
H          2.957176550         2.151335664         3.886456826    
H         -2.064828953         2.231708545         4.861955772    
H        -0.4632748209         3.712984972         6.068740152    
H         0.4305253848E-01    -1.097803622         6.239241642    
C         0.2859508034       -0.1895487279         5.665601124    
C          1.404506594       -0.5434797109         4.599827856    
C          1.603001461        0.4211107913         3.456007225    
C         -1.162684879         1.784432038         5.279870691    
C        -0.9613005375        0.4561003143         5.161909627    
C         0.9048639888         2.172877494         6.550013739    
C          1.289845746        0.7321172688         6.437186062    
C          2.422093637        0.3774402915         5.390707591    
C        -0.2171284088         2.651889094         5.980942662    
C          2.457350626         1.213611426         4.131015478    
    20
Energy=    -1736.27543987000    
H          1.578497915         2.837837096         7.095164212    
H         -1.708394480       -0.1741339308         4.670909116    
H          1.557606479        0.3290752644         7.428892726    
H          3.375057014        0.2173694871E-02     5.793601543    
H          1.578977586        -1.612074244         4.425217506    
H          1.175641663        0.4755360800         2.450042244    
H          2.956744006         2.151676320         3.886480303    
H         -2.064732975         2.231624246         4.862042709    
H        -0.4631943135         3.712896530         6.068878925    
H         0.4315207151E-01    -1.097882725         6.239226023    
C         0.2860041168       -0.1896141719         5.665603476    
C          1.404531634       -0.5434563420         4.599745305    
C          1.602871660        0.4212631561         3.456020623    
C         -1.162591398         1.784374866         5.279939652    
C        -0.9612510654        0.4560349685         5.161936193    
C         0.9049839852         2.172772514         6.550083535    
C          1.289900715        0.7320401369         6.437179076    
C          2.422110056        0.3774851589         5.390611578    
C        -0.2170708706         2.651848772         5.980989970    
C          2.457189121         1.213738117         4.130955311    
    20
Energy=    -1736.27542479500    
H          1.578076755         2.838282433         7.094601697    
H         -1.708985329       -0.1740062950         4.671344513    
H          1.556925258        0.3298023564         7.429159890    
H          3.374729091        0.1516257299E-02     5.794264902    
H          1.578311165        -1.612225351         4.425855520    
H          1.177717625        0.4746639052         2.449647270    
H          2.959540137         2.149931328         3.886533676    
H         -2.065071215         2.232259132         4.861360561    
H        -0.4636923686         3.713430717         6.068054227    
H         0.4273215422E-01    -1.097605349         6.239597718    
C         0.2855276343       -0.1893407095         5.665811917    
C          1.404277975       -0.5434835771         4.600146436    
C          1.603991670        0.4207879746         3.456280788    
C         -1.163012663         1.784684185         5.279475493    
C        -0.9617180370        0.4565037213         5.161947384    
C         0.9046144699         2.173255579         6.549502047    
C          1.289438502        0.7324491075         6.437227962    
C          2.421959491        0.3771723182         5.391146566    
C        -0.2175474160         2.652404861         5.980355538    
C          2.458213975         1.212743066         4.131199914    
    20
Energy=    -1736.27541501100    
H          1.578480255         2.837908224         7.095000209    
H         -1.708776995       -0.1742739246         4.671180646    
H          1.557512617        0.3295191702         7.429062087    
H          3.374757391        0.1572800121E-02     5.793869176    
H          1.578648507        -1.611793174         4.425364228    
H          1.176149821        0.4755231108         2.450031313    
H          2.957608245         2.151072942         3.886618376    
H         -2.064508808         2.231522135         4.861733933    
H        -0.4633435471         3.713094654         6.068789768    
H         0.4294548007E-01    -1.097557825         6.239554626    
C         0.2856830708       -0.1895122512         5.665501056    
C          1.404180208       -0.5432578036         4.599658181    
C          1.603258025        0.4211962406         3.455789475    
C         -1.162696070         1.784526355         5.279981918    
C        -0.9615724977        0.4558580971         5.161953882    
C         0.9048856323         2.172925919         6.549831810    
C          1.289532368        0.7321049152         6.437233012    
C          2.421911402        0.3771443006         5.390871380    
C        -0.2167549154         2.652135806         5.980254948    
C          2.458135195         1.213509129         4.131237708    
    20
Energy=    -1736.27539036100    
H          1.579380081         2.836993980         7.096128096    
H         -1.707818568       -0.1746937836         4.670394352    
H          1.558896800        0.3282120116         7.428579916    
H          3.375252589        0.2582358962E-02     5.792639189    
H          1.579839696        -1.611275604         4.424080245    
H          1.171915259        0.4774193268         2.450715451    
H          2.952249519         2.154613193         3.886559424    
H         -2.063811117         2.230223065         4.862940233    
H        -0.4623395246         3.712087366         6.070488010    
H         0.4370846585E-01    -1.098042667         6.239004783    
C         0.2865557833       -0.1901579769         5.665042157    
C          1.404583671       -0.5429989653         4.598716462    
C          1.601574942        0.4224739900         3.455552033    
C         -1.161715565         1.783436259         5.280971950    
C        -0.9607301783        0.4552771875         5.161973282    
C         0.9057202896         2.171987233         6.550896836    
C          1.290347886        0.7312739340         6.437151763    
C          2.422135790        0.3776534737         5.389809087    
C        -0.2156514752         2.651175869         5.981198761    
C          2.455951935         1.214958976         4.130687088    
    20
Energy=    -1736.27533937500    
H          1.580439430         2.835730625         7.097673218    
H         -1.706027196       -0.1749577301         4.669153716    
H          1.560730767        0.3259665002         7.427759904    
H          3.376379534        0.4648632208E-02     5.790657054    
H          1.581725246        -1.611174889         4.422244062    
H          1.166124926        0.4797361983         2.451688062    
H          2.944515789         2.159665035         3.886350180    
H         -2.063080816         2.228751148         4.864898951    
H        -0.4609595778         3.710545985         6.072611707    
H         0.4501296313E-01    -1.099083091         6.237844584    
C         0.2879818062       -0.1909693444         5.664689232    
C          1.405507308       -0.5430864759         4.597753312    
C          1.598559260        0.4239094084         3.455301636    
C         -1.160510766         1.782482013         5.282090672    
C        -0.9593284670        0.4543342015         5.161987564    
C         0.9068544767         2.170554805         6.552553425    
C          1.291778859        0.7301812687         6.436992219    
C          2.422656713        0.3787446987         5.388211644    
C        -0.2148047965         2.649654017         5.983343703    
C          2.452498610         1.217537881         4.129741069    
    20
Energy=    -1736.27532738800    
H          1.580574139         2.835572486         7.097859795    
H         -1.705810023       -0.1749760916         4.669003367    
H          1.560948002        0.3257108424         7.427662715    
H          3.376484607        0.4870658940E-02     5.790456171    
H          1.581971888        -1.611162987         4.422017863    
H          1.165412112        0.4800533377         2.451793377    
H          2.943573902         2.160288517         3.886327173    
H         -2.062993422         2.228539852         4.865145764    
H        -0.4607633625         3.710329079         6.072867024    
H         0.4514904958E-01    -1.099194972         6.237692364    
C         0.2881617365       -0.1910558841         5.664647838    
C          1.405623452       -0.5430972875         4.597638839    
C          1.598195808        0.4241028111         3.455298538    
C         -1.160360795         1.782410331         5.282211344    
C        -0.9591554880        0.4541564623         5.161974220    
C         0.9070731020         2.170367515         6.552782961    
C          1.291963880        0.7300601665         6.436959175    
C          2.422714696        0.3788814312         5.388006784    
C        -0.2147527670         2.649482551         5.983592377    
C          2.452044809         1.217828468         4.129610088    
    20
Energy=    -1736.27528458100    
H          1.581202977         2.834859201         7.098831077    
H         -1.704701768       -0.1750539690         4.668301033    
H          1.561969643        0.3242586862         7.427121902    
H          3.377178339        0.6156049234E-02     5.789286783    
H          1.583029331        -1.611148496         4.420915746    
H          1.162028276        0.4814234449         2.452360321    
H          2.939031298         2.163220560         3.886178550    
H         -2.062801911         2.227921694         4.866272048    
H        -0.4599441007         3.709487174         6.074032408    
H         0.4591783560E-01    -1.100116771         6.237063374    
C         0.2891170046       -0.1916834156         5.664572193    
C          1.406351111       -0.5432004761         4.597184072    
C          1.596409853        0.4248139071         3.455126654    
C         -1.159742609         1.781809895         5.282736529    
C        -0.9581487190        0.4537689583         5.161879996    
C         0.9077264585         2.169601601         6.553587115    
C          1.292992579        0.7294175441         6.436830606    
C          2.423125184        0.3796267451         5.387045791    
C        -0.2144323056         2.648490693         5.985178329    
C          2.449752485         1.219496745         4.129053503    
    20
Energy=    -1736.27526320200    
H          1.581423650         2.834661930         7.099156250    
H         -1.704377717       -0.1750298294         4.668107170    
H          1.562232515        0.3238191400         7.426945651    
H          3.377306490        0.6475704760E-02     5.789044155    
H          1.583343663        -1.611133021         4.420576018    
H          1.161015273        0.4819277211         2.452505397    
H          2.937689726         2.164067525         3.886134986    
H         -2.062874697         2.227785648         4.866595068    
H        -0.4596325317         3.709218972         6.074334783    
H         0.4608233722E-01    -1.100499872         6.236898151    
C         0.2894665227       -0.1919340035         5.664606662    
C          1.406655910       -0.5432407308         4.597096533    
C          1.595895290        0.4249979361         3.455097187    
C         -1.159579141         1.781618133         5.282797467    
C        -0.9577564547        0.4536731934         5.161774361    
C         0.9080568539         2.169393931         6.553769466    
C          1.293410196        0.7292542577         6.436744601    
C          2.423276041        0.3798912743         5.386733173    
C        -0.2144752972         2.648176778         5.985768374    
C          2.448904602         1.220020140         4.128874904    
    20
Energy=    -1736.27523583900    
H          1.581611839         2.834276823         7.099605527    
H         -1.703764122       -0.1751071450         4.667792452    
H          1.562774817        0.3229294583         7.426669227    
H          3.377914764        0.7319647886E-02     5.788189121    
H          1.583714305        -1.611095875         4.420042603    
H          1.159314466        0.4823740629         2.452782837    
H          2.935459401         2.165545411         3.886022541    
H         -2.062805006         2.227778004         4.867099421    
H        -0.4593793114         3.708899659         6.074917248    
H         0.4661323211E-01    -1.101167850         6.236700308    
C         0.2899510270       -0.1923951188         5.664608216    
C          1.407072016       -0.5432530997         4.596842455    
C          1.595269207        0.4253596719         3.455089051    
C         -1.159341154         1.781186124         5.283181579    
C        -0.9572221778        0.4537090919         5.161734803    
C         0.9084065999         2.168952648         6.554228556    
C          1.293851603        0.7288791152         6.436710740    
C          2.423491905        0.3802865128         5.386267727    
C        -0.2145320656         2.647901403         5.986475913    
C          2.447663673         1.220758241         4.128605137    
    20
Energy=    -1736.27521031900    
H          1.581869903         2.833327713         7.100615274    
H         -1.702159122       -0.1753355106         4.667170511    
H          1.564184671        0.3206544914         7.426042923    
H          3.379848058        0.9765547280E-02     5.785502369    
H          1.584362687        -1.610947763         4.418849030    
H          1.155396554        0.4828208119         2.453588913    
H          2.930159944         2.168952022         3.885737400    
H         -2.062172310         2.227898343         4.868277989    
H        -0.4592091491         3.708376069         6.076407655    
H         0.4822362226E-01    -1.102733451         6.236353796    
C         0.2909364058       -0.1933867998         5.664498601    
C          1.407869012       -0.5432139080         4.596122799    
C          1.593768361        0.4260387183         3.454730861    
C         -1.159119149         1.780935904         5.284457880    
C        -0.9561245732        0.4530650858         5.161751034    
C         0.9086163478         2.167950084         6.555379664    
C          1.294608354        0.7278308939         6.436794953    
C          2.423968434        0.3811486824         5.385263042    
C        -0.2142813481         2.647245082         5.987894404    
C          2.445320182         1.222725707         4.128141093    
    20
Energy=    -1736.27518893800    
H          1.581960552         2.832925743         7.101018613    
H         -1.701483942       -0.1754803458         4.666877470    
H          1.564802222        0.3196619184         7.425781699    
H          3.380731698        0.1083874103E-01     5.784312987    
H          1.584616255        -1.610885075         4.418347898    
H          1.153725944        0.4829636958         2.453947939    
H          2.927914476         2.170405595         3.885611001    
H         -2.061909475         2.228010284         4.868766025    
H        -0.4591754659         3.708192313         6.077050005    
H         0.4893813356E-01    -1.103401970         6.236217955    
C         0.2913337583       -0.1938448088         5.664435656    
C          1.408191099       -0.5431917110         4.595786654    
C          1.593192944        0.4263526644         3.454602661    
C         -1.158985274         1.780615386         5.285047602    
C        -0.9556792600        0.4530443983         5.161799832    
C         0.9086127341         2.167505031         6.555859035    
C          1.294876047        0.7273687700         6.436855177    
C          2.424168122        0.3814915422         5.384858414    
C        -0.2141258766         2.647022347         5.988454017    
C          2.444362423         1.223515233         4.127956239    
    20
Energy=    -1736.27517927700    
H          1.581958771         2.832713493         7.101182215    
H         -1.701154840       -0.1755833365         4.666730381    
H          1.565126506        0.3191809994         7.425668124    
H          3.381236430        0.1142574042E-01     5.783631413    
H          1.584731092        -1.610877110         4.418112260    
H          1.152943982        0.4829259350         2.454119819    
H          2.926847534         2.171140199         3.885549643    
H         -2.061669525         2.228034671         4.869008076    
H        -0.4592271856         3.708111120         6.077390615    
H         0.4935480233E-01    -1.103626986         6.236119130    
C         0.2914729934       -0.1939925307         5.664378757    
C          1.408280092       -0.5431829863         4.595616350    
C          1.592895074        0.4265076186         3.454538859    
C         -1.158902290         1.780509219         5.285388127    
C        -0.9555566243        0.4529743494         5.161911312    
C         0.9085309580         2.167263290         6.556152299    
C          1.294920123        0.7271333282         6.436920155    
C          2.424240666        0.3816385322         5.384678186    
C        -0.2139834341         2.646939766         5.988642175    
C          2.444021165         1.223870987         4.127852770    
    20
Energy=    -1736.27516926100    
H          1.581952195         2.832569316         7.101296670    
H         -1.700944251       -0.1756761701         4.666621965    
H          1.565355313        0.3188551638         7.425593666    
H          3.381601222        0.1185306904E-01     5.783123798    
H          1.584809585        -1.610879502         4.417951904    
H          1.152426865        0.4828612445         2.454239572    
H          2.926120887         2.171649613         3.885510261    
H         -2.061471302         2.228036540         4.869171365    
H        -0.4592896602         3.708065271         6.077635866    
H         0.4966936739E-01    -1.103733750         6.236031774    
C         0.2915519680       -0.1940631813         5.664333939    
C          1.408316208       -0.5431828679         4.595506731    
C          1.592653213        0.4265953868         3.454472884    
C         -1.158820328         1.780397784         5.285623987    
C        -0.9555125229        0.4529558212         5.162044106    
C         0.9083917480         2.167099286         6.556344290    
C          1.294933569        0.7269718487         6.436979097    
C          2.424282941        0.3817362689         5.384557385    
C        -0.2138088305         2.646860352         5.988776809    
C          2.443847858         1.224132008         4.127776794    
    20
Energy=    -1736.27515166600    
H          1.581998467         2.832438551         7.101620113    
H         -1.700845846       -0.1757967087         4.666606095    
H          1.565566122        0.3185336036         7.425504393    
H          3.381939173        0.1241231189E-01     5.782424687    
H          1.584853070        -1.610803633         4.417803003    
H          1.151927653        0.4826432796         2.454273370    
H          2.925308213         2.172177024         3.885476662    
H         -2.061221529         2.227964094         4.869259998    
H        -0.4593768457         3.707900262         6.077945675    
H         0.5010815359E-01    -1.103812821         6.235953116    
C         0.2917123258       -0.1940727857         5.664358706    
C          1.408367759       -0.5431266857         4.595423090    
C          1.592262142        0.4265949181         3.454285355    
C         -1.158684885         1.780242855         5.285773255    
C        -0.9555039468        0.4527945762         5.162307241    
C         0.9082839215         2.166987793         6.556560903    
C          1.295135052        0.7268903152         6.437009276    
C          2.424328136        0.3819810328         5.384304646    
C        -0.2136011596         2.646602116         5.989113156    
C          2.443510179         1.224550589         4.127593030    
    20
Energy=    -1736.27514264800    
H          1.581995271         2.832050996         7.102253020    
H         -1.700590890       -0.1760757839         4.666547783    
H          1.566056964        0.3177810202         7.425313653    
H          3.382769591        0.1372442508E-01     5.780782419    
H          1.584958896        -1.610663957         4.417453956    
H          1.150697165        0.4821115647         2.454245716    
H          2.923496548         2.173549724         3.885391510    
H         -2.060599105         2.227800636         4.869485161    
H        -0.4595470527         3.707379074         6.078667602    
H         0.5114202100E-01    -1.103945730         6.235730301    
C         0.2920650579       -0.1940773677         5.664421372    
C          1.408476517       -0.5429617481         4.595198387    
C          1.591659693        0.4268327315         3.454214334    
C         -1.158301813         1.779875425         5.286181168    
C        -0.9555541646        0.4524095400         5.162922535    
C         0.9086032409         2.166540345         6.557409379    
C          1.295491843        0.7267252526         6.437064500    
C          2.424413409        0.3825467829         5.383707145    
C        -0.2136404623         2.646366170         5.989602592    
C          2.442472832         1.225124901         4.127010321    
    20
Energy=    -1736.27513352400    
H          1.582061825         2.831924262         7.102703881    
H         -1.700598133       -0.1761987638         4.666615396    
H          1.566220237        0.3174928749         7.425222659    
H          3.383047028        0.1433317052E-01     5.780001726    
H          1.584963149        -1.610525845         4.417331085    
H          1.150235146        0.4817895191         2.454160607    
H          2.922715788         2.174077474         3.885364763    
H         -2.060345818         2.227683526         4.869496999    
H        -0.4596210855         3.707076942         6.078996165    
H         0.5163432385E-01    -1.104008114         6.235669983    
C         0.2922920154       -0.1940464535         5.664515228    
C          1.408552715       -0.5428409934         4.595132786    
C          1.591300038        0.4268379375         3.454067140    
C         -1.158118827         1.779688254         5.286246011    
C        -0.9555752172        0.4521418485         5.163249560    
C         0.9087447908         2.166439695         6.557723121    
C          1.295832408        0.7267351822         6.437051095    
C          2.424455432        0.3829080193         5.383348178    
C        -0.2136176304         2.646081229         5.990010821    
C          2.441887909         1.225501731         4.126698706    
    20
Energy=    -1736.27511806300    
H          1.582149822         2.831809286         7.103229178    
H         -1.700634597       -0.1762981652         4.666753320    
H          1.566368390        0.3172242042         7.425126216    
H          3.383287868        0.1495215129E-01     5.779203695    
H          1.584950671        -1.610352666         4.417226964    
H          1.149789399        0.4814314919         2.454013555    
H          2.921943315         2.174587803         3.885326964    
H         -2.060090994         2.227539390         4.869471034    
H        -0.4596854745         3.706719329         6.079333980    
H         0.5213974120E-01    -1.104101636         6.235650878    
C         0.2925487802       -0.1940113424         5.664638858    
C          1.408645136       -0.5426853192         4.595063453    
C          1.590953183        0.4268471655         3.453912376    
C         -1.157966792         1.779601500         5.286284969    
C        -0.9555704933        0.4517185026         5.163546284    
C         0.9089798220         2.166374561         6.558054679    
C          1.296242007        0.7267814054         6.437016397    
C          2.424493502        0.3833225852         5.382942868    
C        -0.2136553669         2.645745754         5.990466325    
C          2.441178443         1.225882770         4.126346678    
    20
Energy=    -1736.27509913200    
H          1.582168791         2.831754155         7.103618989    
H         -1.700626837       -0.1763606882         4.666947210    
H          1.566536697        0.3171140972         7.425055179    
H          3.383425564        0.1532287244E-01     5.778706723    
H          1.584974458        -1.610259944         4.417190547    
H          1.149534086        0.4812026910         2.453829930    
H          2.921440660         2.174918370         3.885208853    
H         -2.059903757         2.227404266         4.869435276    
H        -0.4597513172         3.706510713         6.079578337    
H         0.5248262993E-01    -1.104199468         6.235730243    
C         0.2926906328       -0.1940254891         5.664718688    
C          1.408678767       -0.5425929981         4.594989776    
C          1.590732940        0.4268900460         3.453782498    
C         -1.157921568         1.779661283         5.286360434    
C        -0.9555026758        0.4513596592         5.163662299    
C         0.9090897680         2.166362705         6.558256137    
C          1.296448058        0.7267983023         6.437002880    
C          2.424482186        0.3835674532         5.382694908    
C        -0.2136337580         2.645536561         5.990721694    
C          2.440721447         1.226122235         4.126120165    
    20
Energy=    -1736.27508912200    
H          1.582095463         2.831646171         7.105128338    
H         -1.700681936       -0.1767779760         4.667777384    
H          1.567305494        0.3169307478         7.424799604    
H          3.383868185        0.1648823316E-01     5.777044926    
H          1.585112712        -1.609999907         4.417159612    
H          1.148773914        0.4804189906         2.453023862    
H          2.919673508         2.176002203         3.884578918    
H         -2.059444137         2.226975940         4.869173351    
H        -0.4600214630         3.705814279         6.080452625    
H         0.5373822858E-01    -1.104599277         6.236230709    
C         0.2931427707       -0.1943094147         5.665005036    
C          1.408739629       -0.5423417659         4.594655108    
C          1.589885728        0.4270357952         3.453124904    
C         -1.157552470         1.778874282         5.286721451    
C        -0.9551413315        0.4512503203         5.164051636    
C         0.9094294576         2.166305239         6.558927839    
C          1.296990017        0.7269024012         6.436965959    
C          2.424371763        0.3843105797         5.381927701    
C        -0.2135392053         2.645093941         5.991458401    
C          2.439322470         1.227059644         4.125410250    
    20
Energy=    -1736.27507704000    
H          1.581985410         2.831614405         7.105964860    
H         -1.700637702       -0.1769886439         4.668351465    
H          1.567818691        0.3169287056         7.424654099    
H          3.384099697        0.1704326093E-01     5.776212008    
H          1.585232954        -1.609911335         4.417184515    
H          1.148416633        0.4800220961         2.452495531    
H          2.918744263         2.176578034         3.884118933    
H         -2.059162907         2.226691264         4.869025961    
H        -0.4602033147         3.705498444         6.080935290    
H         0.5441423515E-01    -1.104850292         6.236613209    
C         0.2933288038       -0.1944983403         5.665137321    
C          1.408723333       -0.5422365947         4.594441699    
C          1.589442729        0.4271623885         3.452731225    
C         -1.157451991         1.778691997         5.287011069    
C        -0.9548633759        0.4510329579         5.164124539    
C         0.9095394620         2.166312510         6.559269171    
C          1.297149018        0.7269215063         6.436966815    
C          2.424260548        0.3846378429         5.381571440    
C        -0.2134226972         2.644887259         5.991744165    
C          2.438657248         1.227539256         4.125067502    
    20
Energy=    -1736.27506429800    
H          1.581863114         2.831572397         7.106551779    
H         -1.700587433       -0.1771699807         4.668808061    
H          1.568279416        0.3169529776         7.424549421    
H          3.384216429        0.1744653136E-01     5.775624966    
H          1.585390458        -1.609862391         4.417205485    
H          1.148207140        0.4797746250         2.452072609    
H          2.918043694         2.176989033         3.883682741    
H         -2.058927323         2.226464619         4.868921781    
H        -0.4603600558         3.705335316         6.081348113    
H         0.5490777600E-01    -1.105049149         6.236946665    
C         0.2934446233       -0.1946915167         5.665245285    
C          1.408684315       -0.5421879059         4.594270834    
C          1.589061568        0.4272550431         3.452398628    
C         -1.157337917         1.778494455         5.287233047    
C        -0.9546442896        0.4509676661         5.164220047    
C         0.9095237151         2.166291375         6.559505235    
C          1.297209932        0.7269024153         6.436982070    
C          2.424142886        0.3848605601         5.381317725    
C        -0.2132751393         2.644800257         5.991925705    
C          2.438229286         1.227927728         4.124813262    
    20
Energy=    -1736.27504600800    
H          1.581768812         2.831426286         7.106844081    
H         -1.700527469       -0.1773034767         4.669164931    
H          1.568759551        0.3169039349         7.424484311    
H          3.384121831        0.1784884622E-01     5.775204239    
H          1.585689305        -1.609791499         4.417175119    
H          1.148147519        0.4796984362         2.451732188    
H          2.917460426         2.177272140         3.883173494    
H         -2.058611318         2.226255792         4.868877070    
H        -0.4604953808         3.705354162         6.081869312    
H         0.5524205004E-01    -1.105254571         6.237254166    
C         0.2935293788       -0.1949194168         5.665389668    
C          1.408629101       -0.5421621108         4.594135453    
C          1.588594999        0.4273030109         3.452075107    
C         -1.157109847         1.778395682         5.287344944    
C        -0.9545070390        0.4508283123         5.164488778    
C         0.9093601130         2.166177293         6.559692512    
C          1.297258027        0.7268031459         6.437011499    
C          2.423967369        0.3851101348         5.381042031    
C        -0.2130946793         2.644781735         5.992108840    
C          2.437890531         1.228343572         4.124558342    
    20
Energy=    -1736.27503281700    
H          1.581582995         2.831101993         7.107108182    
H         -1.700417297       -0.1774807115         4.669689878    
H          1.569523395        0.3167945800         7.424400873    
H          3.383884913        0.1847463720E-01     5.774637036    
H          1.586232367        -1.609684303         4.417107432    
H          1.148062920        0.4796565543         2.451112740    
H          2.916668501         2.177770181         3.882311280    
H         -2.058084934         2.225950877         4.868824702    
H        -0.4606616947         3.705378923         6.082746691    
H         0.5568764830E-01    -1.105592659         6.237732626    
C         0.2936537663       -0.1953111105         5.665655243    
C          1.408541068       -0.5420857501         4.593904615    
C          1.588112245        0.4275781858         3.451887625    
C         -1.156644383         1.778254791         5.287514326    
C        -0.9543494103        0.4506005011         5.164956596    
C         0.9094109155         2.165865871         6.560165816    
C          1.297269193        0.7266170072         6.437050612    
C          2.423643319        0.3855357677         5.380570260    
C        -0.2131424118         2.644984872         5.992230637    
C          2.437102723         1.228656189         4.124023230    
    20
Energy=    -1736.27502113000    
H          1.581567553         2.830907917         7.106990465    
H         -1.700383516       -0.1775069389         4.669792363    
H          1.569803553        0.3166775925         7.424398521    
H          3.383635196        0.1872312232E-01     5.774541615    
H          1.586533602        -1.609613830         4.417036640    
H          1.148133420        0.4797642826         2.450954168    
H          2.916461895         2.177861558         3.881953714    
H         -2.057827234         2.225855674         4.868849177    
H        -0.4607039577         3.705525731         6.083157248    
H         0.5573220365E-01    -1.105724415         6.237875975    
C         0.2936815610       -0.1954770950         5.665783514    
C          1.408505253       -0.5420647959         4.593850235    
C          1.587869705        0.4276453782         3.451835368    
C         -1.156387871         1.778264984         5.287473050    
C        -0.9543560096        0.4504560838         5.165280237    
C         0.9092664225         2.165692300         6.560271416    
C          1.297297538        0.7264920172         6.437077164    
C          2.423485526        0.3857321107         5.380363177    
C        -0.2130819075         2.645059274         5.992333434    
C          2.436843781         1.228793911         4.123813828    
    20
Energy=    -1736.27501427600    
H          1.581623811         2.830813778         7.106790922    
H         -1.700384892       -0.1774697914         4.669758128    
H          1.569858432        0.3165793139         7.424415732    
H          3.383474205        0.1880841634E-01     5.774604985    
H          1.586671010        -1.609573139         4.416996461    
H          1.148187992        0.4798573127         2.450929451    
H          2.916503165         2.177847308         3.881840226    
H         -2.057711610         2.225845772         4.868877235    
H        -0.4606872544         3.705618763         6.083331339    
H         0.5566187791E-01    -1.105777659         6.237898081    
C         0.2936670732       -0.1955427331         5.665827943    
C          1.408488619       -0.5420454172         4.593843427    
C          1.587812259        0.4277050021         3.451888086    
C         -1.156269648         1.778326584         5.287423316    
C        -0.9543884075        0.4503638998         5.165407118    
C         0.9091953807         2.165599272         6.560286546    
C          1.297292882        0.7264129767         6.437096123    
C          2.423407154        0.3858128095         5.380295269    
C        -0.2130588350         2.645087202         5.992375448    
C          2.436733529         1.228794946         4.123745852    
    20
Energy=    -1736.27499528000    
H          1.581926652         2.830779566         7.106122590    
H         -1.700475374       -0.1772822006         4.669468260    
H          1.569661979        0.3163280205         7.424509168    
H          3.383197994        0.1882913969E-01     5.775012883    
H          1.586761272        -1.609516933         4.416987751    
H          1.148266666        0.4800117949         2.451045456    
H          2.917021874         2.177673003         3.881908057    
H         -2.057582963         2.225922881         4.868952631    
H        -0.4605776576         3.705778462         6.083472790    
H         0.5534499518E-01    -1.105794938         6.237814180    
C         0.2935399214       -0.1956155200         5.665741665    
C          1.408450573       -0.5420011991         4.593864572    
C          1.587843524        0.4279100259         3.452130919    
C         -1.156183889         1.778522811         5.287340428    
C        -0.9544571911        0.4502621501         5.165313025    
C         0.9090298829         2.165475256         6.560161609    
C          1.297173199        0.7262104244         6.437161926    
C          2.423296474        0.3858075329         5.380363576    
C        -0.2128794861         2.645051550         5.992425268    
C          2.436718033         1.228712972         4.123834966    
    20
Energy=    -1736.27497666600    
H          1.581016061         2.830381493         7.107991657    
H         -1.700037697       -0.1778297887         4.670450992    
H          1.570699664        0.3169100084         7.424122063    
H          3.383521486        0.1904037210E-01     5.773684447    
H          1.587115543        -1.609500478         4.416679954    
H          1.148322252        0.4800282171         2.450547188    
H          2.915012372         2.178150566         3.881122396    
H         -2.057670322         2.225655076         4.868746262    
H        -0.4608655498         3.705612119         6.083608817    
H         0.5615031789E-01    -1.106045174         6.238151824    
C         0.2940103770       -0.1955133047         5.666509856    
C          1.408554303       -0.5420860642         4.593835001    
C          1.587594720        0.4271186052         3.451386186    
C         -1.156053158         1.778070958         5.287275910    
C        -0.9544428284        0.4501877223         5.166617432    
C         0.9091415034         2.165685983         6.560537493    
C          1.297793486        0.7268110133         6.436949807    
C          2.423466470        0.3863127403         5.379737314    
C        -0.2135112721         2.645156847         5.992584935    
C          2.436262124         1.228913236         4.123095383    
    20
Energy=    -1736.27494225900    
H          1.580232461         2.830264957         7.109887077    
H         -1.699667702       -0.1783352479         4.671366981    
H          1.571531803        0.3175306397         7.423793743    
H          3.384015445        0.1915042996E-01     5.772459427    
H          1.587210870        -1.609563711         4.416530533    
H          1.148220431        0.4798448386         2.450041152    
H          2.913309303         2.178715245         3.880572830    
H         -2.057783218         2.225351480         4.868565168    
H        -0.4612076777         3.705442921         6.083529265    
H         0.5698104386E-01    -1.106160919         6.238458073    
C         0.2943951942       -0.1953548449         5.667009075    
C          1.408654405       -0.5421642350         4.593756476    
C          1.587613415        0.4266125738         3.450923463    
C         -1.156254303         1.777885537         5.287315899    
C        -0.9543016463        0.4499767970         5.167425742    
C         0.9088956703         2.166067651         6.560642152    
C          1.298320443        0.7273255839         6.436803975    
C          2.423699747        0.3866051662         5.379257891    
C        -0.2135798153         2.644984863         5.992841998    
C          2.435796194         1.228877107         4.122455723    
    20
Energy=    -1736.27489094500    
H          1.579052286         2.830444842         7.112441436    
H         -1.699323139       -0.1790608804         4.672559239    
H          1.572393498        0.3184582275         7.423518489    
H          3.385034174        0.1919933822E-01     5.770838302    
H          1.586885709        -1.609844157         4.416655251    
H          1.147821863        0.4791314825         2.449398674    
H          2.911367006         2.179685248         3.880173425    
H         -2.058063692         2.224888625         4.868353330    
H        -0.4617769586         3.705051593         6.083165134    
H         0.5832195051E-01    -1.106042588         6.238891091    
C         0.2948917314       -0.1951008148         5.667208172    
C          1.408805341       -0.5422699315         4.593572955    
C          1.587651752        0.4262293864         3.450369853    
C         -1.156540875         1.777587687         5.287704150    
C        -0.9539600758        0.4498431916         5.167666487    
C         0.9090889564         2.166550301         6.561014747    
C          1.298801801        0.7279138240         6.436622057    
C          2.424012071        0.3866551791         5.378808476    
C        -0.2137804454         2.644866931         5.992777679    
C          2.435400024         1.228868803         4.121897701    
    20
Energy=    -1736.27488107900    
H          1.578939630         2.830457874         7.112704989    
H         -1.699276323       -0.1791336760         4.672689805    
H          1.572494217        0.3185636534         7.423488406    
H          3.385141535        0.1919739417E-01     5.770682763    
H          1.586857132        -1.609871521         4.416659253    
H          1.147784009        0.4790751764         2.449314490    
H          2.911170229         2.179791770         3.880117656    
H         -2.058094805         2.224847857         4.868310408    
H        -0.4618237962         3.705010413         6.083118098    
H         0.5844570591E-01    -1.106040590         6.238937223    
C         0.2949340129       -0.1950775632         5.667229238    
C          1.408815960       -0.5422753693         4.593547363    
C          1.587687318        0.4262161753         3.450341680    
C         -1.156593395         1.777590797         5.287777527    
C        -0.9539304464        0.4498083124         5.167685964    
C         0.9091409635         2.166594114         6.561074318    
C          1.298840802        0.7279669957         6.436601893    
C          2.424038442        0.3866534431         5.378759679    
C        -0.2138277065         2.644861749         5.992766566    
C          2.435339586         1.228819039         4.121829522    
    20
Energy=    -1736.27482177400    
H          1.578074012         2.830826463         7.114535698    
H         -1.699143438       -0.1798057975         4.673481870    
H          1.573085208        0.3193394886         7.423527781    
H          3.385882349        0.1928321115E-01     5.769562340    
H          1.586391551        -1.610098578         4.416966612    
H          1.147507452        0.4783630152         2.449009282    
H          2.909846081         2.180504154         3.879945445    
H         -2.058322648         2.224457899         4.868063869    
H        -0.4623773290         3.704910515         6.082711880    
H         0.5948244237E-01    -1.105758575         6.239316631    
C         0.2953269659       -0.1950341229         5.666915824    
C          1.408968466       -0.5423595888         4.593247373    
C          1.587523728        0.4261466291         3.449986819    
C         -1.156939203         1.777415716         5.288323075    
C        -0.9536748601        0.4497567017         5.167509719    
C         0.9092518359         2.166816024         6.561442555    
C          1.299221294        0.7280857232         6.436453078    
C          2.424308261        0.3864645627         5.378358637    
C        -0.2135875223         2.644823931         5.992772653    
C          2.435258964         1.228919086         4.121505925    
    20
Energy=    -1736.27479197900    
H          1.578044529         2.830923490         7.114840092    
H         -1.699083905       -0.1799749137         4.673625479    
H          1.573287080        0.3195678687         7.423593990    
H          3.385978973        0.1928351105E-01     5.769489329    
H          1.586317403        -1.610100384         4.416997961    
H          1.147555004        0.4783580768         2.448955323    
H          2.909610956         2.180568177         3.879828262    
H         -2.058392785         2.224445814         4.867807686    
H        -0.4624249401         3.704998410         6.082541390    
H         0.5953784125E-01    -1.105747979         6.239412242    
C         0.2953312534       -0.1951249956         5.666734343    
C          1.408961713       -0.5423635429         4.593106375    
C          1.587475757        0.4262489567         3.449954552    
C         -1.157220224         1.777531912         5.288722058    
C        -0.9536823035        0.4497378656         5.167418213    
C         0.9093075014         2.166786755         6.561598685    
C          1.299248426        0.7279405209         6.436413971    
C          2.424336980        0.3863141105         5.378260597    
C        -0.2134570313         2.644825971         5.992871746    
C          2.435351510         1.228836195         4.121464908    
    20
Energy=    -1736.27468137500    
H          1.577824278         2.831127327         7.115261786    
H         -1.698928066       -0.1801980741         4.673760567    
H          1.573460292        0.3197679031         7.423710101    
H          3.386185270        0.1964881615E-01     5.769185174    
H          1.586358824        -1.610138441         4.417284882    
H          1.147401103        0.4779949862         2.449113872    
H          2.909007076         2.180792964         3.879759430    
H         -2.058366306         2.224167177         4.867724721    
H        -0.4627686544         3.705106890         6.082458131    
H         0.5986366567E-01    -1.105680827         6.239632583    
C         0.2955136806       -0.1951721180         5.666495874    
C          1.409131519       -0.5423574122         4.592954242    
C          1.587321177        0.4262825577         3.449959660    
C         -1.157467842         1.778063366         5.288881487    
C        -0.9535734839        0.4490612786         5.167228261    
C         0.9090352029         2.166878110         6.561614019    
C          1.299486479        0.7278034514         6.436362028    
C          2.424471756        0.3864262663         5.377962579    
C        -0.2130395509         2.644573452         5.992994374    
C          2.435167543         1.228908283         4.121293525    
    20
Energy=    -1736.27463984900    
H          1.575218281         2.831766399         7.117889385    
H         -1.699355708       -0.1811603354         4.674599904    
H          1.573388495        0.3202685787         7.423974730    
H          3.387367570        0.2019525600E-01     5.766526897    
H          1.585170220        -1.610832900         4.418494916    
H          1.146211112        0.4754130872         2.449155528    
H          2.907170750         2.182524890         3.880515778    
H         -2.058475369         2.222917902         4.869113501    
H        -0.4644383019         3.704584355         6.082528817    
H         0.6265872625E-01    -1.104388662         6.240092792    
C         0.2969948527       -0.1945916238         5.666113138    
C          1.409933417       -0.5424624727         4.592808965    
C          1.587138392        0.4258804223         3.449872238    
C         -1.155895213         1.776730294         5.287417577    
C        -0.9528874927        0.4488252139         5.167032815    
C         0.9093788364         2.167181272         6.561960802    
C          1.300785253        0.7286816454         6.436101322    
C          2.425165045        0.3870249691         5.376952984    
C        -0.2132843972         2.644879064         5.992041465    
C          2.433841827         1.229617977         4.120443140    
    20
Energy=    -1736.27452334900    
H          1.573842861         2.832091531         7.119090212    
H         -1.699482761       -0.1815508193         4.674930417    
H          1.573213868        0.3203352256         7.424067339    
H          3.387989385        0.2076751698E-01     5.765092092    
H          1.584791703        -1.611176344         4.419253326    
H          1.145476534        0.4738919741         2.449464362    
H          2.906042849         2.183359228         3.880987860    
H         -2.058423934         2.222106469         4.870076388    
H        -0.4654615502         3.704277359         6.082762958    
H         0.6418952858E-01    -1.103791309         6.240382797    
C         0.2978375571       -0.1942173017         5.666039905    
C          1.410463380       -0.5425087377         4.592815246    
C          1.586866593        0.4254393523         3.449694652    
C         -1.154949709         1.776381839         5.286255911    
C        -0.9524520227        0.4481896332         5.166938382    
C         0.9091639130         2.167512791         6.561864007    
C          1.301562631        0.7292294035         6.435984378    
C          2.425569970        0.3876840493         5.376367078    
C        -0.2131965222         2.644734287         5.991552047    
C          2.433043071         1.230300456         4.120017068    
    20
Energy=    -1736.27445127100    
H          1.573128411         2.832196395         7.119650814    
H         -1.699473246       -0.1815790762         4.675120619    
H          1.573020890        0.3202338096         7.423845488    
H          3.388416385        0.2112155077E-01     5.764262196    
H          1.584765449        -1.611351459         4.419593210    
H          1.144891064        0.4730627709         2.449458227    
H          2.905499442         2.183911395         3.881217249    
H         -2.058393512         2.221684997         4.870762417    
H        -0.4659682799         3.703860693         6.083059094    
H         0.6506314705E-01    -1.103584351         6.240491026    
C         0.2982362163       -0.1939212263         5.666308531    
C          1.410727474       -0.5425709491         4.593123540    
C          1.586768997        0.4249905624         3.449476635    
C         -1.154301036         1.776024204         5.285350832    
C        -0.9520818234        0.4479142868         5.166922783    
C         0.9090065715         2.167831120         6.561648012    
C          1.301791202        0.7297644057         6.435970014    
C          2.425686560        0.3881032504         5.376346969    
C        -0.2132881537         2.644573831         5.991129400    
C          2.432592332         1.230790452         4.119898694    
    20
Energy=    -1736.27438939000    
H          1.572876843         2.832135484         7.119932930    
H         -1.699742067       -0.1813926726         4.675328516    
H          1.572806540        0.3201698632         7.423784260    
H          3.388392416        0.2049373939E-01     5.764035793    
H          1.584212538        -1.611469699         4.419400450    
H          1.145011035        0.4730282083         2.449288416    
H          2.905945707         2.183855243         3.881547282    
H         -2.058341110         2.221712077         4.871225490    
H        -0.4659137672         3.703818955         6.083087993    
H         0.6524574536E-01    -1.103339987         6.240300135    
C         0.2982748875       -0.1935841888         5.666415983    
C          1.410592736       -0.5426063059         4.593200083    
C          1.586786541        0.4247836698         3.449190160    
C         -1.153994305         1.775967517         5.284924537    
C        -0.9520683851        0.4479389302         5.167000884    
C         0.9088991674         2.168021341         6.561455842    
C          1.301842025        0.7300331918         6.436001263    
C          2.425686487        0.3879635355         5.376469334    
C        -0.2132756671         2.644531411         5.991002047    
C          2.432850793         1.230996275         4.120044382    
    20
Energy=    -1736.27403121500    
H          1.572756873         2.832242829         7.119927046    
H         -1.699579909       -0.1816687321         4.675190982    
H          1.572910525        0.3201878281         7.423742108    
H          3.388591032        0.2122849967E-01     5.763847594    
H          1.584702712        -1.611395112         4.419729107    
H          1.144805631        0.4726803021         2.449781533    
H          2.905114018         2.183790369         3.881417808    
H         -2.058511266         2.221576638         4.871061668    
H        -0.4661983388         3.703633621         6.083228760    
H         0.6549130807E-01    -1.103469948         6.240533575    
C         0.2984474287       -0.1938459016         5.666409622    
C          1.410818227       -0.5427158989         4.593308443    
C          1.585927801        0.4241880474         3.448454913    
C         -1.153790655         1.775197396         5.284896485    
C        -0.9519527880        0.4484912866         5.167011066    
C         0.9090277711         2.167946059         6.561584436    
C          1.301891046        0.7300554275         6.435911474    
C          2.425796109        0.3882448112         5.376476243    
C        -0.2134038049         2.644655201         5.990889587    
C          2.433244474         1.232033950         4.120233358    
    20
Energy=    -1736.27401239900    
H          1.571582401         2.833247037         7.120283692    
H         -1.696650155       -0.1825735826         4.674655780    
H          1.573504400        0.3198336103         7.421851135    
H          3.391554287        0.2869102612E-01     5.761319987    
H          1.590163732        -1.611158645         4.422853718    
H          1.139888328        0.4686987439         2.450263650    
H          2.898645264         2.187702963         3.879445328    
H         -2.058748540         2.219156022         4.871088440    
H        -0.4692393143         3.701029709         6.085166043    
H         0.6860736497E-01    -1.105072288         6.242645832    
C         0.2998081906       -0.1948684642         5.667958516    
C          1.413231989       -0.5429003435         4.595616594    
C          1.585524635        0.4228851834         3.449339883    
C         -1.153256658         1.774386477         5.283158324    
C        -0.9493889266        0.4460664480         5.166103043    
C         0.9082458170         2.168727479         6.561124097    
C          1.301705226        0.7312427714         6.435778393    
C          2.425810544        0.3916630990         5.376624035    
C        -0.2136213894         2.643205908         5.989451146    
C          2.428725250         1.233094477         4.118905609    
    20
Energy=    -1736.27378912800    
H          1.571309903         2.833996243         7.120010438    
H         -1.694672056       -0.1836868940         4.673888928    
H          1.574277187        0.3198359203         7.421168832    
H          3.393122681        0.3400078278E-01     5.760319094    
H          1.594070853        -1.610749053         4.425059784    
H          1.137250252        0.4664958218         2.451415173    
H          2.893941018         2.189512651         3.877872681    
H         -2.059132916         2.217806147         4.870103409    
H        -0.4711163008         3.699800124         6.086096512    
H         0.7002114766E-01    -1.106348539         6.244266603    
C         0.3005954651       -0.1962589211         5.668339059    
C          1.414851551       -0.5429803122         4.596486582    
C          1.584454622        0.4221641898         3.449633333    
C         -1.153362617         1.773411943         5.283110752    
C        -0.9481456406        0.4454130797         5.165526834    
C         0.9081435721         2.168647782         6.561416231    
C          1.301703009        0.7312349880         6.435550259    
C          2.426008892        0.3938352231         5.376300050    
C        -0.2136988219         2.642736881         5.988945611    
C          2.426472164         1.234190243         4.118122202    
    20
Energy=    -1736.27347005900    
H          1.571149119         2.834627867         7.119515702    
H         -1.692793666       -0.1849830891         4.672935220    
H          1.575191723        0.3199261816         7.420809307    
H          3.394547114        0.3933198559E-01     5.759615261    
H          1.597914510        -1.610424639         4.427254231    
H          1.134774996        0.4644905657         2.452635523    
H          2.889299616         2.191282997         3.876220911    
H         -2.059421749         2.216500106         4.868844911    
H        -0.4728244901         3.698822388         6.086818782    
H         0.7115406602E-01    -1.107503140         6.245808713    
C         0.3013962507       -0.1977125535         5.668549577    
C          1.416481064       -0.5430388532         4.597058322    
C          1.583564924        0.4218046535         3.450307857    
C         -1.153528421         1.772330591         5.283392039    
C        -0.9471578951        0.4448821716         5.165052690    
C         0.9082843649         2.168335750         6.561973869    
C          1.301869376        0.7310466560         6.435328755    
C          2.426284289        0.3959789916         5.375691133    
C        -0.2140898693         2.642482181         5.988691921    
C          2.424000302         1.234878171         4.117126561    
    20
Energy=    -1736.27302334100    
H          1.570961077         2.834721595         7.118846783    
H         -1.691505017       -0.1863846472         4.671914198    
H          1.576213597        0.3201214630         7.420711316    
H          3.396001153        0.4427546797E-01     5.759379110    
H          1.601554616        -1.610717733         4.429055493    
H          1.132446556        0.4628217897         2.453497243    
H          2.885236082         2.193170971         3.874504431    
H         -2.059308679         2.215249039         4.867546317    
H        -0.4741214664         3.698296041         6.087496047    
H         0.7187721154E-01    -1.107900119         6.246674611    
C         0.3023175698       -0.1985904081         5.668859033    
C          1.418033421       -0.5434670645         4.597641008    
C          1.582764284        0.4213828299         3.450930633    
C         -1.153518485         1.770668643         5.283705362    
C        -0.9466258800        0.4445265337         5.165058207    
C         0.9084536922         2.168029558         6.562398310    
C          1.302328494        0.7311454654         6.435162011    
C          2.426726304        0.3977276920         5.375093727    
C        -0.2154328770         2.642470589         5.989107737    
C          2.421695199         1.235511837         4.116048774    
    20
Energy=    -1736.27278181800    
H          1.570750946         2.834764255         7.117467684    
H         -1.688681309       -0.1896986603         4.669679167    
H          1.578834328        0.3206606080         7.420625538    
H          3.399738080        0.5626877143E-01     5.759241609    
H          1.610602934        -1.612059977         4.433165386    
H          1.127083709        0.4588357775         2.455867653    
H          2.875406303         2.197424155         3.870222981    
H         -2.058305497         2.211805224         4.864470428    
H        -0.4775255132         3.698168577         6.089455089    
H         0.7330910048E-01    -1.108148139         6.248265023    
C         0.3045951120       -0.1998818915         5.669404244    
C          1.421810196       -0.5450862658         4.599148710    
C          1.579606811        0.4193862142         3.451216710    
C         -1.154484711         1.769012913         5.284443001    
C        -0.9455137455        0.4409835526         5.165197342    
C         0.9065284841         2.168050889         6.561842195    
C          1.304076211        0.7314524447         6.434793799    
C          2.428209665        0.4015423443         5.373624483    
C        -0.2173347656         2.641108324         5.991657384    
C          2.417394494         1.238471666         4.113839124    
    20
Energy=    -1736.27246337100    
H          1.570523108         2.834250590         7.116616326    
H         -1.687780106       -0.1914165348         4.668521996    
H          1.580210364        0.3210144371         7.420680079    
H          3.401741497        0.6197248312E-01     5.759500677    
H          1.615010028        -1.613308711         4.434868288    
H          1.124355958        0.4570735856         2.456560729    
H          2.871003777         2.199846556         3.868006028    
H         -2.057480659         2.210135721         4.862963728    
H        -0.4788397268         3.698307058         6.090458406    
H         0.7375579349E-01    -1.107590913         6.248429760    
C         0.3058863069       -0.1999892816         5.669915707    
C          1.423653117       -0.5462527155         4.600075612    
C          1.578262264        0.4183120083         3.451371353    
C         -1.154637893         1.767270199         5.284714975    
C        -0.9453081571        0.4396309654         5.165718989    
C         0.9058240734         2.168089680         6.561539374    
C          1.305107704        0.7319917031         6.434663090    
C          2.429043901        0.4031369929         5.373031778    
C        -0.2194465168         2.640767301         5.993367700    
C          2.415217354         1.239820085         4.112621549    
    20
Energy=    -1736.27231465000    
H          1.570343207         2.833990142         7.116555887    
H         -1.687889608       -0.1918497889         4.668420765    
H          1.580467972        0.3210506181         7.420659446    
H          3.402328601        0.6307480741E-01     5.759680418    
H          1.616084680        -1.613846573         4.435091999    
H          1.123846068        0.4566312275         2.456651528    
H          2.870260559         2.200371058         3.867495221    
H         -2.057293973         2.209778841         4.862707523    
H        -0.4792753096         3.698606013         6.090991583    
H         0.7383367789E-01    -1.107165454         6.248232269    
C         0.3062221017       -0.1997653067         5.670013938    
C          1.424057017       -0.5467372925         4.600339216    
C          1.577809408        0.4179112877         3.451282393    
C         -1.154662229         1.766876836         5.284656134    
C        -0.9454283423        0.4393246101         5.166002015    
C         0.9056015125         2.168237461         6.561117685    
C          1.305505048        0.7322491701         6.434543251    
C          2.429359428        0.4032290604         5.372917720    
C        -0.2200780117         2.640842319         5.993872869    
C          2.415010540         1.240252021         4.112393888    
    20
Energy=    -1736.27201894500    
H          1.570414983         2.833826350         7.116188368    
H         -1.687554067       -0.1922650386         4.667967648    
H          1.580937229        0.3212819881         7.420616670    
H          3.402885529        0.6475833050E-01     5.759734512    
H          1.617237578        -1.614173543         4.435548363    
H          1.122994341        0.4562807284         2.456865533    
H          2.868834421         2.200955393         3.866869839    
H         -2.056948681         2.209323128         4.862219385    
H        -0.4793498563         3.698418973         6.091037942    
H         0.7389488662E-01    -1.106988856         6.248218350    
C         0.3065976817       -0.1997703156         5.670329494    
C          1.424562629       -0.5471356715         4.600787880    
C          1.576993566        0.4170649130         3.450557115    
C         -1.154603267         1.765790512         5.284761332    
C        -0.9452317663        0.4392422048         5.166196655    
C         0.9052713965         2.168164204         6.561193028    
C          1.305570176        0.7324993005         6.434616223    
C          2.429511107        0.4037848245         5.373035106    
C        -0.2207945171         2.640577715         5.994551195    
C          2.414879427         1.241426557         4.112331050    
    20
Energy=    -1736.27188065700    
H          1.571760819         2.833916061         7.113690718    
H         -1.683875538       -0.1933377329         4.665056974    
H          1.583278576        0.3225515343         7.420788212    
H          3.404285887        0.7280144035E-01     5.759298086    
H          1.621298477        -1.614095303         4.438388612    
H          1.118330058        0.4553138448         2.457238368    
H          2.861816863         2.204486353         3.864234007    
H         -2.054782930         2.206960646         4.859832106    
H        -0.4784378139         3.696076505         6.088885271    
H         0.7407492232E-01    -1.108102046         6.249536447    
C         0.3077570046       -0.2009584622         5.671786073    
C          1.426724169       -0.5470422543         4.602228515    
C          1.576615119        0.4159973871         3.450449322    
C         -1.154984522         1.763822918         5.286121130    
C        -0.9431783236        0.4362518759         5.165730719    
C         0.9035592469         2.167250883         6.563638835    
C          1.304928493        0.7327173076         6.435745686    
C          2.429164811        0.4079709411         5.373124774    
C        -0.2226068624         2.637489785         5.996945238    
C          2.410375480         1.242991251         4.110905117    
    20
Energy=    -1736.27166162200    
H          1.572480807         2.834095779         7.112507852    
H         -1.682104172       -0.1937210642         4.663642495    
H          1.584309800        0.3231613359         7.420823391    
H          3.404731197        0.7624740817E-01     5.758988314    
H          1.622823555        -1.613809639         4.439665336    
H          1.116314489        0.4550369883         2.457442200    
H          2.858673117         2.205882431         3.863175741    
H         -2.053934303         2.206059717         4.858752237    
H        -0.4778002444         3.694753576         6.087631941    
H         0.7416538992E-01    -1.108797739         6.250222705    
C         0.3082104453       -0.2016731232         5.672556488    
C          1.427575181       -0.5468767853         4.602899500    
C          1.576287850        0.4153676159         3.450038752    
C         -1.155016174         1.762247584         5.286721479    
C        -0.9421448773        0.4355933675         5.165462591    
C         0.9029260264         2.166671733         6.565013652    
C          1.304337001        0.7327086229         6.436352301    
C          2.428849473        0.4099201118         5.373346911    
C        -0.2232369695         2.636158302         5.997915918    
C          2.408656890         1.244038368         4.110464430    
    20
Energy=    -1736.27153150000    
H          1.573004542         2.834391312         7.111755577    
H         -1.680837295       -0.1939723054         4.662664776    
H          1.584877966        0.3234395270         7.421026297    
H          3.404698416        0.7825836021E-01     5.758664041    
H          1.623490948        -1.613284119         4.440561084    
H          1.115276613        0.4549246874         2.457824465    
H          2.856704749         2.206515747         3.862704984    
H         -2.053527602         2.205563512         4.858080408    
H        -0.4773623174         3.693823768         6.086580831    
H         0.7424886507E-01    -1.109604863         6.250942502    
C         0.3083840857       -0.2024511883         5.672836551    
C          1.428006002       -0.5464942756         4.603062979    
C          1.576145928        0.4152943405         3.450013201    
C         -1.155015496         1.761525252         5.287183332    
C        -0.9415021451        0.4353723948         5.165139269    
C         0.9026664665         2.166177847         6.566139528    
C          1.304053016        0.7324956913         6.436739460    
C          2.428560674        0.4112126942         5.373289422    
C        -0.2232633561         2.635378975         5.998208229    
C          2.407494483         1.244497161         4.110206963    
    20
Energy=    -1736.27141324300    
H          1.573263725         2.834548534         7.111396644    
H         -1.680208902       -0.1941509759         4.662228036    
H          1.585098431        0.3235947452         7.421148267    
H          3.404663663        0.7922490154E-01     5.758434993    
H          1.623796551        -1.612937501         4.440982539    
H          1.114736914        0.4548927046         2.458103934    
H          2.855646116         2.206793305         3.862574608    
H         -2.053365998         2.205356126         4.857629042    
H        -0.4770605453         3.693306440         6.085951931    
H         0.7428642065E-01    -1.110078832         6.251387350    
C         0.3084796303       -0.2029673623         5.672892874    
C          1.428261403       -0.5462360180         4.603060726    
C          1.576161910        0.4153653654         3.450131173    
C         -1.154939566         1.760976301         5.287464235    
C        -0.9411780591        0.4355898885         5.164982222    
C         0.9026022934         2.165861308         6.566820748    
C          1.303927646        0.7323607787         6.436893175    
C          2.428425376        0.4119016980         5.373211040    
C        -0.2232634008         2.635062667         5.998242995    
C          2.406771174         1.244600402         4.110087083    
    20
Energy=    -1736.27098978700    
H          1.573443802         2.834639717         7.110945676    
H         -1.679594794       -0.1944162513         4.661321793    
H          1.585441745        0.3233020054         7.421425100    
H          3.404542977        0.8011473893E-01     5.758268240    
H          1.624069122        -1.612714471         4.441518435    
H          1.114327354        0.4548057927         2.457928362    
H          2.855070344         2.207501902         3.862213206    
H         -2.053264387         2.205228672         4.857538196    
H        -0.4769141929         3.692981669         6.085377185    
H         0.7446332873E-01    -1.110509348         6.251574701    
C         0.3085583382       -0.2033235977         5.673323787    
C          1.428217531       -0.5460013672         4.603225007    
C          1.576375792        0.4160198665         3.450971265    
C         -1.154609102         1.760024708         5.287424866    
C        -0.9411335707        0.4359153815         5.165015388    
C         0.9030158298         2.165574824         6.567305428    
C          1.303899671        0.7321737595         6.437274364    
C          2.428136992        0.4123471418         5.373130699    
C        -0.2235127534         2.635206101         5.998110115    
C          2.405570800         1.244193368         4.109731929    
    20
Energy=    -1736.27086978500    
H          1.575050836         2.836021132         7.108676071    
H         -1.676082388       -0.1954973645         4.656033081    
H          1.587648119        0.3217630272         7.423432805    
H          3.402896715        0.8524214693E-01     5.757726210    
H          1.625001950        -1.611089370         4.444976658    
H          1.113775691        0.4542418023         2.458874122    
H          2.851590830         2.209057292         3.860125678    
H         -2.052750547         2.204051836         4.857943112    
H        -0.4772993339         3.691988794         6.082850172    
H         0.7533117469E-01    -1.113386334         6.253103256    
C         0.3083984209       -0.2051118580         5.674796483    
C          1.427481578       -0.5448733532         4.604069754    
C          1.573460065        0.4162914111         3.450638994    
C         -1.153980925         1.759512567         5.287533288    
C        -0.9403533989        0.4341999296         5.164524080    
C         0.9025939341         2.164689157         6.568819981    
C          1.304543569        0.7309381426         6.439190260    
C          2.426490245        0.4144458819         5.372502014    
C        -0.2221556337         2.633459870         5.998426514    
C          2.404464344         1.247119968         4.109379862    
    20
Energy=    -1736.27052226000    
H          1.575718095         2.836552562         7.107375776    
H         -1.674325296       -0.1960770884         4.652566987    
H          1.589031645        0.3201997243         7.424612082    
H          3.402011917        0.8766749623E-01     5.757640078    
H          1.625453715        -1.610619414         4.446896037    
H          1.113776893        0.4538421270         2.458475288    
H          2.850764574         2.210528998         3.858566309    
H         -2.052508066         2.203550206         4.858916455    
H        -0.4778394157         3.691903052         6.081821403    
H         0.7600861308E-01    -1.114616115         6.253269857    
C         0.3082967708       -0.2055117535         5.676306650    
C          1.426554336       -0.5444855715         4.604936983    
C          1.572015464        0.4171105570         3.451301036    
C         -1.153375076         1.758843321         5.286973512    
C        -0.9404600172        0.4330162896         5.164604149    
C         0.9030429565         2.164463442         6.569017150    
C          1.304955167        0.7302819091         6.440589371    
C          2.425431396        0.4150209140         5.372351834    
C        -0.2218849919         2.633237973         5.998467759    
C          2.403435769         1.248156520         4.108933618    
    20
Energy=    -1736.27023614800    
H          1.575915039         2.836842965         7.106864950    
H         -1.673884694       -0.1961273096         4.651114713    
H          1.589720928        0.3196112064         7.425114725    
H          3.401427784        0.8853385180E-01     5.757941641    
H          1.625467466        -1.610652290         4.447729927    
H          1.114071229        0.4536221979         2.458003023    
H          2.851075347         2.211184969         3.857641836    
H         -2.052553971         2.203337058         4.859827432    
H        -0.4785136611         3.692032685         6.081977698    
H         0.7625523894E-01    -1.114898533         6.253124070    
C         0.3081603526       -0.2053586066         5.677022774    
C          1.425946224       -0.5444757240         4.605322857    
C          1.571614682        0.4173180911         3.451413591    
C         -1.153261598         1.759053790         5.286550950    
C        -0.9406238823        0.4320050013         5.164549076    
C         0.9033166545         2.164474380         6.568850640    
C          1.305206522        0.7300575739         6.441157413    
C          2.424938665        0.4149099340         5.372195318    
C        -0.2218797170         2.633212336         5.998759420    
C          2.403705831         1.248381836         4.108459794    
    20
Energy=    -1736.26931635000    
H          1.575990627         2.836747647         7.106409306    
H         -1.672982035       -0.1960876466         4.650289755    
H          1.590114055        0.3189359697         7.425592621    
H          3.401384066        0.8930226294E-01     5.757703604    
H          1.625818425        -1.610567019         4.448182233    
H          1.113678404        0.4535751268         2.457760620    
H          2.850558680         2.212086952         3.857374203    
H         -2.051887481         2.202939812         4.860059638    
H        -0.4783574300         3.691952648         6.081270727    
H         0.7646041803E-01    -1.115300761         6.253149357    
C         0.3081524618       -0.2052913643         5.677697703    
C          1.425671265       -0.5443759913         4.605679365    
C          1.571404509        0.4180808766         3.452197014    
C         -1.153532091         1.760405008         5.286148937    
C        -0.9406873493        0.4296329293         5.164335294    
C         0.9038157804         2.164517859         6.569039392    
C          1.305230610        0.7297098917         6.441772617    
C          2.424610113        0.4151316898         5.372250156    
C        -0.2219224431         2.633296739         5.998499160    
C          2.402583806         1.248372935         4.108210199    
    20
Energy=    -1736.26902145300    
H          1.577814415         2.836122278         7.104585784    
H         -1.667459525       -0.1985222184         4.644173159    
H          1.591362346        0.3137741960         7.426585578    
H          3.403963469        0.9262999011E-01     5.754356284    
H          1.628569941        -1.609212702         4.450078931    
H          1.111309483        0.4534392364         2.458187750    
H          2.844716462         2.214338564         3.857245989    
H         -2.049125471         2.202420194         4.858049788    
H        -0.4748566202         3.692125749         6.074311994    
H         0.7833074829E-01    -1.118211489         6.253444523    
C         0.3083175349       -0.2065653977         5.680952098    
C          1.425555569       -0.5430934474         4.608360028    
C          1.564713649        0.4202925716         3.454234254    
C         -1.151477793         1.756006677         5.285868605    
C        -0.9397128926        0.4292256077         5.166798829    
C         0.9031297114         2.164128523         6.568324782    
C          1.303907911        0.7292740251         6.445673741    
C          2.423533481        0.4186776647         5.374795996    
C        -0.2204004708         2.631854190         5.995670610    
C          2.393912653         1.254362988         4.111923753    
    20
Energy=    -1736.26845574900    
H          1.578324447         2.835442630         7.104032672    
H         -1.664906354       -0.1993334944         4.642976422    
H          1.591333748        0.3120164771         7.426825025    
H          3.405529946        0.9367899344E-01     5.752423196    
H          1.629913008        -1.608372273         4.450259306    
H          1.109659507        0.4536280310         2.459008142    
H          2.841304955         2.215017352         3.858190709    
H         -2.047351096         2.202061916         4.856232026    
H        -0.4724506855         3.691667746         6.070664881    
H         0.7891073934E-01    -1.119495700         6.253942633    
C         0.3086257568       -0.2074152336         5.681781968    
C          1.426101981       -0.5424999637         4.609139988    
C          1.562385917        0.4215315519         3.455429689    
C         -1.151230290         1.755329309         5.285985377    
C        -0.9392515024        0.4281998708         5.167433036    
C         0.9029509867         2.164044813         6.568711317    
C          1.303210485        0.7289250260         6.446883296    
C          2.423475277        0.4204994129         5.375985502    
C        -0.2197057421         2.631586741         5.994013827    
C          2.389273272         1.256554386         4.113704145    
    20
Energy=    -1736.26761174400    
H          1.578798074         2.834570332         7.103768841    
H         -1.662399114       -0.2005956994         4.642765379    
H          1.590629556        0.3106578980         7.427157949    
H          3.407377289        0.9490961405E-01     5.749585436    
H          1.631690223        -1.607012895         4.449829499    
H          1.107036146        0.4541469120         2.460832934    
H          2.836334159         2.215945173         3.860324537    
H         -2.045218729         2.201708110         4.852813762    
H        -0.4688994819         3.691074329         6.065762464    
H         0.7934894931E-01    -1.121051075         6.255038030    
C         0.3093688121       -0.2090334333         5.682139485    
C          1.427216830       -0.5417950976         4.609636436    
C          1.560000137        0.4228229533         3.456977749    
C         -1.150635823         1.754042362         5.286361259    
C        -0.9385086572        0.4284359969         5.168091285    
C         0.9029087440         2.163358853         6.570000405    
C          1.302648307        0.7282538018         6.447769786    
C          2.423614932        0.4225529278         5.377045862    
C        -0.2190213840         2.631302906         5.991627087    
C          2.383815245         1.258774150         4.116095737    
    20
Energy=    -1736.26600972900    
H          1.578803227         2.833200543         7.103764376    
H         -1.660477036       -0.2023490080         4.643956429    
H          1.589221113        0.3096329969         7.428902090    
H          3.409361335        0.9713086385E-01     5.745348329    
H          1.634676117        -1.605746893         4.448198788    
H          1.102257527        0.4552757355         2.463705806    
H          2.829291752         2.219243657         3.864305502    
H         -2.042283096         2.201062606         4.847397786    
H        -0.4638026158         3.690860624         6.059162404    
H         0.7946587458E-01    -1.122531136         6.256713876    
C         0.3103920087       -0.2111139685         5.683088515    
C          1.428389909       -0.5415764461         4.610080001    
C          1.557805848        0.4245257284         3.458958481    
C         -1.149166197         1.752320871         5.285457117    
C        -0.9376845964        0.4283255339         5.168513484    
C         0.9036929548         2.161890492         6.572285344    
C          1.302440395        0.7267523357         6.449072915    
C          2.423434467        0.4238045243         5.377604645    
C        -0.2183021679         2.631488823         5.989010397    
C          2.378587298         1.260870829         4.118098787    
    20
Energy=    -1736.26454004100    
H          1.580284560         2.833401708         7.102223606    
H         -1.655186990       -0.2046808492         4.642495693    
H          1.583582858        0.3086436062         7.431719953    
H          3.411777707        0.1015415541         5.734231309    
H          1.639743864        -1.603009919         4.445121960    
H          1.099477152        0.4539331674         2.467327289    
H          2.825438750         2.221661725         3.868314921    
H         -2.039583385         2.199666817         4.839432085    
H        -0.4571509263         3.692347274         6.050190377    
H         0.7901334133E-01    -1.122674048         6.260479809    
C         0.3109405408       -0.2125601308         5.684671573    
C          1.428191476       -0.5411227954         4.611369129    
C          1.553391841        0.4251846489         3.461129561    
C         -1.151000539         1.752379269         5.287859007    
C        -0.9349168522        0.4274008011         5.169512576    
C         0.9006010996         2.158688927         6.575080456    
C          1.302628329        0.7245945160         6.451178634    
C          2.421867914        0.4243774249         5.377523673    
C        -0.2177530273         2.628349078         5.992275879    
C          2.374756410         1.264947148         4.121489227    
    20
Energy=    -1736.26221427200    
H          1.580100930         2.832001080         7.101696450    
H         -1.653017952       -0.2072018617         4.644065757    
H          1.579422444        0.3077963067         7.437081989    
H          3.414109048        0.1064932304         5.724822949    
H          1.645787604        -1.602173044         4.440847034    
H          1.092360648        0.4546466727         2.471317682    
H          2.817993587         2.229247719         3.874768278    
H         -2.035687971         2.198086717         4.830627098    
H        -0.4495475081         3.694078438         6.040754013    
H         0.7824937405E-01    -1.122849154         6.263694433    
C         0.3115067885       -0.2142129891         5.687763960    
C          1.428074019       -0.5419376955         4.612335118    
C          1.551079291        0.4274801296         3.463704576    
C         -1.149579589         1.751013423         5.285499302    
C        -0.9333111185        0.4249970639         5.169853157    
C         0.9004593870         2.155859827         6.578136473    
C          1.303051007        0.7216132752         6.454195532    
C          2.420144488        0.4233941917         5.376872991    
C        -0.2167310573         2.627567870         5.993400299    
C          2.371641173         1.267169375         4.122191106    
    20
Energy=    -1736.26081751300    
H          1.580021568         2.831589179         7.101385831    
H         -1.652166658       -0.2077764806         4.644478997    
H          1.577950700        0.3074999590         7.439094807    
H          3.414837950        0.1081572596         5.721567106    
H          1.647827228        -1.602100968         4.439361221    
H          1.090287600        0.4546686140         2.472430906    
H          2.816232387         2.231753614         3.876758348    
H         -2.034381217         2.197396956         4.828044785    
H        -0.4472357158         3.694740676         6.037963111    
H         0.7789767502E-01    -1.122645072         6.264754090    
C         0.3115621065       -0.2144394838         5.688998272    
C          1.427737523       -0.5423604448         4.612635543    
C          1.550495556        0.4282637537         3.464406723    
C         -1.149561511         1.751227721         5.284580900    
C        -0.9330065409        0.4233773247         5.169768305    
C         0.8999069587         2.155349266         6.578802438    
C          1.303222119        0.7205651444         6.455342633    
C          2.419452687        0.4228994476         5.376576195    
C        -0.2161559190         2.627137135         5.994647394    
C          2.371180413         1.267767186         4.122031332    
    20
Energy=    -1736.25584059000    
H          1.581190435         2.836198000         7.094817131    
H         -1.646204772       -0.2031538087         4.633480762    
H          1.573426674        0.3087235487         7.435714985    
H          3.411900109        0.1054838596         5.718809617    
H          1.643290508        -1.601770797         4.442369772    
H          1.108750523        0.4450587429         2.463428392    
H          2.844310163         2.219216666         3.864108674    
H         -2.043593784         2.198299599         4.838723205    
H        -0.4570495810         3.694529421         6.051220544    
H         0.7693513073E-01    -1.116177017         6.264250047    
C         0.3090234058       -0.2084514907         5.688833075    
C          1.422529604       -0.5411897161         4.613196805    
C          1.556658236        0.4273293206         3.464921743    
C         -1.160295719         1.754049224         5.296181226    
C        -0.9350288686        0.4254163403         5.169143810    
C         0.8981754221         2.157611320         6.579090925    
C          1.302447011        0.7235480697         6.452604869    
C          2.417181890        0.4212230693         5.375072848    
C        -0.2264552413         2.626682575         6.010713168    
C          2.378913373         1.260443462         4.116947301    
    20
Energy=    -1736.25243226500    
H          1.579018603         2.830378418         7.099674218    
H         -1.651941571       -0.2097950630         4.643215113    
H          1.574963747        0.3064421337         7.445648593    
H          3.416653026        0.1114884271         5.714108196    
H          1.652085842        -1.602939911         4.435683643    
H          1.088037699        0.4538212504         2.474097312    
H          2.816872754         2.236683462         3.879526932    
H         -2.032928054         2.195958983         4.824123928    
H        -0.4425369614         3.695244876         6.034725752    
H         0.7630887308E-01    -1.121081973         6.267345080    
C         0.3112739149       -0.2149228326         5.692957510    
C          1.425628061       -0.5447248845         4.612329332    
C          1.548098954        0.4290884837         3.462424509    
C         -1.146448954         1.744865797         5.282506594    
C        -0.9349599034        0.4283414443         5.170718965    
C         0.9005654585         2.156754023         6.580395240    
C          1.302921045        0.7187066778         6.458443684    
C          2.418192146        0.4227311146         5.376131908    
C        -0.2195335868         2.627171679         5.998153856    
C          2.373834403         1.268859344         4.121419517    
    20
Energy=    -1736.24320567500    
H          1.577290767         2.819740263         7.115484342    
H         -1.665778926       -0.2221813390         4.669182691    
H          1.583188981        0.3020063154         7.460644733    
H          3.425990657        0.1211565693         5.713603108    
H          1.667929055        -1.606478827         4.424571927    
H          1.038107784        0.4763246551         2.493461994    
H          2.750601034         2.274170080         3.913476432    
H         -2.006018720         2.190496842         4.795814780    
H        -0.4142764319         3.695946506         5.999032983    
H         0.7673236990E-01    -1.135771654         6.271682215    
C         0.3152411439       -0.2276853379         5.696059362    
C          1.435707592       -0.5474539785         4.608707665    
C          1.538483868        0.4366834347         3.469365790    
C         -1.121565192         1.745613756         5.251519229    
C        -0.9288666812        0.4150695801         5.172604711    
C         0.9020559044         2.149576704         6.577969739    
C          1.304587395        0.7115667235         6.470306742    
C          2.422252031        0.4269959419         5.377894776    
C        -0.1971785857         2.627420722         5.963574806    
C          2.351623759         1.279876366         4.128673916    
    20
Energy=    -1736.23514741800    
H          1.575714208         2.813989900         7.123592032    
H         -1.672553981       -0.2272801991         4.683584784    
H          1.588846599        0.3009566829         7.463472819    
H          3.429351251        0.1241810924         5.717774599    
H          1.672933479        -1.605950698         4.421376646    
H          1.015224566        0.4884989141         2.504313420    
H          2.715342285         2.289714251         3.928472546    
H         -1.994845229         2.189691637         4.782543979    
H        -0.4026173948         3.696447289         5.982457711    
H         0.7820312833E-01    -1.144043450         6.271980519    
C         0.3189827014       -0.2355127682         5.695826650    
C          1.443020272       -0.5484276598         4.608711635    
C          1.532486847        0.4391310708         3.470622367    
C         -1.109578097         1.743886935         5.237833925    
C        -0.9260433982        0.4102302466         5.172548407    
C         0.9038233781         2.147174342         6.578187198    
C          1.305821699        0.7070227084         6.472588466    
C          2.425128351        0.4289023525         5.379768120    
C        -0.1823238227         2.627602148         5.943119692    
C          2.339190840         1.286858922         4.134855770    
    20
Energy=    -1736.22626787200    
H          1.575972708         2.809883060         7.128770680    
H         -1.676054356       -0.2305215525         4.693526653    
H          1.593298106        0.2998638680         7.463254686    
H          3.430694336        0.1245437943         5.723142393    
H          1.675076055        -1.605489284         4.420989592    
H         0.9992010563        0.4966936456         2.511514532    
H          2.690720803         2.298902453         3.938673591    
H         -1.989103655         2.190562907         4.774467848    
H        -0.3980173481         3.699661655         5.972054363    
H         0.8067567434E-01    -1.149810226         6.271043582    
C         0.3223817052       -0.2404422836         5.694014863    
C          1.449888245       -0.5487033671         4.609283388    
C          1.529100419        0.4384624142         3.469159918    
C         -1.103007405         1.745502742         5.229975244    
C        -0.9234245523        0.4050374728         5.172135550    
C         0.9040255102         2.145087077         6.579058379    
C          1.306390796        0.7042345027         6.473406145    
C          2.427719620        0.4295219148         5.381258176    
C        -0.1714542392         2.627791535         5.928465398    
C          2.332023749         1.292291768         4.139435889    
    20
Energy=    -1736.21266499100    
H          1.576248744         2.808005708         7.130669752    
H         -1.676784247       -0.2312985543         4.697876710    
H          1.595222993        0.2993336768         7.463049702    
H          3.431340866        0.1243578066         5.725719556    
H          1.675754287        -1.605155233         4.421068541    
H         0.9929915468        0.4999831343         2.515288278    
H          2.680378142         2.301879631         3.942955367    
H         -1.986450598         2.190697858         4.771632709    
H        -0.3966808814         3.701388599         5.967956599    
H         0.8182844123E-01    -1.152167713         6.270541388    
C         0.3240939330       -0.2420695446         5.693094286    
C          1.452917382       -0.5491319614         4.609926808    
C          1.526079090        0.4365753534         3.465603409    
C         -1.101604589         1.749677086         5.226796521    
C        -0.9225836456        0.3994599340         5.171436721    
C         0.9032920157         2.145210790         6.579552439    
C          1.306645044        0.7025798890         6.473320876    
C          2.428752233        0.4298029317         5.382057136    
C        -0.1662820053         2.627373132         5.922699462    
C          2.330948468         1.296571709         4.142384532    
    20
Energy=    -1736.20641476200    
H          1.564550824         2.804592171         7.149165393    
H         -1.692258051       -0.2351672091         4.722219292    
H          1.600178970        0.3055036579         7.461407334    
H          3.435185739        0.1395249781         5.724261631    
H          1.684313103        -1.600242513         4.410857131    
H         0.9712430146        0.5198622822         2.532759045    
H          2.630732826         2.327946740         3.957519242    
H         -1.963795501         2.184763279         4.746479942    
H        -0.3638626214         3.689568498         5.936098177    
H         0.7914440716E-01    -1.164916142         6.270741365    
C         0.3250226559       -0.2532292884         5.699557128    
C          1.451675529       -0.5494284552         4.614400780    
C          1.508185647        0.4521314897         3.489014730    
C         -1.077653289         1.735023638         5.203334059    
C        -0.9153533292        0.3939425451         5.172640364    
C         0.9181950930         2.132276658         6.574277047    
C          1.312148396        0.6967881653         6.474500168    
C          2.427066006        0.4285874427         5.383714033    
C        -0.1388828599         2.617256775         5.894274380    
C          2.300270871         1.308289599         4.156409812    
    20
Energy=    -1736.19637786700    
H          1.556687287         2.804577793         7.156543769    
H         -1.698972902       -0.2346614214         4.731040464    
H          1.600159516        0.3101051792         7.462571624    
H          3.437718371        0.1489639138         5.718742544    
H          1.688856652        -1.597073564         4.403934776    
H         0.9688009380        0.5268145432         2.540719644    
H          2.615714024         2.337131631         3.960463265    
H         -1.952517362         2.179326714         4.736232692    
H        -0.3455813410         3.679919383         5.923527804    
H         0.7482068771E-01    -1.168827913         6.272328441    
C         0.3238246537       -0.2568384681         5.705814318    
C          1.445810761       -0.5506449472         4.617060302    
C          1.495275866        0.4595958596         3.498453370    
C         -1.067030646         1.731507954         5.194043443    
C        -0.9141718436        0.3875428611         5.172522218    
C         0.9259558594         2.129533592         6.570998586    
C          1.315076643        0.6932062460         6.473761653    
C          2.424760427        0.4280132386         5.384628201    
C        -0.1287157276         2.608115068         5.886141896    
C          2.289636715         1.316766182         4.164102455    
    20
Energy=    -1736.19004004900    
H          1.552792039         2.805457179         7.158685016    
H         -1.701641417       -0.2337909129         4.732908666    
H          1.599082750        0.3124825744         7.464543921    
H          3.439735282        0.1532627035         5.714392055    
H          1.690936695        -1.595918419         4.400041375    
H         0.9709010292        0.5283497275         2.542993526    
H          2.614225809         2.340332474         3.959701815    
H         -1.947563486         2.176046049         4.733234198    
H        -0.3371982795         3.673665458         5.920088784    
H         0.7147745189E-01    -1.169522734         6.274173524    
C         0.3224410204       -0.2579592561         5.709167912    
C          1.441926293       -0.5508202748         4.618115713    
C          1.490422565        0.4644335394         3.503036232    
C         -1.064108217         1.729105340         5.190515269    
C        -0.9146550330        0.3857115447         5.172553065    
C         0.9296352296         2.129073742         6.569511743    
C          1.316438978        0.6918466349         6.473696251    
C          2.422416200        0.4287289245         5.384289034    
C        -0.1263769380         2.605093322         5.885321741    
C          2.285221246         1.317495867         4.166661801    
    20
Energy=    -1736.17204452000    
H          1.549197247         2.798931257         7.166253906    
H         -1.702525793       -0.2365438395         4.744636520    
H          1.604584637        0.3075679711         7.461395501    
H          3.436473809        0.1570330212         5.719417152    
H          1.690797618        -1.597676507         4.401675447    
H         0.9625089710        0.5347842669         2.553454603    
H          2.592972461         2.348766884         3.967107061    
H         -1.936865679         2.175220038         4.724887334    
H        -0.3267394167         3.668235258         5.902943390    
H         0.7930926901E-01    -1.174401793         6.268118207    
C         0.3242931661       -0.2589011199         5.709984344    
C          1.440679516       -0.5532242284         4.617649747    
C          1.479709513        0.4669121473         3.505693604    
C         -1.059531441         1.720984092         5.179733680    
C        -0.9128884813        0.3897845060         5.173637929    
C         0.9328243078         2.127998659         6.565540742    
C          1.318177567        0.6893226201         6.473720774    
C          2.419427927        0.4302690615         5.384384630    
C        -0.1184445567         2.611457642         5.881264351    
C          2.282149045         1.326553850         4.172132478    
    20
Energy=    -1736.15356441100    
H          1.550765168         2.778761045         7.180190387    
H         -1.696445197       -0.2448363594         4.770480804    
H          1.622598573        0.2875830717         7.449373341    
H          3.419225368        0.1545657265         5.745495901    
H          1.688955776        -1.613151646         4.416856225    
H         0.9374120192        0.5459655846         2.575606672    
H          2.541596031         2.368388322         3.986039755    
H         -1.926599637         2.181674402         4.713625443    
H        -0.3269141044         3.682497164         5.872085306    
H         0.1082643943        -1.184213738         6.245572601    
C         0.3296566434       -0.2564478494         5.700303021    
C          1.447490721       -0.5558673727         4.612607827    
C          1.472087308        0.4739386663         3.518427101    
C         -1.042946356         1.733267095         5.168383146    
C        -0.9037422710        0.3908328739         5.173435812    
C         0.9386991486         2.128553190         6.551379806    
C          1.318113790        0.6913434495         6.471381366    
C          2.419455390        0.4316034663         5.382926359    
C        -0.1160116775         2.609781405         5.864987030    
C          2.274449710         1.328836849         4.174471206    
    20
Energy=    -1736.11638903800    
H          1.554008193         2.760867140         7.191895118    
H         -1.690633713       -0.2544550428         4.792543642    
H          1.638628669        0.2685469049         7.439988659    
H          3.407499821        0.1517236675         5.767739123    
H          1.680812740        -1.618306804         4.430714630    
H         0.9073905081        0.5568309044         2.587497509    
H          2.498274914         2.383107458         4.005872205    
H         -1.913683577         2.186969147         4.700484114    
H        -0.3237279811         3.689734312         5.841502314    
H         0.1347920829        -1.194385087         6.229341012    
C         0.3391992550       -0.2568935059         5.693055087    
C          1.458108070       -0.5569920430         4.608806118    
C          1.472404176        0.4734404444         3.517429463    
C         -1.037576279         1.738093941         5.158134978    
C        -0.9008349137        0.3935767021         5.176403094    
C         0.9305737684         2.132444242         6.551975902    
C          1.316757988        0.6874067510         6.470622451    
C          2.419948165        0.4346305480         5.382094375    
C        -0.1057484815         2.622946899         5.852599395    
C          2.269916671         1.333789041         4.174929289    
    20
Energy=    -1736.09532664900    
H          1.559037761         2.755649276         7.191661717    
H         -1.686418100       -0.2562688061         4.796535408    
H          1.643394932        0.2635600174         7.432946604    
H          3.402696212        0.1451569614         5.780398791    
H          1.678514179        -1.621317903         4.439075701    
H         0.8966527789        0.5583416078         2.588913150    
H          2.486860103         2.385337074         4.011420847    
H         -1.917697564         2.192639200         4.702534953    
H        -0.3350267109         3.698783104         5.839545156    
H         0.1447865365        -1.195920091         6.221837305    
C         0.3440614563       -0.2552358272         5.687691490    
C          1.464987625       -0.5588159056         4.607587893    
C          1.479094892        0.4681143231         3.515803912    
C         -1.040723675         1.742924090         5.157545106    
C        -0.8983262814        0.3936531721         5.174889834    
C         0.9265912704         2.134110249         6.551178972    
C          1.315843233        0.6868132335         6.468176950    
C          2.423038676        0.4327624663         5.382695793    
C        -0.1027446439         2.630263821         5.850277832    
C          2.271487151         1.332526371         4.172910250    
    20
Energy=    -1736.07172851500    
H          1.559841808         2.747877515         7.197716465    
H         -1.685750545       -0.2622156128         4.807950990    
H          1.649663254        0.2564692651         7.426728165    
H          3.401316179        0.1453877787         5.789742103    
H          1.671497088        -1.618671399         4.444110921    
H         0.8774823138        0.5657520612         2.593041795    
H          2.465832735         2.394838418         4.024049921    
H         -1.912665896         2.197288584         4.688366484    
H        -0.3289089562         3.706529275         5.818791225    
H         0.1568807097        -1.202071433         6.216095469    
C         0.3479281191       -0.2569513229         5.688199562    
C          1.469595957       -0.5541208331         4.606358761    
C          1.482917216        0.4634107417         3.503253470    
C         -1.034602530         1.740217849         5.156386459    
C        -0.8960551901        0.3912434153         5.180198272    
C         0.9270753129         2.126553318         6.570255588    
C          1.312263079        0.6855255305         6.469458008    
C          2.425155103        0.4355493944         5.383215308    
C        -0.1004177482         2.636093463         5.835853540    
C          2.267061686         1.334371327         4.173854411    
    20
Energy=    -1736.03425495700    
H          1.553777806         2.742045856         7.219130741    
H         -1.691775174       -0.2712131440         4.830164174    
H          1.655722402        0.2485345437         7.426764339    
H          3.408442999        0.1618378648         5.784543240    
H          1.659023675        -1.604528751         4.438252790    
H         0.8499032461        0.5818334970         2.596323722    
H          2.436300152         2.413912647         4.044496018    
H         -1.884193255         2.192129523         4.649899323    
H        -0.2881216814         3.707007701         5.768094124    
H         0.1652463254        -1.214769625         6.218063341    
C         0.3466638852       -0.2626092691         5.700465831    
C          1.465634363       -0.5412750168         4.604707973    
C          1.483447925        0.4683284657         3.489164615    
C         -1.022057868         1.732110207         5.146974743    
C        -0.8964090316        0.3756380993         5.197137182    
C         0.9107506144         2.115222646         6.598741324    
C          1.308342129        0.6796866689         6.480493211    
C          2.420490189        0.4464815417         5.381650951    
C        -0.7395717725E-01     2.621938149         5.822470641    
C          2.248878626         1.340765622         4.176089157    
    20
Energy=    -1735.97245845200    
H          1.535597266         2.736545524         7.253721792    
H         -1.706540500       -0.2850844380         4.861152654    
H          1.662404357        0.2379075268         7.439631961    
H          3.417312450        0.1976735826         5.758401270    
H          1.643866201        -1.580596401         4.419074510    
H         0.8220335587        0.6056178032         2.598595348    
H          2.401259544         2.434158140         4.067746071    
H         -1.829525669         2.175140449         4.589826955    
H        -0.2085167904         3.685463878         5.691967796    
H         0.1679647384        -1.233968225         6.230171862    
C         0.3411197885       -0.2748700620         5.722848362    
C          1.450221790       -0.5252860794         4.600913390    
C          1.466556606        0.4840415106         3.485265270    
C        -0.9978598888         1.703808334         5.128437413    
C        -0.9021548159        0.3667607252         5.222555343    
C         0.8943603023         2.099430299         6.632023792    
C          1.305695724        0.6707030432         6.501826536    
C          2.410700344        0.4631160317         5.381474257    
C        -0.4036817552E-01     2.603845761         5.806650510    
C          2.221984689         1.368668725         4.181344542    
    20
Energy=    -1735.88745629000    
H          1.516792648         2.733024656         7.288086941    
H         -1.721761517       -0.2978162534         4.890192751    
H          1.667301361        0.2286525307         7.455487984    
H          3.427461485        0.2345953239         5.729078378    
H          1.631122157        -1.560842872         4.397238450    
H         0.8022322560        0.6272896417         2.605954030    
H          2.370454924         2.458585934         4.087431869    
H         -1.774215419         2.155524742         4.530817282    
H        -0.1251258087         3.663810683         5.617768397    
H         0.1670959157        -1.252446690         6.244654304    
C         0.3325332063       -0.2869477433         5.745658361    
C          1.431656614       -0.5045243884         4.598546560    
C          1.446724384        0.5085694128         3.478880344    
C        -0.9685488881         1.689541406         5.113190487    
C        -0.9085143432        0.3487660464         5.247736543    
C         0.8825344686         2.082524891         6.663600551    
C          1.303972292        0.6634284349         6.524185765    
C          2.400232785        0.4829312988         5.378979262    
C        -0.1678068937E-01     2.575334792         5.788559541    
C          2.190945828         1.383072703         4.187584256    
    20
Energy=    -1735.78671531000    
H          1.493288216         2.728758708         7.321309684    
H         -1.737609535       -0.3103565253         4.917326237    
H          1.673109587        0.2170746629         7.480023552    
H          3.432992817        0.2739156905         5.693309136    
H          1.621100584        -1.542347953         4.372055153    
H         0.7921535706        0.6473339276         2.613467385    
H          2.345991216         2.476922112         4.101064126    
H         -1.714209586         2.131980941         4.474174351    
H        -0.4036260684E-01     3.630202089         5.548802886    
H         0.1633633548        -1.270481579         6.263273716    
C         0.3231430437       -0.3007987808         5.766360448    
C          1.410382205       -0.4894716133         4.594557603    
C          1.414397297        0.5376757955         3.486195387    
C        -0.9404679197         1.670772552         5.095365597    
C        -0.9162369262        0.3396817483         5.268748707    
C         0.8740025750         2.072688736         6.678978861    
C          1.305426333        0.6555164847         6.547908597    
C          2.388267586        0.5039400828         5.375782231    
C         0.5978165198E-02     2.553336393         5.777385519    
C          2.161405175         1.406728451         4.197545163    
    20
Energy=    -1735.68009536100    
H          1.466050596         2.722411588         7.351588145    
H         -1.751346681       -0.3207346116         4.944838893    
H          1.679375504        0.2051167156         7.506644251    
H          3.436419127        0.3139320808         5.655686452    
H          1.611707145        -1.523471913         4.345979257    
H         0.7799870650        0.6677061264         2.611810316    
H          2.324479524         2.494407658         4.112593360    
H         -1.653858567         2.107931424         4.419787412    
H         0.4370935250E-01     3.592326104         5.483446216    
H         0.1587270329        -1.288316257         6.282656178    
C         0.3161562511       -0.3136264241         5.786726106    
C          1.389717393       -0.4766895681         4.589753009    
C          1.384971033        0.5704480322         3.514380017    
C        -0.9125516389         1.656055232         5.074052725    
C        -0.9267018971        0.3233401214         5.288006177    
C         0.8767302056         2.063308938         6.699123601    
C          1.305825896        0.6461282243         6.570108901    
C          2.374987347        0.5219354134         5.372836130    
C         0.2207642531E-01     2.540355299         5.760802199    
C          2.129656233         1.430505001         4.202817934    
    20
Energy=    -1735.54738495500    
H          1.436029603         2.716462747         7.383912657    
H         -1.765274722       -0.3308559295         4.971762584    
H          1.686685153        0.1922605918         7.534281186    
H          3.432445376        0.3550486456         5.611823840    
H          1.603988049        -1.507678905         4.316660264    
H         0.7785654667        0.6859910005         2.616477055    
H          2.310848911         2.516798408         4.117009311    
H         -1.595371485         2.084721584         4.365748678    
H         0.1215171568         3.558377619         5.420660054    
H         0.1541347470        -1.303220494         6.302218427    
C         0.3111913408       -0.3279558220         5.805446920    
C          1.373157357       -0.4659623374         4.595969951    
C          1.333699911        0.6058683541         3.534859716    
C        -0.8831776346         1.641182402         5.053576604    
C        -0.9323040527        0.3098623318         5.304246075    
C         0.8829233876         2.054218790         6.703169259    
C          1.307572027        0.6335228852         6.594551584    
C          2.358427606        0.5346422621         5.375468409    
C         0.4135699544E-01     2.521455538         5.746661946    
C          2.099705073         1.458325387         4.219135701    
    20
Energy=    -1735.42862307000    
H          1.411674696         2.710638160         7.403071777    
H         -1.773213361       -0.3357080420         4.991388067    
H          1.692175206        0.1839033337         7.552050134    
H          3.424742233        0.3823961921         5.581376992    
H          1.598542524        -1.494170861         4.295723233    
H         0.7782241817        0.6987654287         2.609268775    
H          2.307252956         2.535928712         4.115253343    
H         -1.556606808         2.069904014         4.328289543    
H         0.1706372930         3.536631033         5.381883428    
H         0.1512513949        -1.311841588         6.314116479    
C         0.3137879686       -0.3368561610         5.818924572    
C          1.366728316       -0.4642758246         4.607424624    
C          1.282926938        0.6323671523         3.563833545    
C        -0.8593890747         1.632241292         5.031510152    
C        -0.9362068944        0.2933236334         5.315628127    
C         0.8928009021         2.048912826         6.707524636    
C          1.305397490        0.6212928365         6.608876024    
C          2.347714866        0.5344303761         5.379001929    
C         0.5678867056E-01     2.511744299         5.733419581    
C          2.080894161         1.483434464         4.235078681    
    20
Energy=    -1735.36021776600    
H          1.404139189         2.709579210         7.408485955    
H         -1.775380120       -0.3365322016         4.997076870    
H          1.693534066        0.1820642774         7.556470856    
H          3.421692431        0.3904510461         5.572672091    
H          1.596722460        -1.489870716         4.289661697    
H         0.7783849731        0.7028316914         2.601562193    
H          2.306846669         2.542770745         4.114164963    
H         -1.547165329         2.066972020         4.317702532    
H         0.1838812437         3.532183460         5.370834075    
H         0.1503610796        -1.313670999         6.316432371    
C         0.3162752297       -0.3387687210         5.822109671    
C          1.366421543       -0.4663234625         4.613040914    
C          1.260259027        0.6354466390         3.576084173    
C        -0.8521093535         1.628425107         5.023473739    
C        -0.9383314537        0.2848640549         5.317805144    
C         0.8974107990         2.049265309         6.707648320    
C          1.304125582        0.6169718657         6.611723325    
C          2.345137864        0.5302011829         5.381386026    
C         0.5901404394E-01     2.510725651         5.734961355    
C          2.084905765         1.495473706         4.240348704    
    20
Energy=    -1735.23652837100    
H          1.391604110         2.712342419         7.426523622    
H         -1.786519535       -0.3430550433         5.004815627    
H          1.696385635        0.1785492213         7.563062935    
H          3.411647671        0.4110895895         5.549376360    
H          1.592076094        -1.484403304         4.275357220    
H         0.7659016246        0.7127726665         2.586866408    
H          2.303124285         2.573245604         4.112661289    
H         -1.527462548         2.061468534         4.291674302    
H         0.2167826711         3.520481710         5.345113891    
H         0.1495175521        -1.310536780         6.320545984    
C         0.3136017424       -0.3498177455         5.828384101    
C          1.367175736       -0.4603419830         4.625870797    
C          1.269740913        0.6372581221         3.595418382    
C        -0.8616460744         1.607413408         5.032646989    
C        -0.9283471589        0.2942071058         5.317592565    
C         0.9063179821         2.037310809         6.688596564    
C          1.308261418        0.6096430409         6.627833360    
C          2.326473816        0.5243844441         5.394304678    
C         0.7017763817E-01     2.508997628         5.742419167    
C          2.071311816         1.492050318         4.244580516    
    20
Energy=    -1735.00857192800    
H          1.363684808         2.692772972         7.430384988    
H         -1.775987417       -0.3309743911         5.022839938    
H          1.707266556        0.1698330030         7.581702765    
H          3.382352888        0.4416232887         5.509858421    
H          1.582205902        -1.455349362         4.258827808    
H         0.7351628999        0.7300361479         2.600410525    
H          2.296733516         2.601174971         4.107286132    
H         -1.492538941         2.045003482         4.247723353    
H         0.2667077361         3.502965118         5.309056335    
H         0.1463797939        -1.313576645         6.335832900    
C         0.3083614068       -0.3448235131         5.841604372    
C          1.366557860       -0.4569867880         4.631346853    
C          1.328132038        0.6129582513         3.566340803    
C        -0.8919001198         1.622339161         5.068388702    
C        -0.9302302557        0.2731663477         5.318210326    
C         0.9320695101         2.025873794         6.697240008    
C          1.310496378        0.5931623706         6.638210618    
C          2.302902219        0.5325412253         5.420048844    
C         0.1154839132         2.475086438         5.698293265    
C          2.002274282         1.516238341         4.290033522    
    20
Energy=    -1734.77985663600    
H          1.344363404         2.673199346         7.429145986    
H         -1.763685162       -0.3228308557         5.044669164    
H          1.715180265        0.1612959867         7.592468840    
H          3.371815623        0.4503100201         5.491183076    
H          1.579227924        -1.424218314         4.241992286    
H         0.7229325905        0.7429540030         2.611679355    
H          2.309615453         2.588284842         4.094425495    
H         -1.458275489         2.028475017         4.209466907    
H         0.2847144298         3.488984871         5.293997510    
H         0.1481260430        -1.326293573         6.353929583    
C         0.3112490512       -0.3506387975         5.862543365    
C          1.352008860       -0.4408010489         4.629643816    
C          1.302484272        0.6316586885         3.588722984    
C        -0.8664863696         1.599645903         5.050052280    
C        -0.9231242803        0.2877531953         5.332310269    
C         0.9079696585         2.007758110         6.705724843    
C          1.308790725        0.5827660586         6.650009528    
C          2.291742800        0.5483178276         5.416340406    
C         0.2008628944         2.440155897         5.632944423    
C          1.916599697         1.566283446         4.342391628    
    20
Energy=    -1734.51812164100    
H          1.339891126         2.662765374         7.429449433    
H         -1.757144826       -0.3202428469         5.051149298    
H          1.720544112        0.1544430947         7.601562248    
H          3.367887107        0.4566302458         5.480239369    
H          1.579275998        -1.417694527         4.237526829    
H         0.7105693103        0.7462016508         2.642247556    
H          2.303550913         2.568689070         4.095352885    
H         -1.437543532         2.014487571         4.197547775    
H         0.2996033887         3.472049975         5.286514679    
H         0.1476636384        -1.332360789         6.365636312    
C         0.3050449718       -0.3520134545         5.870525049    
C          1.341260792       -0.4269693697         4.616351357    
C          1.342546313        0.6348816159         3.560616219    
C        -0.8719423957         1.615461607         5.060052764    
C        -0.9233785027        0.2999016053         5.341118057    
C         0.8967432499         1.995128644         6.710097704    
C          1.311714796        0.5803524484         6.662009339    
C          2.282170169        0.5712386559         5.415605225    
C         0.2379258981         2.419774191         5.587681934    
C          1.859719940         1.590339044         4.362353590    
    20
Energy=    -1734.24442965100    
H          1.333732418         2.652136598         7.429225377    
H         -1.752152328       -0.3199339761         5.064048804    
H          1.724546681        0.1480629960         7.606521923    
H          3.368525167        0.4567039240         5.473689409    
H          1.580947238        -1.403794039         4.227723829    
H         0.7157887892        0.7503964433         2.671858217    
H          2.305763756         2.536676390         4.091776955    
H         -1.411297834         1.999628826         4.180937815    
H         0.3054763218         3.456566757         5.283047513    
H         0.1502263598        -1.341969198         6.378227914    
C         0.3040340929       -0.3606003174         5.884243975    
C          1.328783324       -0.4115288462         4.611564207    
C          1.287251859        0.6563004689         3.552316232    
C        -0.8320738187         1.606635970         5.022881299    
C        -0.9141642387        0.3164974240         5.364459502    
C         0.8701982363         1.972304188         6.722381809    
C          1.310861949        0.5758527047         6.675704198    
C          2.275601054        0.5891400858         5.407003982    
C         0.2889437897         2.405820838         5.527765184    
C          1.815106752         1.648164285         4.398259964    
    20
Energy=    -1734.04261589000    
H          1.324245017         2.646695976         7.429993500    
H         -1.745607678       -0.3161768568         5.081501701    
H          1.723863278        0.1474421599         7.602184618    
H          3.375758331        0.4485910642         5.474263202    
H          1.582913173        -1.385010352         4.210731725    
H         0.7282589307        0.7569222971         2.666770729    
H          2.332121396         2.527161521         4.076050109    
H         -1.385551616         1.988416338         4.170007462    
H         0.2958710019         3.454933120         5.284230001    
H         0.1545202456        -1.351572142         6.386518807    
C         0.3120908708       -0.3744464218         5.900765644    
C          1.312444579       -0.3985408850         4.628840304    
C          1.192139494        0.7087679273         3.607457483    
C        -0.7855929430         1.602257637         4.952653184    
C        -0.9002995368        0.2970180083         5.383125718    
C         0.8439575504         1.953605683         6.732189762    
C          1.309116529        0.5711935597         6.684920149    
C          2.272768340        0.5907737426         5.394356622    
C         0.3372916461         2.396971020         5.487071102    
C          1.775802118         1.668045080         4.420015131    
    20
Energy=    -1734.01204854800    
H          1.322751712         2.645993499         7.429520143    
H         -1.744810118       -0.3154122014         5.083757443    
H          1.723644124        0.1476657582         7.601298882    
H          3.376041120        0.4475967576         5.474732031    
H          1.582970024        -1.382219189         4.208916213    
H         0.7304027250        0.7577971913         2.664725957    
H          2.336183541         2.528089432         4.073687668    
H         -1.383746334         1.988101775         4.167985125    
H         0.2941496471         3.456016195         5.284506477    
H         0.1551133295        -1.352416444         6.386740063    
C         0.3138529367       -0.3758128072         5.902559267    
C          1.311851338       -0.3986252261         4.632361298    
C          1.172945149        0.7137191302         3.614397080    
C        -0.7775477987         1.596930549         4.942079912    
C        -0.8990360964        0.2950645041         5.385375221    
C         0.8413396030         1.952470116         6.733671004    
C          1.308302686        0.5703667092         6.684546415    
C          2.273733927        0.5888146323         5.393140079    
C         0.3428380381         2.397258486         5.484900442    
C          1.775133303         1.671648550         4.424747370    
    20
Energy=    -1734.00969268100    
H          1.322345112         2.645668009         7.429274052    
H         -1.744406544       -0.3150584039         5.084402469    
H          1.723684474        0.1476335256         7.601231764    
H          3.375872550        0.4474341353         5.474842943    
H          1.582966941        -1.381450379         4.208628658    
H         0.7303673995        0.7580535073         2.663222487    
H          2.337370775         2.528709212         4.073019296    
H         -1.383388938         1.988034851         4.167320397    
H         0.2937956510         3.456604859         5.284471814    
H         0.1552411748        -1.352632113         6.386773760    
C         0.3144228757       -0.3760040765         5.903010623    
C          1.312010119       -0.3986001219         4.632846396    
C          1.167987746        0.7149546923         3.617742654    
C        -0.7748703718         1.594957195         4.938920885    
C        -0.8991739126        0.2947793171         5.386209259    
C         0.8404614379         1.952514159         6.733998029    
C          1.307935570        0.5699976717         6.684177723    
C          2.274179407        0.5882800014         5.392642414    
C         0.3447201112         2.396900860         5.484639045    
C          1.774591572         1.672270018         4.426273845    
    20
Energy=    -1733.73281568600    
H          1.315459044         2.636629364         7.424275801    
H         -1.738808480       -0.3113816138         5.097619507    
H          1.726103706        0.1443127849         7.602474436    
H          3.371486355        0.4457965810         5.475333273    
H          1.583755406        -1.366184911         4.204610630    
H         0.7285270340        0.7630088366         2.644699648    
H          2.353831785         2.528441018         4.063915963    
H         -1.374950850         1.985266810         4.147498577    
H         0.2916342171         3.462326282         5.282510990    
H         0.1582086212        -1.358251129         6.390102686    
C         0.3224222873       -0.3798775559         5.913127544    
C          1.316789204       -0.3926503288         4.631962758    
C          1.055447395        0.7404450008         3.679923420    
C        -0.6978550772         1.544386966         4.871015411    
C        -0.8987234805        0.3067541994         5.414375511    
C         0.8153418234         1.945498769         6.745671376    
C          1.299810328        0.5610712457         6.680959515    
C          2.280761755        0.5840662751         5.379869520    
C         0.3891493351         2.387942908         5.460456145    
C          1.757725419         1.705444406         4.463247645    
    20
Energy=    -1733.53454390300    
H          1.312221795         2.632076474         7.422222459    
H         -1.735736596       -0.3093602246         5.104582817    
H          1.727153080        0.1425744799         7.602731174    
H          3.370215559        0.4449747961         5.475223964    
H          1.584486940        -1.358874052         4.201893022    
H         0.7292075572        0.7653626394         2.641202858    
H          2.361450953         2.526231841         4.059554224    
H         -1.367785177         1.982010501         4.139151237    
H         0.2909772376         3.462950749         5.281438634    
H         0.1597619405        -1.361145315         6.392296168    
C         0.3257710890       -0.3824987472         5.918731489    
C          1.317905284       -0.3887555390         4.632581059    
C         0.9982016085        0.7551530455         3.704196907    
C        -0.6611651261         1.525009994         4.833563655    
C        -0.8974913637        0.3095564525         5.430391348    
C         0.8018939237         1.939390877         6.752191842    
C          1.296466011        0.5566865241         6.681290247    
C          2.282699060        0.5833739802         5.373469015    
C         0.4133998389         2.384156868         5.444393220    
C          1.746483334         1.724170564         4.482545578    
    20
Energy=    -1733.35163176200    
H          1.301012937         2.623057534         7.421101039    
H         -1.731633381       -0.3050142145         5.121675324    
H          1.729187286        0.1388801412         7.602822781    
H          3.364970855        0.4421203313         5.476151362    
H          1.583888223        -1.344212814         4.197140921    
H         0.7296548776        0.7691016211         2.656575298    
H          2.372925797         2.519362751         4.053442316    
H         -1.341857101         1.968521672         4.129335775    
H         0.2914375620         3.461547218         5.279371777    
H         0.1640330467        -1.368255911         6.395310089    
C         0.3272331809       -0.3881168372         5.929379643    
C          1.314638035       -0.3750980069         4.629955936    
C         0.8873510192        0.7947063139         3.740868028    
C        -0.5760713904         1.489612144         4.743528151    
C        -0.8936016258        0.3115132655         5.468103435    
C         0.7783252303         1.925755344         6.757990176    
C          1.292104338        0.5476715866         6.683366042    
C          2.280728417        0.5862363044         5.363984453    
C         0.4441512929         2.383370636         5.418679865    
C          1.737638349         1.752286827         4.504868508    
    20
Energy=    -1733.40981312400    
H          1.290655348         2.614723547         7.420064787    
H         -1.727841788       -0.3009982667         5.137469722    
H          1.731067003        0.1354663728         7.602907431    
H          3.360124466        0.4394826518         5.477008328    
H          1.583334977        -1.330665039         4.192749722    
H         0.7300682258        0.7725566421         2.670780264    
H          2.383529172         2.513015342         4.047794583    
H         -1.317898160         1.956057267         4.120265758    
H         0.2918629267         3.460250280         5.277461889    
H         0.1679797794        -1.374826486         6.398095114    
C         0.3285842327       -0.3933082556         5.939219112    
C          1.311618920       -0.3624777098         4.627530181    
C         0.7849190903        0.8312556693         3.774754124    
C        -0.4974401848         1.456902620         4.660330484    
C        -0.8900072981        0.3133214665         5.502951438    
C         0.7565464852         1.913155375         6.763348149    
C          1.288073916        0.5393412977         6.685284188    
C          2.278907436        0.5888812466         5.355220206    
C         0.4725672964         2.382644116         5.394919337    
C          1.729465105         1.778267771         4.525496100    
    20
Energy=    -1733.41272708100    
H          1.289841831         2.614285691         7.420136252    
H         -1.727769769       -0.3007238197         5.138434542    
H          1.731210073        0.1353069072         7.602894771    
H          3.359834799        0.4393349471         5.476997605    
H          1.583142718        -1.329963943         4.192426294    
H         0.7294601808        0.7728673407         2.672722632    
H          2.383758027         2.512690392         4.047611457    
H         -1.315985748         1.954956019         4.119963638    
H         0.2919467759         3.460041487         5.277329335    
H         0.1682324339        -1.375261437         6.398219712    
C         0.3286761762       -0.3937961998         5.939763647    
C          1.310574471       -0.3614385886         4.627399287    
C         0.7861189225        0.8314062104         3.773285725    
C        -0.4981841735         1.456824098         4.660121968    
C        -0.8894498947        0.3142019522         5.503298942    
C         0.7557844400         1.912636990         6.762822362    
C          1.288120753        0.5390990206         6.685461503    
C          2.278305895        0.5894415556         5.354932130    
C         0.4727132023         2.382832708         5.394791903    
C          1.729785904         1.778304577         4.525037074    
    20
Energy=    -1733.42164850500    
H          1.283476668         2.610649803         7.420281742    
H         -1.726652391       -0.2980942038         5.145784075    
H          1.732470568        0.1343061483         7.603073064    
H          3.356868801        0.4383715785         5.476686139    
H          1.581471997        -1.323889301         4.190628135    
H         0.7250634018        0.7747017818         2.680363608    
H          2.386002423         2.511035274         4.046050987    
H         -1.305824140         1.948997095         4.115718359    
H         0.2924419197         3.459283611         5.276381455    
H         0.1697980575        -1.378825320         6.399168074    
C         0.3292913279       -0.3952944822         5.942248989    
C          1.304879252       -0.3568229635         4.625743362    
C         0.7931127428        0.8331312424         3.770783223    
C        -0.4980189734         1.455728521         4.660834558    
C        -0.8869724554        0.3186305387         5.505655846    
C         0.7510616868         1.909702356         6.760315440    
C          1.288219401        0.5375166027         6.686066986    
C          2.275407150        0.5925610198         5.353571707    
C         0.4729832461         2.382598315         5.392499841    
C          1.731035508         1.778759625         4.521795509    
    20
Energy=    -1733.42757103200    
H          1.275820856         2.606576090         7.420639197    
H         -1.725806459       -0.2946010152         5.154224527    
H          1.734017601        0.1336288567         7.603235981    
H          3.353313259        0.4373517098         5.476091164    
H          1.579664511        -1.317673472         4.188120049    
H         0.7200950086        0.7764676594         2.683172091    
H          2.389214057         2.510075761         4.043831741    
H         -1.297788502         1.944024552         4.108788315    
H         0.2926991007         3.458646266         5.275230808    
H         0.1714527392        -1.381628372         6.399411458    
C         0.3294328441       -0.3972141517         5.943559823    
C          1.302310190       -0.3538308948         4.625934266    
C         0.7956624454        0.8345609231         3.772077714    
C        -0.4945540975         1.454616121         4.661087163    
C        -0.8848530248        0.3211372356         5.509653443    
C         0.7465663278         1.906847874         6.758138280    
C          1.288473598        0.5365499740         6.685948119    
C          2.273378302        0.5939034007         5.353298354    
C         0.4739613209         2.382704530         5.390740486    
C          1.733057055         1.780903502         4.520467645    
    20
Energy=    -1733.44014331600    
H          1.245943880         2.592991553         7.425733235    
H         -1.728391113       -0.2808778710         5.187032029    
H          1.738758489        0.1342452789         7.601265999    
H          3.345128601        0.4319768261         5.474583313    
H          1.575627494        -1.299952007         4.176231418    
H         0.7012106948        0.7821777193         2.691194587    
H          2.405001627         2.510073075         4.034008260    
H         -1.271994840         1.926536368         4.079357862    
H         0.2923089869         3.459617346         5.271337200    
H         0.1768977013        -1.392660915         6.399448521    
C         0.3363014181       -0.4005665966         5.946628645    
C          1.299191500       -0.3479442752         4.628213794    
C         0.7909553842        0.8418881447         3.774432897    
C        -0.4796916870         1.450184646         4.653932694    
C        -0.8780413065        0.3308074353         5.527990951    
C         0.7302536038         1.897804421         6.755167252    
C          1.289816624        0.5279633160         6.684907415    
C          2.268392715        0.5990491010         5.355998405    
C         0.4802535676         2.383893343         5.383121017    
C          1.738195997         1.785842077         4.523064748    
    20
Energy=    -1733.44905577300    
H          1.214586449         2.581450781         7.436520573    
H         -1.733022131       -0.2642772970         5.224848656    
H          1.744899821        0.1343641126         7.601332840    
H          3.339110641        0.4262484562         5.473750718    
H          1.574329513        -1.287118020         4.162250441    
H         0.6811372871        0.7875807626         2.693724964    
H          2.417281864         2.504223072         4.029250193    
H         -1.249177169         1.909399392         4.046445636    
H         0.2920716389         3.460833180         5.267680544    
H         0.1833577175        -1.398711421         6.396204949    
C         0.3404847873       -0.4133811482         5.948323251    
C          1.296027027       -0.3400814122         4.628306868    
C         0.7830167965        0.8467603476         3.785583254    
C        -0.4637444443         1.445548514         4.642192386    
C        -0.8718403911        0.3413799189         5.547685794    
C         0.7111093236         1.883177964         6.750605207    
C          1.293430254        0.5283377357         6.682148299    
C          2.267381672        0.6002758496         5.360603407    
C         0.4875184746         2.386889943         5.375948891    
C          1.748162609         1.800150770         4.520242475    
    20
Energy=    -1733.45664361500    
H          1.211428932         2.581005384         7.439040929    
H         -1.735534836       -0.2617446312         5.228874068    
H          1.744993098        0.1355090907         7.601107888    
H          3.342177473        0.4254176710         5.474490645    
H          1.576018905        -1.289189020         4.161194273    
H         0.6808885596        0.7869445091         2.692612537    
H          2.418897849         2.504781770         4.029686885    
H         -1.252214542         1.910217729         4.044211355    
H         0.2918725990         3.461904302         5.268228696    
H         0.1833051750        -1.399268519         6.395583734    
C         0.3415285339       -0.4105259756         5.945057768    
C          1.298579711       -0.3435973343         4.627383694    
C         0.7805456142        0.8468777440         3.785595229    
C        -0.4623031381         1.445991969         4.640215128    
C        -0.8720839839        0.3411279766         5.548875292    
C         0.7100853667         1.885189062         6.752447431    
C          1.295321700        0.5269019355         6.681328583    
C          2.268883352        0.6000839278         5.360370282    
C         0.4878118163         2.387371154         5.374689569    
C          1.745919474         1.798053414         4.522655289    
    20
Energy=    -1733.46645054200    
H          1.196271736         2.577969287         7.448508865    
H         -1.743433755       -0.2515909009         5.247845048    
H          1.746643318        0.1378933073         7.600850341    
H          3.348149094        0.4225888595         5.476045503    
H          1.580307233        -1.292426080         4.155344355    
H         0.6764782553        0.7865892184         2.692344372    
H          2.423965319         2.503302325         4.031030932    
H         -1.253376991         1.907753148         4.033575848    
H         0.2916347000         3.464637907         5.268741743    
H         0.1848606112        -1.399999256         6.392319429    
C         0.3456506678       -0.4096432561         5.939339889    
C          1.302916118       -0.3481937099         4.625105595    
C         0.7754473777        0.8466356416         3.785073439    
C        -0.4593459031         1.446650849         4.632917279    
C        -0.8705557061        0.3451466730         5.554870286    
C         0.7032036580         1.885092779         6.754068650    
C          1.300083301        0.5250980233         6.677717824    
C          2.272683798        0.5991143339         5.360444535    
C         0.4898936141         2.389309189         5.371270461    
C          1.744645607         1.797125746         4.526235498    
    20
Energy=    -1733.48524371600    
H          1.152992989         2.568141765         7.471794175    
H         -1.761957211       -0.2239481518         5.300429496    
H          1.751091681        0.1428556448         7.599130776    
H          3.358386589        0.4161711412         5.478660267    
H          1.589049325        -1.295239832         4.140111276    
H         0.6634449276        0.7868445121         2.693237951    
H          2.436400035         2.497559715         4.033723754    
H         -1.249123936         1.897942106         4.006554032    
H         0.2919835955         3.470367862         5.268825500    
H         0.1898632732        -1.402617609         6.383982816    
C         0.3567706904       -0.4109123848         5.928744118    
C          1.309142679       -0.3545350983         4.618943117    
C         0.7704726792        0.8460798674         3.784977025    
C        -0.4527793948         1.447579476         4.618382280    
C        -0.8645137014        0.3591331309         5.570253413    
C         0.6837865500         1.878815097         6.753653717    
C          1.310838041        0.5212741852         6.669585825    
C          2.279906348        0.5973495499         5.360543969    
C         0.4944205088         2.393263308         5.362140377    
C          1.745947886         1.796934674         4.529974610    
    20
Energy=    -1733.52094509500    
H          1.062306615         2.545887348         7.515481176    
H         -1.795900292       -0.1662931896         5.406687342    
H          1.760080156        0.1514906395         7.595289399    
H          3.374747516        0.4048745451         5.482421652    
H          1.604390633        -1.297162456         4.110693038    
H         0.6386492213        0.7876915667         2.695387776    
H          2.460370859         2.485646832         4.038257270    
H         -1.237225387         1.877604634         3.956053199    
H         0.2938659672         3.480201658         5.268183928    
H         0.2002359720        -1.407627001         6.367203673    
C         0.3775285210       -0.4158073658         5.909483438    
C          1.318766927       -0.3642087365         4.607435786    
C         0.7669267507        0.8446226746         3.783608414    
C        -0.4407819052         1.449223889         4.593530721    
C        -0.8514472146        0.3877908607         5.600959717    
C         0.6454250352         1.862981052         6.750020505    
C          1.330961154        0.5149498079         6.653608356    
C          2.292614835        0.5939675026         5.360832009    
C         0.5030020397         2.400096309         5.344621766    
C          1.751609007         1.797136869         4.533886542    
    20
Energy=    -1733.56013247500    
H         0.9699378488         2.522274202         7.557517688    
H         -1.827736048       -0.1074797932         5.514005234    
H          1.769023693        0.1597798958         7.591011062    
H          3.389722197        0.3942412308         5.485619416    
H          1.619020639        -1.297764252         4.081755139    
H         0.6148768729        0.7885597323         2.697365449    
H          2.484017788         2.473765511         4.042442693    
H         -1.224293446         1.857208797         3.906804098    
H         0.2963294178         3.489359383         5.267240951    
H         0.2107034666        -1.412728829         6.350384500    
C         0.3975272593       -0.4212936892         5.890894631    
C          1.327427407       -0.3727451192         4.596157835    
C         0.7658125019        0.8429980494         3.781828544    
C        -0.4296886095         1.450536275         4.570350854    
C        -0.8380865519        0.4171077349         5.631864424    
C         0.6068532298         1.845703486         6.744887838    
C          1.350516487        0.5087812312         6.638322697    
C          2.304359414        0.5907357639         5.360945098    
C         0.5116131768         2.406617724         5.327696000    
C          1.758192807         1.797418535         4.536549009    
    20
Energy=    -1733.59484607500    
H         0.8761308814         2.497642240         7.597932104    
H         -1.857493987       -0.4738389032E-01     5.621580631    
H          1.778044159        0.1678652444         7.586555588    
H          3.403950735        0.3839512131         5.488548415    
H          1.633355369        -1.297643186         4.053144503    
H         0.5918258790        0.7893903250         2.699312532    
H          2.507443773         2.461860955         4.046479721    
H         -1.210744835         1.836606747         3.858381669    
H         0.2991136434         3.498137847         5.266159649    
H         0.2212454125        -1.417928728         6.333523237    
C         0.4167927119       -0.4271097649         5.872840111    
C          1.335675586       -0.3807296438         4.584922317    
C         0.7661333287        0.8412488961         3.779677745    
C        -0.4194092296         1.451703878         4.548187299    
C        -0.8246818751        0.4467948033         5.663099019    
C         0.5681759187         1.827598149         6.739072340    
C          1.369564767        0.5028443185         6.623622969    
C          2.315700596        0.5875253765         5.360840830    
C         0.5201318225         2.413018110         5.311242279    
C          1.765177911         1.797691380         4.538517407    
    20
Energy=    -1733.63960880100    
H         0.7810359038         2.470245959         7.636856882    
H         -1.882460846        0.1623148370E-01     5.730070531    
H          1.787281101        0.1759017894         7.581491290    
H          3.418462901        0.3743846468         5.491204331    
H          1.648133281        -1.298323166         4.025130633    
H         0.5700051611        0.7897069576         2.701028400    
H          2.528995466         2.448855206         4.051828215    
H         -1.197339952         1.815883698         3.814921809    
H         0.3027910026         3.506763683         5.264856496    
H         0.2319681072        -1.421943482         6.315307377    
C         0.4341079179       -0.4339569741         5.856653960    
C          1.344051213       -0.3875711663         4.572184139    
C         0.7706769597        0.8379415294         3.775329650    
C        -0.4142818588         1.453651252         4.528287814    
C        -0.8109626196        0.4786830292         5.693885420    
C         0.5289017765         1.807169825         6.730679698    
C          1.386868547        0.4987674130         6.610287253    
C          2.327680982        0.5833912616         5.358810315    
C         0.5271016675         2.419725495         5.296833503    
C          1.773119167         1.797583780         4.537989782    
    20
Energy=    -1733.75069677000    
H         0.6809230492         2.434830297         7.669435328    
H         -1.898831718        0.8284971378E-01     5.837900902    
H          1.796835760        0.1833677830         7.575439110    
H          3.431981692        0.3685921531         5.492169195    
H          1.663496071        -1.300972647         4.003245112    
H         0.5534676188        0.7883800737         2.699335005    
H          2.543770828         2.432814515         4.060917082    
H         -1.188586814         1.798046072         3.781994679    
H         0.3098433697         3.515221129         5.263279091    
H         0.2424848414        -1.422200082         6.293867366    
C         0.4491115540       -0.4415139248         5.845024945    
C          1.350518846       -0.3898423464         4.556927789    
C         0.7844818417        0.8328000104         3.770644486    
C        -0.4128187317         1.455363791         4.518379511    
C        -0.7932428839        0.5184560393         5.723306005    
C         0.4903161608         1.778905353         6.716165382    
C          1.398770336        0.5004431699         6.596837798    
C          2.340129692        0.5769293608         5.354010384    
C         0.5293808617         2.424050029         5.285272680    
C          1.784108764         1.796577115         4.529482982    
    20
Energy=    -1733.92612832600    
H         0.5764933252         2.389900539         7.690311169    
H         -1.901269686        0.1559305502         5.941412988    
H          1.805441072        0.1908512655         7.566110169    
H          3.443063582        0.3666471911         5.491030037    
H          1.677472095        -1.302748160         3.987505055    
H         0.5447897406        0.7856487688         2.697139287    
H          2.556753125         2.418834911         4.068757830    
H         -1.180991474         1.782011429         3.763743032    
H         0.3201563979         3.521017781         5.261647373    
H         0.2517628727        -1.422691600         6.272029090    
C         0.4611229460       -0.4451763373         5.834159998    
C          1.356078197       -0.3914253746         4.542871572    
C         0.8005863131        0.8282162823         3.762054838    
C        -0.4150271375         1.456543051         4.510538170    
C        -0.7743713865        0.5607280486         5.756147160    
C         0.4503619189         1.744946238         6.696405837    
C          1.409297246        0.5023307928         6.587838350    
C          2.349478863        0.5717131152         5.347132699    
C         0.5331227246         2.427984324         5.276002892    
C          1.791826380         1.791838485         4.520794320    
    20
Energy=    -1734.22870320800    
H         0.4719363815         2.332608658         7.685344880    
H         -1.879021185        0.2325213537         6.031149808    
H          1.814331011        0.1947196809         7.558363780    
H          3.444800105        0.3739443245         5.484433363    
H          1.687312529        -1.304210703         3.983197000    
H         0.5534035356        0.7810605870         2.688223402    
H          2.560339239         2.405325852         4.076691130    
H         -1.180646249         1.772813507         3.771399975    
H         0.3366040015         3.522415805         5.260051609    
H         0.2581263400        -1.419407238         6.250183728    
C         0.4659038320       -0.4533574848         5.831896676    
C          1.355475628       -0.3854147506         4.533049958    
C         0.8184925094        0.8228917984         3.755309224    
C        -0.4177211609         1.455080598         4.515042292    
C        -0.7483135335        0.6087115982         5.787649678    
C         0.4107600982         1.701196174         6.667666451    
C          1.411915891        0.5090816090         6.576452568    
C          2.353657014        0.5665490285         5.341831185    
C         0.5364411316         2.425114473         5.270660406    
C          1.802355849         1.791456172         4.505032004    
    20
Energy=    -1734.53435699200    
H         0.3663988738         2.272890556         7.670008242    
H         -1.845501095        0.3127757628         6.116964604    
H          1.821918313        0.1989373947         7.547427432    
H          3.443389390        0.3827761210         5.476453028    
H          1.693534926        -1.301025065         3.981952252    
H         0.5681294518        0.7764226056         2.679575359    
H          2.569650660         2.399006563         4.078327270    
H         -1.180282090         1.764420052         3.785323531    
H         0.3545558477         3.520009230         5.258574857    
H         0.2617099966        -1.424067890         6.233023653    
C         0.4688243388       -0.4550376780         5.826135521    
C          1.354905408       -0.3835788494         4.526591579    
C         0.8331786023        0.8198854980         3.745660624    
C        -0.4203261572         1.453329763         4.517600242    
C        -0.7232961199        0.6500081961         5.821161726    
C         0.3707054679         1.659354882         6.638214247    
C          1.416939856        0.5095888827         6.574263587    
C          2.352620026        0.5658207174         5.335411982    
C         0.5437625144         2.425199545         5.264981103    
C          1.805340804         1.786385600         4.495976427    
    20
Energy=    -1734.82273141100    
H         0.3388100045         2.226147250         7.589395043    
H         -1.755000521        0.3483039141         6.095596371    
H          1.823072155        0.1902357643         7.544992945    
H          3.414730676        0.4089549961         5.459852216    
H          1.678207344        -1.291068007         4.014103208    
H         0.6227743466        0.7714321079         2.664859635    
H          2.548745331         2.403637224         4.073630142    
H         -1.193391664         1.778512765         3.860445092    
H         0.3759172215         3.504860700         5.257394484    
H         0.2524623717        -1.423829297         6.231336908    
C         0.4426441258       -0.4709549567         5.849343688    
C          1.338779483       -0.3648541019         4.538398390    
C         0.8502290926        0.8164807023         3.736970201    
C        -0.4397450406         1.449350474         4.545905728    
C        -0.7203745321        0.6420476455         5.808826905    
C         0.3872379507         1.644235199         6.619918733    
C          1.396699800        0.5189765239         6.588980324    
C          2.332166820        0.5703686189         5.333752677    
C         0.5473082768         2.414811412         5.281862545    
C          1.814886691         1.795446699         4.478062287    
    20
Energy=    -1735.12545846300    
H         0.2311810885         2.161380367         7.562673843    
H         -1.714083396        0.4291763447         6.176492899    
H          1.833190519        0.1931951286         7.539519831    
H          3.410240642        0.4190421900         5.450201070    
H          1.680038177        -1.284014007         4.017772244    
H         0.6449247433        0.7667577265         2.652755238    
H          2.562727800         2.406675815         4.067214331    
H         -1.202982444         1.775056333         3.873632572    
H         0.3956044904         3.503943921         5.256829497    
H         0.2516267924        -1.441262157         6.218740585    
C         0.4429090577       -0.4629463172         5.841828038    
C          1.339167850       -0.3670902889         4.538095134    
C         0.8515340448        0.8200168944         3.730754053    
C        -0.4268018525         1.445942405         4.546512447    
C        -0.6882923726        0.6707590923         5.837564356    
C         0.3526630052         1.613492551         6.596528260    
C          1.401317675        0.5098983369         6.584388426    
C          2.325214080        0.5747012686         5.330022421    
C         0.5585379588         2.410754949         5.272040705    
C          1.807446836         1.787615595         4.480058809    
    20
Energy=    -1735.38383926500    
H         0.1728428973         2.123331499         7.525300382    
H         -1.674457988        0.4717108171         6.202614229    
H          1.840858064        0.1932370696         7.540417841    
H          3.397269448        0.4297850038         5.440090677    
H          1.670802904        -1.274973106         4.032922613    
H         0.6777632847        0.7643643373         2.640344109    
H          2.566872837         2.421207944         4.050357105    
H         -1.221794801         1.781834515         3.896226220    
H         0.4125724952         3.496838185         5.258080843    
H         0.2416727770        -1.463432172         6.219140177    
C         0.4334096478       -0.4628448777         5.838337407    
C          1.335715979       -0.3720974405         4.552263479    
C         0.8163679725        0.8303368576         3.733967910    
C        -0.4029730889         1.443215756         4.523321001    
C        -0.6543443368        0.6590425070         5.841651156    
C         0.3519212385         1.611545205         6.583997008    
C          1.410470585        0.4853119816         6.596030380    
C          2.311415588        0.5868317735         5.335203940    
C         0.5752450017         2.415855099         5.264117390    
C          1.794536600         1.791994869         4.499238788    
    20
Energy=    -1735.43905020600    
H         0.1561378317         2.119168286         7.513558248    
H         -1.657421548        0.4774957789         6.196144862    
H          1.850136006        0.1891269691         7.554630177    
H          3.389251516        0.4357109911         5.434261282    
H          1.663202051        -1.273917762         4.042760313    
H         0.6994674376        0.7646815007         2.637801522    
H          2.560774936         2.430494934         4.039850507    
H         -1.237970064         1.789869221         3.909639751    
H         0.4209052601         3.499988559         5.259778342    
H         0.2300023304        -1.476770143         6.223884285    
C         0.4355509000       -0.4726955451         5.843357067    
C          1.328877481       -0.3668761282         4.564265347    
C         0.7968321199        0.8359498606         3.735853073    
C        -0.3914499160         1.445700128         4.512076364    
C        -0.6356056567        0.6500306180         5.830837197    
C         0.3640291879         1.609776473         6.571086323    
C          1.409255999        0.4742864014         6.593843071    
C          2.303880427        0.5911156376         5.340759879    
C         0.5796711884         2.412607445         5.262471642    
C          1.790639720         1.797351935         4.506763268    
    20
Energy=    -1735.47046799700    
H         0.1529693830         2.122813253         7.505983772    
H         -1.648087536        0.4718897083         6.179482747    
H          1.855570147        0.1879004659         7.562306412    
H          3.384349287        0.4390491099         5.430317507    
H          1.655196711        -1.271829791         4.051874733    
H         0.7167039389        0.7656890442         2.639114633    
H          2.550437498         2.437651724         4.032496906    
H         -1.250361244         1.796857543         3.921715091    
H         0.4275643143         3.502521743         5.262484195    
H         0.2170843344        -1.487590361         6.229552556    
C         0.4405049609       -0.4851811960         5.848195739    
C          1.324628220       -0.3672698595         4.568180534    
C         0.7938492893        0.8385649684         3.734846655    
C        -0.3960502625         1.453222378         4.504049795    
C        -0.6270910210        0.6447622903         5.819566431    
C         0.3706588171         1.609929248         6.569215655    
C          1.416661680        0.4637998195         6.605851358    
C          2.301400834        0.5930930425         5.341632256    
C         0.5792237819         2.417857756         5.260331637    
C          1.790953382         1.799362998         4.506423402    
    20
Energy=    -1735.49321776400    
H         0.1376337650         2.124467789         7.500625879    
H         -1.640022353        0.4693300486         6.166541885    
H          1.868207585        0.1867430265         7.576592749    
H          3.384284755        0.4407711920         5.424750759    
H          1.647977960        -1.273866086         4.057654980    
H         0.7379722086        0.7668780810         2.638355172    
H          2.535611907         2.443794779         4.025208299    
H         -1.270117412         1.805357833         3.931190594    
H         0.4382312737         3.511391080         5.267377975    
H         0.1995103528        -1.499089367         6.232092332    
C         0.4464800484       -0.4990727415         5.853738383    
C          1.322653213       -0.3662604905         4.570061220    
C         0.8005396000        0.8404502504         3.735173465    
C        -0.4012222023         1.460575209         4.500121926    
C        -0.6175148127        0.6464338110         5.813217748    
C         0.3701492329         1.601338868         6.568969764    
C          1.423624812        0.4598882375         6.612630969    
C          2.302129188        0.5909504309         5.340805506    
C         0.5793130466         2.422305526         5.256820944    
C          1.790724733         1.800705028         4.501690668    
    20
Energy=    -1735.50285409700    
H         0.1302998874         2.128676499         7.502702042    
H         -1.642067770        0.4611993752         6.154374650    
H          1.878320338        0.1891775693         7.582157724    
H          3.391215088        0.4376049759         5.421113367    
H          1.645433417        -1.279543541         4.055651109    
H         0.7512775168        0.7683085742         2.639743980    
H          2.526533261         2.448469147         4.019443730    
H         -1.279549470         1.808665756         3.934817050    
H         0.4460171010         3.519851304         5.272587114    
H         0.1863983876        -1.502522182         6.230753107    
C         0.4481395501       -0.4973579233         5.854758391    
C          1.325328074       -0.3686719862         4.569969128    
C         0.8053389880        0.8410191445         3.732804364    
C        -0.4064895351         1.462520560         4.499518740    
C        -0.6213814961        0.6439999174         5.810286299    
C         0.3715499295         1.601417734         6.570335205    
C          1.427565628        0.4605316467         6.619973895    
C          2.306268460        0.5893736511         5.339174481    
C         0.5786109688         2.423063344         5.260930714    
C          1.787359372         1.797307869         4.502525539    
    20
Energy=    -1735.51058651200    
H         0.1230620690         2.129935562         7.503805035    
H         -1.649888122        0.4530721402         6.146699866    
H          1.887843596        0.1932842147         7.584409428    
H          3.398846052        0.4332871383         5.417515274    
H          1.644322677        -1.285120346         4.051575802    
H         0.7624192512        0.7697448500         2.637608265    
H          2.517382475         2.450016883         4.016203571    
H         -1.284670475         1.809668961         3.936450744    
H         0.4540796200         3.522991488         5.278424514    
H         0.1766673722        -1.497812007         6.225224308    
C         0.4462573670       -0.4964461745         5.855907624    
C          1.329153439       -0.3722881412         4.568257014    
C         0.8060653788        0.8405589118         3.736227736    
C        -0.4083953921         1.461909892         4.499069554    
C        -0.6212899328        0.6443806524         5.810045066    
C         0.3669022463         1.602878627         6.576682161    
C          1.430286029        0.4626888408         6.622025470    
C          2.312213679        0.5871412784         5.339773406    
C         0.5775775174         2.426213461         5.264350045    
C          1.787333214         1.796984813         4.503365296    
    20
Energy=    -1735.51450451900    
H         0.1190987702         2.130795872         7.507292802    
H         -1.654249273        0.4477630952         6.141954441    
H          1.892225880        0.1974759740         7.581787935    
H          3.403046933        0.4300698096         5.415616227    
H          1.644209257        -1.287651034         4.048124835    
H         0.7681962690        0.7712050163         2.638067190    
H          2.513222261         2.450339696         4.014676159    
H         -1.283111627         1.807814948         3.937029915    
H         0.4587270602         3.521991422         5.282605035    
H         0.1720653843        -1.491350617         6.220311929    
C         0.4467016290       -0.4930657294         5.854411593    
C          1.330006326       -0.3735224628         4.569184540    
C         0.8047322828        0.8392592770         3.736931917    
C        -0.4068970802         1.462058381         4.500007060    
C        -0.6241415211        0.6452481309         5.813263047    
C         0.3632169729         1.602413637         6.576917876    
C          1.430423280        0.4635526223         6.620853617    
C          2.314581673        0.5862238668         5.341165548    
C         0.5771055519         2.425777784         5.266252793    
C          1.787008470         1.796690952         4.507165533    
    20
Energy=    -1735.51663127500    
H         0.1149951763         2.128531327         7.507519883    
H         -1.655807168        0.4436432288         6.137330538    
H          1.895092923        0.2023185022         7.577308386    
H          3.403359437        0.4277944756         5.413940163    
H          1.642522120        -1.285883470         4.047601014    
H         0.7745475600        0.7730348950         2.639497877    
H          2.509876074         2.450874100         4.013477006    
H         -1.279789679         1.805259938         3.938401952    
H         0.4632179958         3.519629937         5.287274709    
H         0.1674574465        -1.486481106         6.216098513    
C         0.4470023259       -0.4889338976         5.852552032    
C          1.329589100       -0.3743207790         4.569144237    
C         0.8055400491        0.8392626868         3.739260897    
C        -0.4054437842         1.462641894         4.501901362    
C        -0.6248287164        0.6452775927         5.813135901    
C         0.3601373148         1.602971648         6.579839614    
C          1.429514754        0.4637387426         6.619561317    
C          2.315157187        0.5861462228         5.341658574    
C         0.5779373478         2.422287765         5.267675803    
C          1.786090796         1.795295782         4.510439120    
    20
Energy=    -1735.51778600000    
H         0.1120594070         2.126836789         7.508664623    
H         -1.655139495        0.4415333702         6.134389664    
H          1.896193402        0.2050281566         7.574493877    
H          3.401607915        0.4269041658         5.413352094    
H          1.641111541        -1.284192407         4.047889791    
H         0.7783882677        0.7745697426         2.641641785    
H          2.507820248         2.450587522         4.013865963    
H         -1.277454492         1.803811342         3.938900900    
H         0.4658004259         3.516180834         5.290199736    
H         0.1651366706        -1.483702908         6.213721625    
C         0.4459829137       -0.4883111164         5.851794610    
C          1.328634296       -0.3720410238         4.569614732    
C         0.8066573702        0.8397981700         3.739792733    
C        -0.4037861480         1.461820290         4.503276774    
C        -0.6250711849        0.6450486807         5.811643922    
C         0.3604717585         1.601280372         6.578994406    
C          1.427944240        0.4648934498         6.618620224    
C          2.314155671        0.5859944661         5.341497928    
C         0.5784352050         2.422035555         5.270310325    
C          1.787219475         1.795013696         4.510952278    
    20
Energy=    -1735.51820196700    
H         0.1115166946         2.125333744         7.508294631    
H         -1.653908885        0.4417517891         6.133957946    
H          1.895852668        0.2050955763         7.574552020    
H          3.399911842        0.4270842476         5.413749721    
H          1.640435844        -1.283048420         4.048698507    
H         0.7788471506        0.7750694819         2.642033809    
H          2.508580362         2.450911225         4.014295818    
H         -1.277058896         1.803844846         3.938772722    
H         0.4657392036         3.515972255         5.290864059    
H         0.1649181068        -1.484852238         6.213970962    
C         0.4454200352       -0.4889699419         5.851540195    
C          1.328268528       -0.3711273619         4.569705388    
C         0.8070793003        0.8409557997         3.740008216    
C        -0.4031077079         1.461841719         4.502445207    
C        -0.6244082223        0.6446173007         5.810780339    
C         0.3607564591         1.600758706         6.578819170    
C          1.427748477        0.4647741291         6.618404154    
C          2.312956835        0.5862881312         5.341248788    
C         0.5793538488         2.421367824         5.270671837    
C          1.787265627         1.795420336         4.510804577    
    20
Energy=    -1735.51866471400    
H         0.1098265321         2.121693413         7.507992545    
H         -1.652665038        0.4415185081         6.132435050    
H          1.895658097        0.2055577795         7.574735582    
H          3.397060477        0.4268592889         5.414649624    
H          1.639177982        -1.281337905         4.049538453    
H         0.7804491361        0.7765441188         2.642356328    
H          2.510289376         2.452020042         4.015347820    
H         -1.276333993         1.804158022         3.938023025    
H         0.4660941825         3.515593110         5.293069910    
H         0.1638569309        -1.487139731         6.213795465    
C         0.4447719990       -0.4903364510         5.851051146    
C          1.327483022       -0.3701745653         4.569610888    
C         0.8080087537        0.8428792092         3.739436759    
C        -0.4021158742         1.462608611         4.501220898    
C        -0.6231918501        0.6440674065         5.809169587    
C         0.3602166760         1.599519983         6.578708772    
C          1.427592169        0.4635642807         6.618799082    
C          2.311690804        0.5868817106         5.341239465    
C         0.5801876481         2.421847741         5.271229079    
C          1.788109239         1.796764512         4.511208364    
    20
Energy=    -1735.51906323100    
H         0.1064418058         2.116353325         7.508760857    
H         -1.651580902        0.4407315303         6.129452927    
H          1.896247395        0.2062033121         7.575738154    
H          3.395056873        0.4257792125         5.416005849    
H          1.637896578        -1.280217487         4.049419006    
H         0.7833396414        0.7790057311         2.641315054    
H          2.512927315         2.454118692         4.017097074    
H         -1.275354180         1.804849543         3.936539182    
H         0.4668626091         3.516723790         5.296931235    
H         0.1619614561        -1.489442595         6.212361480    
C         0.4444051927       -0.4922604364         5.850386315    
C          1.326649231       -0.3684573544         4.569532414    
C         0.8095322307        0.8452945926         3.739797341    
C        -0.4006122783         1.464326087         4.500121500    
C        -0.6229239129        0.6434098420         5.807302230    
C         0.3594718685         1.597277873         6.577688452    
C          1.426520191        0.4621418231         6.618451964    
C          2.309535005        0.5873162593         5.341857461    
C         0.5807159431         2.421386431         5.272284995    
C          1.789071662         1.798548717         4.512573547    
    20
Energy=    -1735.51952302600    
H         0.1043532137         2.113217758         7.509347648    
H         -1.652126808        0.4400245451         6.127643527    
H          1.896582679        0.2065806506         7.576102341    
H          3.394796992        0.4248140211         5.416838884    
H          1.637548840        -1.280043187         4.048657828    
H         0.7850580702        0.7805167626         2.640754121    
H          2.514098469         2.455239658         4.018619922    
H         -1.274790030         1.805539550         3.935481800    
H         0.4673825881         3.517500490         5.299249720    
H         0.1609000431        -1.490277973         6.210878528    
C         0.4439500820       -0.4929811233         5.849857666    
C          1.326785541       -0.3684484249         4.569016851    
C         0.8103126998        0.8463654684         3.739176501    
C        -0.4005382555         1.465165243         4.499705847    
C        -0.6231333000        0.6429414280         5.806162651    
C         0.3586783126         1.596333592         6.577859793    
C          1.426121269        0.4613218989         6.619158840    
C          2.309705359        0.5871275051         5.342495606    
C         0.5805388675         2.422485556         5.273190991    
C          1.789937808         1.799665135         4.513417784    
    20
Energy=    -1735.52035839300    
H         0.9753632111E-01     2.103848412         7.511877156    
H         -1.654988984        0.4378048022         6.122090878    
H          1.897286941        0.2073128594         7.577348852    
H          3.395584418        0.4214781895         5.419678839    
H          1.637307580        -1.280161421         4.045323129    
H         0.7900677887        0.7852543930         2.639040046    
H          2.517466084         2.458769241         4.024146305    
H         -1.273271519         1.808269154         3.931900032    
H         0.4687620903         3.520404126         5.306217197    
H         0.1578777275        -1.492448568         6.205407484    
C         0.4429846063       -0.4938743656         5.847375688    
C          1.327759675       -0.3681619985         4.567398911    
C         0.8129119884        0.8495061428         3.737890691    
C        -0.3998707367         1.467406765         4.498766140    
C        -0.6240927579        0.6417776976         5.802734796    
C         0.3558223428         1.593396774         6.578390372    
C          1.424780573        0.4589794677         6.620672758    
C          2.310572501        0.5862473813         5.344419938    
C         0.5799374740         2.425434667         5.276154843    
C          1.791725314         1.801843484         4.516780361    
    20
Energy=    -1735.52073176500    
H         0.9167791171E-01     2.096513259         7.514225835    
H         -1.656494377        0.4365988363         6.117510931    
H          1.896354188        0.2069071178         7.578029654    
H          3.396227872        0.4190398845         5.422470736    
H          1.637662239        -1.279071139         4.042840506    
H         0.7935041719        0.7891922534         2.638846840    
H          2.518830032         2.460592981         4.030617801    
H         -1.270980633         1.810819092         3.929537419    
H         0.4693780446         3.522276503         5.311012336    
H         0.1565057698        -1.492948885         6.199615987    
C         0.4420628881       -0.4956097275         5.844850578    
C          1.329285027       -0.3678248793         4.565167095    
C         0.8152612708        0.8521253288         3.737959638    
C        -0.3996195233         1.469570082         4.496620512    
C        -0.6260751504        0.6409448198         5.800119121    
C         0.3535089303         1.591343311         6.579132287    
C          1.423817409        0.4576107744         6.620788285    
C          2.311504237        0.5853993898         5.345874830    
C         0.5800688144         2.425879822         5.279096869    
C          1.793678374         1.803727439         4.519296320    
    20
Energy=    -1735.52127112500    
H         0.8915083451E-01     2.093822922         7.515430805    
H         -1.657495339        0.4362519174         6.115849056    
H          1.895326523        0.2062522427         7.578097774    
H          3.396808645        0.4181219913         5.423852611    
H          1.638337025        -1.278663886         4.041482435    
H         0.7946550768        0.7908277201         2.639179643    
H          2.519469625         2.461563146         4.033615381    
H         -1.270176077         1.812337689         3.928331796    
H         0.4694855889         3.522356343         5.312551538    
H         0.1562186065        -1.493404644         6.196866225    
C         0.4420275913       -0.4951816049         5.843116213    
C          1.329870224       -0.3670708706         4.564606500    
C         0.8163222233        0.8532094864         3.738109747    
C        -0.3987399023         1.470077948         4.496437402    
C        -0.6263711809        0.6407622211         5.798779561    
C         0.3524860508         1.590202811         6.579183097    
C          1.423140259        0.4569424422         6.620469033    
C          2.311842246        0.5850478953         5.346326004    
C         0.5800150757         2.426125249         5.280247518    
C          1.793783678         1.803504988         4.521081153    
    20
Energy=    -1735.52221381400    
H         0.8197880316E-01     2.086420237         7.518407886    
H         -1.659773220        0.4357705979         6.111232101    
H          1.890814296        0.2031765684         7.577667884    
H          3.398245530        0.4159977848         5.428229573    
H          1.640909904        -1.276339777         4.037842940    
H         0.7974392990        0.7955213046         2.640834678    
H          2.520678641         2.464024789         4.043227232    
H         -1.266844679         1.817084380         3.925335437    
H         0.4694393047         3.521529875         5.315923141    
H         0.1563074113        -1.494303669         6.187928084    
C         0.4418965585       -0.4941139566         5.837653041    
C          1.331877314       -0.3650023941         4.562548290    
C         0.8193918606        0.8563891922         3.739254655    
C        -0.3965115986         1.471818172         4.495546402    
C        -0.6272970837        0.6402266349         5.794876283    
C         0.3493328029         1.587374614         6.580026138    
C          1.421036999        0.4548698682         6.619197511    
C          2.312805929        0.5841530932         5.347821675    
C         0.5800836001         2.425472791         5.283618629    
C          1.794343862         1.803014937         4.526442120    
    20
Energy=    -1735.52274167100    
H         0.7785646592E-01     2.082441307         7.519646221    
H         -1.660361760        0.4357051248         6.108445831    
H          1.887093320        0.1998205353         7.577166002    
H          3.398389483        0.4154542442         5.431169747    
H          1.643048328        -1.274252807         4.035832881    
H         0.7990492247        0.7984481946         2.641787904    
H          2.521613276         2.465959302         4.048855092    
H         -1.264097837         1.820392776         3.923772216    
H         0.4693348047         3.519881585         5.317130500    
H         0.1568485418        -1.495087589         6.181765605    
C         0.4415636700       -0.4942513892         5.834535424    
C          1.332969342       -0.3637236134         4.561402485    
C         0.8210457494        0.8583837854         3.739472254    
C        -0.3953879642         1.473005703         4.495484393    
C        -0.6278923305        0.6397456958         5.792694460    
C         0.3475575936         1.585389611         6.580439132    
C          1.419049232        0.4531428258         6.618969483    
C          2.313336639        0.5838256547         5.349529086    
C         0.5797860596         2.425081375         5.285723495    
C          1.795352713         1.803722809         4.529791759    
    20
Energy=    -1735.52350937400    
H         0.6631682581E-01     2.070931849         7.521680613    
H         -1.661937376        0.4351514503         6.100420257    
H          1.875947049        0.1874068765         7.577186045    
H          3.398565900        0.4147440570         5.440420864    
H          1.649862652        -1.267523407         4.030489132    
H         0.8041874449        0.8072522173         2.642171200    
H          2.525727351         2.473256969         4.063959405    
H         -1.255341138         1.830581528         3.919710037    
H         0.4685758498         3.517200479         5.320505310    
H         0.1579257062        -1.499690690         6.163431398    
C         0.4400716447       -0.4954027333         5.825671608    
C          1.336457963       -0.3595631823         4.558037498    
C         0.8264762857        0.8652164941         3.742093548    
C        -0.3924242311         1.476886866         4.494225793    
C        -0.6293059695        0.6376255162         5.786492723    
C         0.3419098442         1.580128320         6.582924476    
C          1.412762648        0.4471381719         6.618459860    
C          2.312318019        0.5839071265         5.355138215    
C         0.5799463171         2.421011586         5.291580053    
C          1.798111355         1.806826634         4.539018462    
    20
Energy=    -1735.52450644600    
H         0.6356773331E-01     2.069169266         7.521858090    
H         -1.662186470        0.4346983048         6.098562555    
H          1.872056115        0.1815729046         7.577683526    
H          3.397069390        0.4157425560         5.443387409    
H          1.652449094        -1.264981383         4.029584672    
H         0.8058899599        0.8099077187         2.642481056    
H          2.527110954         2.475937759         4.067408455    
H         -1.252742870         1.834018702         3.918849599    
H         0.4681409486         3.515705471         5.320948792    
H         0.1580724848        -1.502325198         6.158010035    
C         0.4390548071       -0.4971477109         5.823577495    
C          1.337324342       -0.3582241831         4.557372733    
C         0.8280965583        0.8672270545         3.740517630    
C        -0.3913326957         1.477398103         4.494142433    
C        -0.6300204281        0.6367567328         5.785061405    
C         0.3406446098         1.577848877         6.583025864    
C          1.410738115        0.4447279407         6.619790382    
C          2.312557972        0.5843937358         5.357191201    
C         0.5798508936         2.421796373         5.293329335    
C          1.799812960         1.808863982         4.540835425    
    20
Energy=    -1735.52526746500    
H         0.6117748741E-01     2.068249762         7.521442914    
H         -1.662743797        0.4337586073         6.096982185    
H          1.867852726        0.1737074155         7.579232309    
H          3.395252313        0.4174916321         5.446776593    
H          1.655673643        -1.262172288         4.029108878    
H         0.8080239928        0.8127973826         2.641572211    
H          2.529044275         2.479462927         4.070097018    
H         -1.250024859         1.837812377         3.918285273    
H         0.4673368051         3.515256684         5.321540576    
H         0.1576885049        -1.506447809         6.152390862    
C         0.4377966816       -0.4996966856         5.821679113    
C          1.338290147       -0.3563610351         4.556855063    
C         0.8301832764        0.8695368346         3.739268029    
C        -0.3900592840         1.477979879         4.493688340    
C        -0.6307102084        0.6355157417         5.783596729    
C         0.3393934787         1.575515323         6.583319306    
C          1.408519308        0.4416753244         6.621400333    
C          2.311796652        0.5854177683         5.359411476    
C         0.5800817876         2.422173565         5.294827833    
C          1.801582041         1.811415276         4.542145375    
    20
Energy=    -1735.52581855800    
H         0.5716240641E-01     2.066337982         7.521483683    
H         -1.664690483        0.4319066403         6.094360084    
H          1.861779116        0.1633967250         7.581188445    
H          3.394266512        0.4192379241         5.451731422    
H          1.660695063        -1.258553311         4.028167578    
H         0.8116914442        0.8172471030         2.640371593    
H          2.531275975         2.483988126         4.075107552    
H         -1.246713500         1.842980704         3.917121775    
H         0.4659539368         3.515815784         5.324109804    
H         0.1564082138        -1.511822166         6.143951540    
C         0.4367379435       -0.5018047600         5.817913426    
C          1.340110833       -0.3540082761         4.555781811    
C         0.8335082574        0.8726752192         3.738297147    
C        -0.3878054174         1.479408704         4.492898514    
C        -0.6318577594        0.6337911099         5.780699157    
C         0.3373003390         1.572758172         6.584028512    
C          1.405875386        0.4373995730         6.622737444    
C          2.311095011        0.5863785231         5.361863098    
C         0.5803923907         2.422385328         5.296731303    
C          1.802968013         1.813570561         4.545077577    
    20
Energy=    -1735.52590654700    
H         0.5685911795E-01     2.066261518         7.521438575    
H         -1.664879715        0.4316232175         6.094073996    
H          1.861217415        0.1624488410         7.581406928    
H          3.394295739        0.4194191629         5.452142324    
H          1.661266453        -1.258304422         4.028138368    
H         0.8121533667        0.8176750382         2.640137615    
H          2.531319815         2.484259145         4.075598545    
H         -1.246418064         1.843327557         3.917097869    
H         0.4657846084         3.516052273         5.324577814    
H         0.1561942019        -1.512121423         6.143137158    
C         0.4365733866       -0.5022248337         5.817642876    
C          1.340359471       -0.3538376923         4.555608330    
C         0.8338142125        0.8729125307         3.738324964    
C        -0.3877988479         1.479614921         4.492637984    
C        -0.6320379911        0.6336538958         5.780462913    
C         0.3371108109         1.572580030         6.584134635    
C          1.405662871        0.4370688902         6.622784981    
C          2.311070785        0.5864095927         5.362112427    
C         0.5804149115         2.422392521         5.296954543    
C          1.803190923         1.813878976         4.545208846    
    20
Energy=    -1735.52620018700    
H         0.5514282061E-01     2.065802631         7.521350328    
H         -1.666160641        0.4298561205         6.092341013    
H          1.858107494        0.1577369227         7.582386543    
H          3.394965528        0.4202050480         5.454302229    
H          1.664629283        -1.257230758         4.027886720    
H         0.8149743750        0.8200883523         2.639027346    
H          2.531588870         2.485722439         4.078335829    
H         -1.245329085         1.845100186         3.916681769    
H         0.4648292892         3.517520247         5.327840051    
H         0.1546531076        -1.513740451         6.138743105    
C         0.4359740023       -0.5034729783         5.815706815    
C          1.341783150       -0.3530354838         4.554753641    
C         0.8354958117        0.8742231161         3.738434041    
C        -0.3873246435         1.480642612         4.491584256    
C        -0.6329228226        0.6329632744         5.778979637    
C         0.3359984688         1.571630147         6.584559358    
C          1.404554587        0.4352562793         6.622846408    
C          2.311089059        0.5864827907         5.363257239    
C         0.5804269595         2.422540433         5.298082738    
C          1.803678016         1.814797757         4.546521272    
    20
Energy=    -1735.52639434400    
H         0.5420672302E-01     2.065690089         7.521186907    
H         -1.666909452        0.4282723977         6.090791072    
H          1.855865650        0.1551514185         7.582680956    
H          3.395737371        0.4207156404         5.455442385    
H          1.667336552        -1.256882357         4.027819803    
H         0.8174556789        0.8218237848         2.638556408    
H          2.531465674         2.486347575         4.080118629    
H         -1.245122577         1.845803037         3.916274360    
H         0.4642097614         3.518387716         5.331165007    
H         0.1531504284        -1.514231856         6.135823992    
C         0.4355879143       -0.5038743868         5.814217875    
C          1.342875347       -0.3528665013         4.554126463    
C         0.8365090469        0.8749762121         3.738166557    
C        -0.3871893286         1.481255992         4.491032644    
C        -0.6334805275        0.6326247720         5.777943416    
C         0.3351810443         1.571018943         6.584697462    
C          1.403775726        0.4341678735         6.622858967    
C          2.311574308        0.5863985160         5.364054441    
C         0.5801348031         2.423061534         5.298989228    
C          1.803788619         1.815247397         4.547673129    
    20
Energy=    -1735.52646203600    
H         0.5407705434E-01     2.065671622         7.521097495    
H         -1.666918753        0.4278649485         6.090309227    
H          1.855347675        0.1547821331         7.582698269    
H          3.395937193        0.4208467407         5.455582769    
H          1.668009150        -1.256901670         4.027824489    
H         0.8181245993        0.8222310325         2.638446835    
H          2.531478823         2.486478175         4.080379090    
H         -1.245216829         1.845787279         3.916131329    
H         0.4641252091         3.518451970         5.332121806    
H         0.1527549768        -1.514179559         6.135255471    
C         0.4355491726       -0.5038107492         5.813853762    
C          1.343103128       -0.3527653807         4.554030934    
C         0.8367276572        0.8751597025         3.738348690    
C        -0.3871657961         1.481361156         4.490955580    
C        -0.6334927956        0.6325793265         5.777689875    
C         0.3349843836         1.570854358         6.584676034    
C          1.403507643        0.4340075547         6.622742115    
C          2.311510220        0.5864411172         5.364235801    
C         0.5800269824         2.422943742         5.299205600    
C          1.803682503         1.815284443         4.548034517    
    20
Energy=    -1735.52678105800    
H         0.5301867924E-01     2.065530792         7.520392277    
H         -1.667070519        0.4245180194         6.086409616    
H          1.851034867        0.1519021877         7.582593247    
H          3.397084073        0.4219917837         5.456696080    
H          1.673363003        -1.256722341         4.028031987    
H         0.8235899940        0.8255862500         2.638272523    
H          2.531177744         2.487203548         4.082753351    
H         -1.245862828         1.845573289         3.915041459    
H         0.4634781870         3.518578889         5.339895299    
H         0.1495825351        -1.513626403         6.130628306    
C         0.4350702238       -0.5036113107         5.810964896    
C          1.345046787       -0.3525546764         4.553061930    
C         0.8383794012        0.8765311372         3.738447737    
C        -0.3872612187         1.482150425         4.490240075    
C        -0.6338797643        0.6321328156         5.775640351    
C         0.3333656914         1.569537191         6.584609036    
C          1.401611717        0.4326151149         6.622394431    
C          2.312006117        0.5866320285         5.365781818    
C         0.5790337681         2.423084595         5.301080793    
C          1.803382058         1.816033626         4.550683928    
    20
Energy=    -1735.52697745600    
H         0.5081044886E-01     2.064222520         7.520518958    
H         -1.667820816        0.4211695433         6.081971101    
H          1.846155021        0.1487342530         7.583662939    
H          3.395869843        0.4238260960         5.458493113    
H          1.677859212        -1.254412504         4.028241027    
H         0.8289834059        0.8299316853         2.639040798    
H          2.531374235         2.488923261         4.085714103    
H         -1.245569549         1.845249356         3.913514232    
H         0.4631983802         3.517045989         5.346944145    
H         0.1475289119        -1.514332464         6.126212069    
C         0.4349875938       -0.5045378329         5.807933020    
C          1.346885376       -0.3506999054         4.552460863    
C         0.8409708813        0.8786640946         3.738242151    
C        -0.3862697847         1.482530971         4.488717248    
C        -0.6342744166        0.6307975608         5.772382505    
C         0.3315169036         1.567237577         6.584553405    
C          1.399956029        0.4309325838         6.622471213    
C          2.311579393        0.5876561147         5.366974223    
C         0.5786426268         2.422861876         5.302738393    
C          1.803763805         1.817283943         4.552833460    
    20
Energy=    -1735.52707313300    
H         0.4913712048E-01     2.062403228         7.519990368    
H         -1.667628632        0.4187165176         6.077854622    
H          1.842585445        0.1473930984         7.584160303    
H          3.395155265        0.4251617433         5.459561802    
H          1.680950485        -1.252225667         4.028302157    
H         0.8331594289        0.8332696998         2.639156534    
H          2.531714126         2.490369705         4.087772466    
H         -1.245100225         1.844355415         3.912081099    
H         0.4631546868         3.515935615         5.352245473    
H         0.1465349353        -1.514750500         6.123370363    
C         0.4348623111       -0.5046223134         5.805947884    
C          1.348292569       -0.3503382283         4.551583837    
C         0.8425417557        0.8803746543         3.738400013    
C        -0.3860417436         1.482860327         4.487815118    
C        -0.6347326200        0.6295588292         5.770438049    
C         0.3297804903         1.565762749         6.584698479    
C          1.398297354        0.4298133023         6.622842073    
C          2.311304973        0.5886293381         5.368498389    
C         0.5780534600         2.421581214         5.304169082    
C          1.804123548         1.818834388         4.554730152    
    20
Energy=    -1735.52717138600    
H         0.4866608563E-01     2.061791566         7.519995199    
H         -1.667695953        0.4185528516         6.077234548    
H          1.842455408        0.1477051362         7.584355010    
H          3.395146078        0.4252505349         5.459691881    
H          1.680995419        -1.252049328         4.027859078    
H         0.8333736606        0.8336467985         2.638999023    
H          2.531963709         2.490827825         4.087997061    
H         -1.244821196         1.844135333         3.911676429    
H         0.4632365383         3.515559482         5.352225215    
H         0.1470833907        -1.514886411         6.123445152    
C         0.4348498854       -0.5048332001         5.806051431    
C          1.348153428       -0.3498152666         4.551806523    
C         0.8426568571        0.8805155178         3.738290902    
C        -0.3859762719         1.482650560         4.487984189    
C        -0.6346007691        0.6294091496         5.770354550    
C         0.3295200047         1.565377740         6.584534327    
C          1.397954291        0.4298628761         6.622903942    
C          2.311187020        0.5887451537         5.368792066    
C         0.5778213801         2.421652408         5.304377147    
C          1.804175572         1.818983732         4.555044543    
    20
Energy=    -1735.52728080400    
H         0.4711116527E-01     2.060079852         7.520005672    
H         -1.668044194        0.4176290137         6.075052783    
H          1.841438098        0.1481669887         7.584952738    
H          3.395056578        0.4256801163         5.460288826    
H          1.681643121        -1.251026933         4.026962761    
H         0.8346655526        0.8351696674         2.638653334    
H          2.532410919         2.492075133         4.089160417    
H         -1.244068461         1.843456485         3.910495379    
H         0.4632787075         3.514845545         5.353194847    
H         0.1481476050        -1.515447139         6.123100078    
C         0.4348811826       -0.5053039495         5.805810954    
C          1.348366114       -0.3488686642         4.551927935    
C         0.8433139249        0.8812557348         3.738300160    
C        -0.3857165884         1.482315256         4.487896603    
C        -0.6345500054        0.6287317388         5.769660145    
C         0.3285353391         1.564362424         6.584342827    
C          1.397140750        0.4296870158         6.623163893    
C          2.310861689        0.5891868148         5.369623846    
C         0.5772979404         2.421433652         5.305026033    
C          1.804373758         1.819652010         4.555998312    
    20
Energy=    -1735.52741874800    
H         0.4447070614E-01     2.057771143         7.520158609    
H         -1.668899514        0.4158743098         6.071629668    
H          1.839584134        0.1484156360         7.585975061    
H          3.395023976        0.4263636443         5.461436030    
H          1.683088218        -1.249413391         4.025783751    
H         0.8370090725        0.8376861662         2.638393902    
H          2.532745292         2.493850636         4.091503696    
H         -1.243023588         1.842563912         3.908725544    
H         0.4630037297         3.514386453         5.355227764    
H         0.1493555234        -1.516461765         6.122135181    
C         0.4350486492       -0.5060516994         5.805045960    
C          1.349163815       -0.3478189302         4.551787837    
C         0.8446086483        0.8824610246         3.738180769    
C        -0.3852382970         1.482054475         4.487324500    
C        -0.6349073392        0.6275470575         5.768293019    
C         0.3269515249         1.562991543         6.584258875    
C          1.396129206        0.4292380747         6.623468207    
C          2.310827086        0.5897371002         5.370761488    
C         0.5765869257         2.421244077         5.306007882    
C          1.804613671         1.820638495         4.557519495    
    20
Energy=    -1735.52784720400    
H         0.3335298084E-01     2.049219617         7.520748998    
H         -1.672767875        0.4082078194         6.057683921    
H          1.831695467        0.1486817879         7.589809639    
H          3.395809174        0.4289778688         5.466459115    
H          1.689802401        -1.243317149         4.021390410    
H         0.8470550135        0.8478682454         2.637304088    
H          2.533630648         2.500919662         4.101934377    
H         -1.239202754         1.839421852         3.901582009    
H         0.4611248341         3.513592354         5.363950411    
H         0.1535090090        -1.520701251         6.117542476    
C         0.4359378262       -0.5085934135         5.801224972    
C          1.353288389       -0.3444326156         4.550453800    
C         0.8502141766        0.8872225627         3.738773253    
C        -0.3832119056         1.481429691         4.484680458    
C        -0.6363226055        0.6227051563         5.762238443    
C         0.3202774534         1.557935525         6.584023182    
C          1.392371091        0.4271347622         6.624828343    
C          2.310497136        0.5919657370         5.375102092    
C         0.5735261987         2.420494249         5.309977284    
C          1.805547547         1.824337909         4.563910640    
    20
Energy=    -1735.52838171500    
H         0.1343331512E-01     2.034978053         7.521407967    
H         -1.678742686        0.3946559109         6.033216437    
H          1.818203199        0.1484021882         7.596430601    
H          3.396305646        0.4335706932         5.475398970    
H          1.702104818        -1.233338018         4.014025999    
H         0.8647340354        0.8653028688         2.637346139    
H          2.534726463         2.512977242         4.121165842    
H         -1.232480475         1.834380634         3.889479404    
H         0.4569506910         3.512591617         5.378588922    
H         0.1604395942        -1.527475228         6.109012196    
C         0.4377498436       -0.5137250600         5.794393287    
C          1.360879630       -0.3393984246         4.548158977    
C         0.8601151250        0.8952668105         3.737706180    
C        -0.3801743124         1.480751348         4.479570680    
C        -0.6399840327        0.6141366609         5.751739000    
C         0.3086014294         1.549709201         6.584209991    
C          1.385616591        0.4238522039         6.626613171    
C          2.312463964        0.5952103157         5.382996789    
C         0.5681749394         2.420074013         5.316776929    
C          1.807003506         1.831134168         4.575382270    
    20
Energy=    -1735.52888928900    
H         0.2689472130E-02     2.028373367         7.521718150    
H         -1.681903426        0.3871970055         6.020736036    
H          1.811044325        0.1473920950         7.599258714    
H          3.397375874        0.4357693008         5.480412529    
H          1.709160677        -1.228789923         4.010728951    
H         0.8742702500        0.8739735050         2.637455224    
H          2.534975862         2.519071841         4.132158005    
H         -1.229440750         1.832470423         3.883578132    
H         0.4537968108         3.512899771         5.385918574    
H         0.1632378614        -1.530975910         6.104084061    
C         0.4390105753       -0.5155256481         5.790138737    
C          1.365651689       -0.3373587599         4.546595085    
C         0.8655447440        0.8993842457         3.738696042    
C        -0.3782863560         1.480649530         4.476607864    
C        -0.6414608041        0.6099158688         5.745745301    
C         0.3024366951         1.545820156         6.584025375    
C          1.382552955        0.4219611823         6.627622180    
C          2.312621662        0.5969914137         5.386697127    
C         0.5653120632         2.419627894         5.320025657    
C          1.807524284         1.834202866         4.581419164    
    20
Energy=    -1735.52970078300    
H        -0.4507975200E-02     2.025724093         7.521094266    
H         -1.683003438        0.3816834710         6.013427540    
H          1.806554359        0.1444268749         7.599488126    
H          3.398599756        0.4369111225         5.484418608    
H          1.714966465        -1.227692538         4.009968010    
H         0.8810260009        0.8781968919         2.638935801    
H          2.534510443         2.522379285         4.141753290    
H         -1.228284627         1.833101427         3.881370828    
H         0.4492106004         3.514022700         5.388972865    
H         0.1633621302        -1.531932644         6.099510780    
C         0.4401937839       -0.5159320788         5.786378009    
C          1.370080781       -0.3371965254         4.545075184    
C         0.8695431645        0.9014426236         3.740696300    
C        -0.3770154150         1.481154782         4.474169578    
C        -0.6417191980        0.6078493240         5.740839750    
C         0.2983295971         1.544470627         6.583817936    
C          1.380947232        0.4208872339         6.627914498    
C          2.312778412        0.5980547025         5.388715326    
C         0.5630350342         2.419968122         5.321438300    
C          1.807503297         1.835527038         4.585637709    
    20
Energy=    -1735.53036357900    
H        -0.1729211157E-01     2.019604963         7.520418161    
H         -1.684474726        0.3722458568         5.999235442    
H          1.798403082        0.1403209071         7.601045304    
H          3.399397436        0.4396176632         5.491237135    
H          1.724697087        -1.224540020         4.007632625    
H         0.8932119052        0.8867359662         2.640818545    
H          2.535120989         2.529439356         4.157165628    
H         -1.225498087         1.833097004         3.876263054    
H         0.4426821624         3.514207011         5.394952953    
H         0.1647188020        -1.534184860         6.092077784    
C         0.4419188154       -0.5172517424         5.780441240    
C          1.376210030       -0.3350120262         4.543712901    
C         0.8763130786        0.9055748958         3.741625620    
C        -0.3747257162         1.481239824         4.470722228    
C        -0.6428411670        0.6035375433         5.733208156    
C         0.2913256755         1.540371063         6.582773787    
C          1.376606310        0.4191242201         6.628264098    
C          2.313591185        0.6000550844         5.393553425    
C         0.5590726350         2.420022367         5.324753913    
C          1.807665180         1.838833863         4.593723093    
    20
Energy=    -1735.53092097700    
H        -0.4007508864E-01     2.006787073         7.516591237    
H         -1.685679975        0.3541107966         5.972063220    
H          1.782166349        0.1313354804         7.602672243    
H          3.399480510        0.4456780777         5.505347837    
H          1.742741084        -1.216899531         4.005246317    
H         0.9174618135        0.9021938234         2.643002142    
H          2.537441314         2.542728642         4.186990847    
H         -1.219161342         1.833709671         3.868096369    
H         0.4297330114         3.512493113         5.404347947    
H         0.1666406133        -1.536818230         6.076909811    
C         0.4436300375       -0.5208873400         5.769904749    
C          1.387831076       -0.3315261863         4.540600534    
C         0.8890655451        0.9139103743         3.742846334    
C        -0.3718490317         1.481451944         4.463416086    
C        -0.6443530651        0.5953340739         5.718775357    
C         0.2770839568         1.533421622         6.583218986    
C          1.367972169        0.4151245678         6.629995522    
C          2.314653613        0.6044641026         5.404196594    
C         0.5516394716         2.419174095         5.330780551    
C          1.809666075         1.847238805         4.608627887    
    20
Energy=    -1735.53183189000    
H        -0.3703284348E-01     2.008875618         7.516578336    
H         -1.683921099        0.3556594760         5.975443910    
H          1.783814098        0.1301281616         7.601494090    
H          3.398700971        0.4456292666         5.505169535    
H          1.741238653        -1.218304824         4.007037900    
H         0.9158920141        0.8991889199         2.642530435    
H          2.538711790         2.541570306         4.184613514    
H         -1.220320647         1.835373357         3.870349396    
H         0.4296028487         3.511356875         5.400797417    
H         0.1647890014        -1.535672808         6.077434686    
C         0.4432943750       -0.5193090072         5.770631732    
C          1.386156932       -0.3306874506         4.541990623    
C         0.8880290644        0.9130542431         3.742410451    
C        -0.3713593290         1.481064119         4.464809660    
C        -0.6433275366        0.5968066083         5.720235975    
C         0.2790932810         1.533545574         6.581794263    
C          1.367807638        0.4155058728         6.629444169    
C          2.313534332        0.6044195875         5.403634524    
C         0.5521745428         2.418748815         5.329683971    
C          1.809211821         1.846074288         4.607545808    
    20
Energy=    -1735.53225402400    
H        -0.3777217334E-01     2.008070897         7.516055303    
H         -1.682912913        0.3541002084         5.973849564    
H          1.782336628        0.1278724807         7.601233909    
H          3.397493634        0.4469034119         5.507630504    
H          1.742402259        -1.217257274         4.008394490    
H         0.9186697206        0.8992725729         2.641882964    
H          2.540505569         2.542683146         4.187032373    
H         -1.219797908         1.836609305         3.870941594    
H         0.4278258978         3.509757335         5.399249701    
H         0.1635807436        -1.535411269         6.075471126    
C         0.4429421473       -0.5190568438         5.769799685    
C          1.386349088       -0.3291897523         4.542621476    
C         0.8892648312        0.9138881904         3.741474131    
C        -0.3707025353         1.480809757         4.464434285    
C        -0.6432007069        0.5964557301         5.719337730    
C         0.2784694663         1.532502170         6.581182575    
C          1.366252585        0.4149854320         6.629553355    
C          2.312929514        0.6052061419         5.405101341    
C         0.5517988615         2.417869072         5.329734327    
C          1.809654275         1.846955598         4.608650747    
    20
Energy=    -1735.53276079600    
H        -0.4106515254E-01     2.005332498         7.515892975    
H         -1.683473478        0.3496918234         5.969060986    
H          1.777899859        0.1238550902         7.602108106    
H          3.396087202        0.4495497833         5.513679719    
H          1.745624660        -1.213894316         4.010237656    
H         0.9256915204        0.9011575010         2.640152813    
H          2.543496691         2.545446810         4.193441868    
H         -1.218207777         1.838537839         3.870571299    
H         0.4241215244         3.507720290         5.398106741    
H         0.1617545615        -1.536360558         6.070817489    
C         0.4423909838       -0.5194601888         5.767319763    
C          1.388120123       -0.3263171038         4.542822948    
C         0.8928498532        0.9161702560         3.740464360    
C        -0.3688356214         1.480543413         4.462542527    
C        -0.6436176445        0.5949352445         5.716019826    
C         0.2759103644         1.530511111         6.580889160    
C          1.363730481        0.4134016081         6.630374147    
C          2.311673414        0.6070029341         5.407874179    
C         0.5510523384         2.416514889         5.330124255    
C          1.810882056         1.848685334         4.611130867    
    20
Energy=    -1735.53287032000    
H        -0.4091144643E-01     2.005198851         7.516143197    
H         -1.683689111        0.3495885940         5.969074732    
H          1.777565473        0.1236055623         7.602457626    
H          3.395824580        0.4497824196         5.514352815    
H          1.745633981        -1.213540958         4.010420713    
H         0.9261348675        0.9010799684         2.639930431    
H          2.543831134         2.545374291         4.193453027    
H         -1.217982872         1.838778903         3.870628735    
H         0.4240254573         3.507579766         5.397757278    
H         0.1614643967        -1.536538745         6.070399299    
C         0.4422231636       -0.5196173964         5.767277131    
C          1.388055082       -0.3260253905         4.542943024    
C         0.8930860193        0.9162519834         3.739903296    
C        -0.3687543110         1.480600238         4.462344825    
C        -0.6439645864        0.5948709394         5.715980993    
C         0.2758761621         1.530435848         6.580930857    
C          1.363515863        0.4132884726         6.630435617    
C          2.311842547        0.6070126443         5.408096407    
C         0.5511866356         2.416492028         5.330062818    
C          1.811122843         1.848806346         4.611038456    
    20
Energy=    -1735.53320147900    
H        -0.4160967065E-01     2.003407005         7.517340906    
H         -1.685604773        0.3477619814         5.967265956    
H          1.774305845        0.1219609350         7.604475307    
H          3.395104901        0.4513048340         5.519160660    
H          1.746869660        -1.210885655         4.011106519    
H         0.9302745333        0.9018462050         2.638136109    
H          2.545865686         2.545988105         4.195409575    
H         -1.216414110         1.840146284         3.869992672    
H         0.4228023450         3.507039990         5.396765125    
H         0.1601172395        -1.538078571         6.067088281    
C         0.4413232481       -0.5204438308         5.766191539    
C          1.388773385       -0.3243675371         4.543041935    
C         0.8952230903        0.9174095218         3.738305252    
C        -0.3677493720         1.480820594         4.460832082    
C        -0.6455131786        0.5940345398         5.714520999    
C         0.2744742447         1.529672594         6.581302087    
C          1.362095838        0.4121624165         6.631296399    
C          2.311801220        0.6076111157         5.409805266    
C         0.5514734850         2.415966770         5.330051535    
C          1.812469558         1.849666080         4.611544051    
    20
Energy=    -1735.53340478600    
H        -0.4098362709E-01     2.002370389         7.518545456    
H         -1.687206065        0.3479058201         5.966819381    
H          1.771824519        0.1220279582         7.606068530    
H          3.395378248        0.4515524138         5.522437838    
H          1.747448633        -1.210039755         4.010439242    
H         0.9321086428        0.9019443708         2.637279776    
H          2.547028785         2.545547264         4.194822390    
H         -1.215330165         1.841345183         3.868825820    
H         0.4231666108         3.507163302         5.396140903    
H         0.1595090270        -1.539257865         6.064646112    
C         0.4404694237       -0.5206635434         5.765772314    
C          1.388923927       -0.3238496587         4.543291334    
C         0.8960414591        0.9176572413         3.737856717    
C        -0.3671626271         1.480955165         4.460563269    
C        -0.6463634361        0.5941215319         5.714105166    
C         0.2737755065         1.529370983         6.581271757    
C          1.360905588        0.4116454748         6.631772176    
C          2.311737822        0.6074743047         5.411002274    
C         0.5516443705         2.416249176         5.330088320    
C          1.813166472         1.849502395         4.611882196    
    20
Energy=    -1735.53358432900    
H        -0.3943932567E-01     1.999710851         7.520176167    
H         -1.689598485        0.3491845615         5.965288006    
H          1.765502683        0.1228842765         7.608684739    
H          3.395761678        0.4514748070         5.529570831    
H          1.748665984        -1.208308761         4.008817622    
H         0.9356914924        0.9021923740         2.636523220    
H          2.548693706         2.543731842         4.193746027    
H         -1.212163432         1.843859361         3.866286998    
H         0.4243553491         3.508212021         5.395152185    
H         0.1585359520        -1.541203473         6.058824463    
C         0.4385320220       -0.5212885373         5.764608777    
C          1.389949998       -0.3244317096         4.542955065    
C         0.8976294305        0.9179827045         3.738725712    
C        -0.3668809290         1.482043128         4.459193676    
C        -0.6483498380        0.5943936505         5.713100134    
C         0.2719570989         1.529643952         6.581789963    
C          1.358433825        0.4105181319         6.633079741    
C          2.311766454        0.6069545150         5.413936879    
C         0.5522000800         2.415807243         5.330290483    
C          1.814838759         1.849658955         4.612876107    
    20
Energy=    -1735.53380317100    
H        -0.3912869705E-01     2.000050557         7.520289596    
H         -1.689426299        0.3501274101         5.965582782    
H          1.765389923        0.1234834214         7.608687218    
H          3.395778161        0.4508859131         5.529331759    
H          1.748502140        -1.209133064         4.008246844    
H         0.9348905532        0.9019966652         2.637618711    
H          2.548311558         2.543195552         4.193007734    
H         -1.212264986         1.843992128         3.865904173    
H         0.4250540191         3.508300399         5.395325658    
H         0.1586792829        -1.541091688         6.058896750    
C         0.4386886304       -0.5210342936         5.764581119    
C          1.389722199       -0.3245350544         4.543289347    
C         0.8973550811        0.9176237058         3.738965650    
C        -0.3666558995         1.482006417         4.459688868    
C        -0.6480615624        0.5948500381         5.713196198    
C         0.2723601497         1.529596901         6.581279389    
C          1.358277185        0.4107988919         6.632533914    
C          2.311924103        0.6065225233         5.413783504    
C         0.5522415457         2.416419902         5.330323489    
C          1.814445975         1.848963466         4.613093852    
    20
Energy=    -1735.53391833700    
H        -0.3882271744E-01     2.000049460         7.520289176    
H         -1.689270728        0.3513772715         5.965451585    
H          1.764274886        0.1241456330         7.608791575    
H          3.395612986        0.4501606984         5.529972468    
H          1.748431452        -1.209706456         4.007664508    
H         0.9344945898        0.9018904723         2.639028416    
H          2.547907215         2.542297562         4.192522659    
H         -1.211796619         1.844401714         3.865303722    
H         0.4259205576         3.508510177         5.395493101    
H         0.1586686253        -1.541021159         6.058215107    
C         0.4386391205       -0.5209395600         5.764266211    
C          1.389772151       -0.3248907668         4.543438708    
C         0.8973576533        0.9173062261         3.739598371    
C        -0.3664572588         1.482278085         4.459780584    
C        -0.6479307766        0.5953434651         5.712946363    
C         0.2725368471         1.529682023         6.580862456    
C          1.357872404        0.4109081192         6.632113956    
C          2.312066737        0.6059925861         5.413984285    
C         0.5524485619         2.416859203         5.330405327    
C          1.814357700         1.848374296         4.613496805    
    20
Energy=    -1735.53401646900    
H        -0.3864111539E-01     1.999643002         7.520200517    
H         -1.689454142        0.3529722452         5.964766428    
H          1.761794102        0.1246336687         7.609267105    
H          3.395317048        0.4492687080         5.532010846    
H          1.748414037        -1.209867388         4.007223120    
H         0.9348363927        0.9019121463         2.640348419    
H          2.547872327         2.541178811         4.192374978    
H         -1.210643814         1.845290953         3.864333114    
H         0.4270434345         3.508839485         5.395627905    
H         0.1582084531        -1.541230717         6.056570099    
C         0.4382060145       -0.5209513667         5.763565482    
C          1.390008289       -0.3252182488         4.543494736    
C         0.8978395271        0.9171832750         3.740597328    
C        -0.3658621481         1.482850788         4.459495896    
C        -0.6479530548        0.5958995128         5.712144537    
C         0.2724169998         1.529787262         6.580444937    
C          1.357062778        0.4106626774         6.631906039    
C          2.311985724        0.6053704316         5.414626564    
C         0.5529901455         2.417099465         5.330474325    
C          1.814642854         1.847694207         4.614152836    
    20
Energy=    -1735.53403939100    
H        -0.3870633604E-01     1.999570881         7.520112453    
H         -1.689475319        0.3532740396         5.964554295    
H          1.761312715        0.1245946065         7.609390429    
H          3.395200342        0.4490988856         5.532440716    
H          1.748388859        -1.209865580         4.007230651    
H         0.9349799665        0.9019447480         2.640529152    
H          2.547946076         2.541014672         4.192467968    
H         -1.210345182         1.845456360         3.864190507    
H         0.4272672184         3.508868743         5.395667479    
H         0.1580385141        -1.541255143         6.056259729    
C         0.4380664557       -0.5210080281         5.763449187    
C          1.390011990       -0.3252661909         4.543519608    
C         0.8979800684        0.9171869430         3.740580766    
C        -0.3657837750         1.482999673         4.459373579    
C        -0.6480294338        0.5959850431         5.711989399    
C         0.2723787902         1.529782352         6.580370712    
C          1.356855751        0.4105829653         6.631899362    
C          2.312052399        0.6052240016         5.414818687    
C         0.5531273196         2.417156390         5.330513982    
C          1.814817639         1.847673096         4.614266429    
    20
Energy=    -1735.53416590700    
H        -0.3935357750E-01     1.998896294         7.519369397    
H         -1.689932691        0.3556878225         5.962708034    
H          1.757063574        0.1241465885         7.610425004    
H          3.394464363        0.4476592533         5.536315425    
H          1.748206968        -1.209737792         4.007400580    
H         0.9364163051        0.9022544471         2.641557139    
H          2.548855918         2.539863352         4.193347780    
H         -1.207966582         1.847011964         3.862839394    
H         0.4290814170         3.509192995         5.396005103    
H         0.1564748793        -1.541634111         6.053565795    
C         0.4368450310       -0.5212797292         5.762333839    
C          1.390152528       -0.3254946280         4.543663326    
C         0.8992849715        0.9173924382         3.741131581    
C        -0.3646398791         1.484147111         4.458443724    
C        -0.6484201935        0.5967478935         5.710429370    
C         0.2719219987         1.529734375         6.579731792    
C          1.355186260        0.4097450287         6.631996531    
C          2.312013585        0.6041757745         5.416328530    
C         0.5543409151         2.417340602         5.330705188    
C          1.816088573         1.847166039         4.615326988    
    20
Energy=    -1735.53430956500    
H        -0.4094084439E-01     1.998337925         7.518260189    
H         -1.690814854        0.3583920697         5.960132918    
H          1.752245312        0.1226642791         7.611828770    
H          3.393620106        0.4458379417         5.541036194    
H          1.747984644        -1.209785740         4.008005562    
H         0.9386174521        0.9028120681         2.641968588    
H          2.550849568         2.539204077         4.195084318    
H         -1.205235293         1.849093588         3.861141156    
H         0.4312846307         3.509288802         5.396567722    
H         0.1540224079        -1.542137024         6.050575654    
C         0.4351611059       -0.5214217301         5.761017353    
C          1.390072147       -0.3252538860         4.544124404    
C         0.9011981461        0.9178986546         3.741147301    
C        -0.3627087352         1.485350544         4.457451383    
C        -0.6488072314        0.5977452012         5.708348791    
C         0.2712530064         1.529334006         6.578754968    
C          1.352905168        0.4085377950         6.632215589    
C          2.311761409        0.6029296874         5.418267858    
C         0.5558537507         2.417690399         5.330910159    
C          1.817764192         1.846492529         4.616784533    
    20
Energy=    -1735.53435018300    
H        -0.4570322526E-01     1.997572281         7.515019825    
H         -1.692967634        0.3635477353         5.954247420    
H          1.743517171        0.1179570660         7.614028074    
H          3.392225272        0.4418195629         5.550137395    
H          1.747213369        -1.209831310         4.010458377    
H         0.9438135716        0.9042945551         2.640490762    
H          2.556210827         2.538768145         4.200324723    
H         -1.199509787         1.853392795         3.858060295    
H         0.4356743243         3.509779648         5.398189766    
H         0.1481283285        -1.542650413         6.045219321    
C         0.4310686666       -0.5217277237         5.758589608    
C          1.390255614       -0.3255358998         4.544236474    
C         0.9055497215        0.9193721410         3.741616293    
C        -0.3590496389         1.488213918         4.454441277    
C        -0.6499738163        0.5996934845         5.703938775    
C         0.2691305703         1.529105910         6.577665978    
C          1.348698482        0.4054962981         6.634037061    
C          2.310481624        0.6006576130         5.422331696    
C         0.5592265039         2.417024564         5.331171610    
C          1.822101193         1.846049481         4.619416237    
    20
Energy=    -1735.53458640100    
H        -0.4532917737E-01     1.998253583         7.515844203    
H         -1.692704764        0.3619360514         5.955599307    
H          1.746855281        0.1182811063         7.613407122    
H          3.392608834        0.4427756338         5.547267558    
H          1.747478406        -1.210330803         4.010023623    
H         0.9426906019        0.9040869874         2.640304608    
H          2.555611610         2.539481221         4.199620568    
H         -1.201319538         1.852421075         3.858788424    
H         0.4344750040         3.509385314         5.397972198    
H         0.1492613608        -1.542333680         6.047133957    
C         0.4320777967       -0.5214132638         5.759346106    
C          1.389990558       -0.3251529036         4.544461083    
C         0.9046239429        0.9190885867         3.740702704    
C        -0.3597644598         1.487273748         4.455338755    
C        -0.6497447078        0.5992593915         5.705092278    
C         0.2695691772         1.528943941         6.577889026    
C          1.349642814        0.4063064713         6.633587571    
C          2.310845222        0.6012309515         5.421276086    
C         0.5582451748         2.417370344         5.331098576    
C          1.820977214         1.846138597         4.618867688    
    20
Energy=    -1735.53464196500    
H        -0.4612836436E-01     1.998705033         7.515789917    
H         -1.692948823        0.3616477396         5.955460090    
H          1.747941168        0.1174859606         7.613162785    
H          3.392649579        0.4427019327         5.546660486    
H          1.747511000        -1.210730983         4.010263448    
H         0.9428798219        0.9042586821         2.639777891    
H          2.556215504         2.539883789         4.200329304    
H         -1.201555174         1.852509495         3.858792612    
H         0.4343786131         3.509200987         5.398169784    
H         0.1489525556        -1.542050838         6.047665758    
C         0.4320234161       -0.5212498441         5.759488058    
C          1.389914697       -0.3251180420         4.544499015    
C         0.9047639050        0.9191498478         3.740154550    
C        -0.3597702766         1.487185926         4.455277663    
C        -0.6498724596        0.5992860076         5.705125645    
C         0.2693947223         1.528896407         6.578030496    
C          1.349669130        0.4063195580         6.633756250    
C          2.310831132        0.6012447171         5.421232978    
C         0.5581386862         2.417397644         5.331104214    
C          1.821102132         1.846277830         4.618880487    
    20
Energy=    -1735.53471259600    
H        -0.4810795076E-01     1.999342871         7.515367405    
H         -1.693640393        0.3622965281         5.954259705    
H          1.748081953        0.1157424354         7.612910389    
H          3.392370072        0.4417856651         5.547216227    
H          1.747524284        -1.211520566         4.010768171    
H         0.9439805706        0.9047902744         2.639441923    
H          2.557809671         2.539838612         4.202308288    
H         -1.200781120         1.853557757         3.858011658    
H         0.4350668375         3.509159522         5.398761010    
H         0.1476279469        -1.541530482         6.047397110    
C         0.4313943784       -0.5209847310         5.759137197    
C          1.389935805       -0.3253148123         4.544515956    
C         0.9056433124        0.9193445997         3.739834453    
C        -0.3592175884         1.487672168         4.454648814    
C        -0.6503446426        0.5997409086         5.704364808    
C         0.2687616493         1.528934563         6.578122838    
C          1.348991719        0.4060012500         6.634051135    
C          2.310685569        0.6007372637         5.421769778    
C         0.5585570226         2.417304362         5.331200547    
C          1.821754136         1.846100025         4.619534836    
    20
Energy=    -1735.53472780100    
H        -0.4839939395E-01     1.999463688         7.515311849    
H         -1.693761581        0.3624075753         5.954091202    
H          1.748156092        0.1155331689         7.612744299    
H          3.392369042        0.4416273696         5.547230837    
H          1.747522495        -1.211651153         4.010802889    
H         0.9441364086        0.9048868347         2.639510812    
H          2.557968424         2.539664956         4.202645294    
H         -1.200615279         1.853755212         3.857831949    
H         0.4351898967         3.509111378         5.398847466    
H         0.1474744015        -1.541413749         6.047372004    
C         0.4312897338       -0.5208992133         5.759070413    
C          1.389951042       -0.3254342714         4.544483544    
C         0.9057162697        0.9193370804         3.739857148    
C        -0.3591772384         1.487741792         4.454598058    
C        -0.6503503833        0.5998448392         5.704246542    
C         0.2686467758         1.528954844         6.578152031    
C          1.348920248        0.4059564374         6.634102173    
C          2.310593593        0.6006350913         5.421819605    
C         0.5585670162         2.417416696         5.331267082    
C          1.821896233         1.846059864         4.619636865    
    20
Energy=    -1735.53478601200    
H        -0.5082739769E-01     2.000203327         7.514713780    
H         -1.694597628        0.3637057635         5.952372230    
H          1.747868902        0.1136461775         7.612042963    
H          3.391984144        0.4401937141         5.548190417    
H          1.747499653        -1.212665636         4.011187730    
H         0.9456390991        0.9056651246         2.639864418    
H          2.559764577         2.538644988         4.205256223    
H         -1.198983388         1.855466320         3.856353867    
H         0.4363784175         3.509231838         5.399618566    
H         0.1458675985        -1.540630835         6.046655949    
C         0.4303356841       -0.5205070214         5.758391364    
C          1.389998791       -0.3260465136         4.544375837    
C         0.9067279183        0.9194710414         3.740153805    
C        -0.3584675008         1.488631563         4.453843710    
C        -0.6508834824        0.6006529609         5.703107349    
C         0.2677567163         1.529170346         6.578279351    
C          1.347914076        0.4055250303         6.634308999    
C          2.310256998        0.5996906961         5.422549376    
C         0.5591701241         2.417455353         5.331583854    
C          1.822693546         1.845491945         4.620772379    
    20
Energy=    -1735.53479006800    
H        -0.5091712402E-01     2.000226186         7.514692419    
H         -1.694624695        0.3638214226         5.952275523    
H          1.747806985        0.1135955427         7.612006726    
H          3.391945247        0.4401064927         5.548258488    
H          1.747472763        -1.212710725         4.011160123    
H         0.9457132672        0.9057221048         2.639972391    
H          2.559845767         2.538500783         4.205351458    
H         -1.198821555         1.855592041         3.856219298    
H         0.4364733784         3.509262433         5.399652733    
H         0.1457967152        -1.540624892         6.046604663    
C         0.4302748976       -0.5204773405         5.758343454    
C          1.389952629       -0.3260676395         4.544396361    
C         0.9067598889        0.9194749517         3.740186316    
C        -0.3583980692         1.488696255         4.453848081    
C        -0.6509147286        0.6007160521         5.703057100    
C         0.2677428961         1.529158151         6.578240960    
C          1.347823164        0.4054991246         6.634265537    
C          2.310245536        0.5995973615         5.422594714    
C         0.5592171134         2.417496419         5.331623769    
C          1.822702875         1.845411485         4.620871819    
    20
Energy=    -1735.53480707400    
H        -0.5142101094E-01     2.000297909         7.514454672    
H         -1.694799551        0.3645983699         5.951665250    
H          1.747359964        0.1133218965         7.611692552    
H          3.391713628        0.4395248350         5.548687098    
H          1.747221757        -1.212910741         4.011008704    
H         0.9461802727        0.9061039901         2.640587516    
H          2.560341205         2.537480029         4.205947430    
H         -1.197662790         1.856399755         3.855370441    
H         0.4370951730         3.509569999         5.399884123    
H         0.1453737288        -1.540531838         6.046265572    
C         0.4298009215       -0.5204209895         5.758066205    
C          1.389709987       -0.3263392353         4.544382894    
C         0.9069453388        0.9195110651         3.740664061    
C        -0.3580480596         1.489209633         4.453769822    
C        -0.6511204245        0.6011198692         5.702716152    
C         0.2675887541         1.529234287         6.578171882    
C          1.347336692        0.4052854305         6.634096763    
C          2.310098392        0.5990101877         5.422862685    
C         0.5595808887         2.417596471         5.331863947    
C          1.822804724         1.844935525         4.621462557    
    20
Energy=    -1735.53481561100    
H        -0.5140520335E-01     2.000205670         7.514394036    
H         -1.695011001        0.3649769756         5.951546941    
H          1.747147640        0.1132480465         7.611744349    
H          3.391586059        0.4392686473         5.548818322    
H          1.746824692        -1.212886216         4.010852056    
H         0.9462773420        0.9063495699         2.640688771    
H          2.560667222         2.537050132         4.205905402    
H         -1.197057866         1.856810653         3.854975961    
H         0.4374374165         3.509705554         5.399991172    
H         0.1451746030        -1.540672752         6.046277039    
C         0.4294761623       -0.5205508785         5.758067296    
C          1.389474425       -0.3264068460         4.544381348    
C         0.9070172616        0.9195772729         3.740810273    
C        -0.3578466115         1.489435411         4.453783217    
C        -0.6511904413        0.6012963140         5.702618548    
C         0.2675962637         1.529238107         6.578160088    
C          1.347178952        0.4050870770         6.634128308    
C          2.309939088        0.5987531913         5.422931869    
C         0.5598287799         2.417738807         5.331960065    
C          1.822985621         1.844771598         4.621586510    
    20
Energy=    -1735.53481942500    
H        -0.5118625113E-01     1.999940548         7.514447484    
H         -1.695375515        0.3659032288         5.951394803    
H          1.746752575        0.1130589563         7.612055664    
H          3.391198001        0.4386751829         5.548998332    
H          1.745734612        -1.212805243         4.010438818    
H         0.9463476780        0.9069232779         2.640754161    
H          2.561492809         2.536215636         4.205589568    
H         -1.195747138         1.857707325         3.854254217    
H         0.4382048958         3.510087595         5.400258047    
H         0.1446498818        -1.541125071         6.046463510    
C         0.4288444101       -0.5207182978         5.758116569    
C          1.388882530       -0.3266241030         4.544374438    
C         0.9071449562        0.9197549351         3.740910349    
C        -0.3574785647         1.490011090         4.453710127    
C        -0.6516412266        0.6015793644         5.702602833    
C         0.2677380757         1.529195806         6.578076249    
C          1.346819278        0.4046433524         6.634256380    
C          2.309745425        0.5981639064         5.423119318    
C         0.5604825342         2.417750074         5.332131431    
C          1.823493365         1.844659325         4.621670910    
    20
Energy=    -1735.53482612800    
H        -0.5110273815E-01     1.999929454         7.514486997    
H         -1.695445980        0.3658680322         5.951484673    
H          1.746775448        0.1130618336         7.612063445    
H          3.391274181        0.4386568695         5.548961049    
H          1.745746717        -1.212879318         4.010410596    
H         0.9462848280        0.9068857961         2.640684089    
H          2.561513704         2.536356054         4.205528009    
H         -1.195924991         1.857704004         3.854321838    
H         0.4381806395         3.509930285         5.400258090    
H         0.1446727667        -1.541020823         6.046470319    
C         0.4288505480       -0.5207655437         5.758154553    
C          1.388894705       -0.3265143363         4.544394030    
C         0.9071289191        0.9197466803         3.740875514    
C        -0.3574554716         1.489901214         4.453790387    
C        -0.6514781259        0.6016241845         5.702566104    
C         0.2677256524         1.529170185         6.578125798    
C          1.346876365        0.4046795392         6.634253543    
C          2.309702008        0.5982233196         5.423056530    
C         0.5604353742         2.417862301         5.332092365    
C          1.823447870         1.844577076         4.621645030    
    20
Energy=    -1735.53482726500    
H        -0.5107186896E-01     1.999940427         7.514525160    
H         -1.695416364        0.3658392646         5.951523484    
H          1.746807763        0.1130611447         7.612044306    
H          3.391308597        0.4386587162         5.548926624    
H          1.745786634        -1.212906146         4.010430906    
H         0.9462440872        0.9068399342         2.640654132    
H          2.561465469         2.536434254         4.205539988    
H         -1.196057921         1.857658116         3.854421691    
H         0.4381359346         3.509863492         5.400253488    
H         0.1446848757        -1.540956132         6.046469641    
C         0.4289058381       -0.5207166341         5.758150082    
C          1.388939403       -0.3265192540         4.544376936    
C         0.9071084035        0.9197301932         3.740833295    
C        -0.3575013735         1.489859936         4.453789992    
C        -0.6514529281        0.6016115748         5.702583559    
C         0.2677321209         1.529169374         6.578137199    
C          1.346914870        0.4047160799         6.634251033    
C          2.309728562        0.5982635224         5.423032041    
C         0.5603943437         2.417841898         5.332078120    
C          1.823446444         1.844607316         4.621601173    
    20
Energy=    -1735.53483133700    
H        -0.5081759032E-01     1.999903321         7.514719880    
H         -1.695397517        0.3660612538         5.951665560    
H          1.746824484        0.1129655676         7.612018271    
H          3.391357035        0.4384077331         5.548813498    
H          1.745620126        -1.213084272         4.010380150    
H         0.9460534835        0.9067911128         2.640521161    
H          2.561542310         2.536553727         4.205519408    
H         -1.196311573         1.857777232         3.854699090    
H         0.4381845900         3.509675166         5.400344281    
H         0.1445444483        -1.540693897         6.046500974    
C         0.4289456224       -0.5205639917         5.758124969    
C          1.388930821       -0.3265432229         4.544301744    
C         0.9070569928        0.9197093768         3.740711645    
C        -0.3575605719         1.489862495         4.453795488    
C        -0.6514468615        0.6016958137         5.702642869    
C         0.2678225317         1.529191332         6.578200670    
C          1.346989810        0.4047604654         6.634211858    
C          2.309816367        0.5982337260         5.422926192    
C         0.5604443701         2.417703604         5.332052671    
C          1.823502321         1.844589639         4.621474729    
    20
Energy=    -1735.53483259800    
H        -0.5072889818E-01     1.999879263         7.514761738    
H         -1.695432477        0.3661925110         5.951690813    
H          1.746794250        0.1129241095         7.612009328    
H          3.391352704        0.4382915774         5.548795029    
H          1.745491224        -1.213115837         4.010348659    
H         0.9460130703        0.9068170829         2.640501519    
H          2.561600189         2.536496467         4.205511832    
H         -1.196273788         1.857882003         3.854723194    
H         0.4382604612         3.509649496         5.400386673    
H         0.1444671321        -1.540658222         6.046518641    
C         0.4288916756       -0.5205402172         5.758118098    
C          1.388881255       -0.3265767778         4.544270088    
C         0.9070449351        0.9197172493         3.740692758    
C        -0.3575455279         1.489908624         4.453803054    
C        -0.6514498442        0.6017548012         5.702651279    
C         0.2678642417         1.529191247         6.578209648    
C          1.346993760        0.4047266391         6.634209827    
C          2.309803193        0.5981707654         5.422903420    
C         0.5605048662         2.417716809         5.332068946    
C          1.823569179         1.844568514         4.621451094    
    20
Energy=    -1735.53483844900    
H        -0.5007214378E-01     1.999710187         7.515071470    
H         -1.695634896        0.3671796416         5.951865099    
H          1.746595790        0.1125943262         7.611956753    
H          3.391288622        0.4374288234         5.548646286    
H          1.744578260        -1.213412092         4.010095242    
H         0.9457114092        0.9069954228         2.640360011    
H          2.562071524         2.536123761         4.205448590    
H         -1.196030673         1.858655690         3.854919019    
H         0.4388086489         3.509531626         5.400706553    
H         0.1438878726        -1.540371538         6.046634152    
C         0.4285257164       -0.5203691784         5.758053518    
C          1.388479205       -0.3267475522         4.544080640    
C         0.9069659101        0.9197773886         3.740568656    
C        -0.3574050270         1.490269569         4.453870883    
C        -0.6515324897        0.6021854273         5.702730085    
C         0.2681883560         1.529215196         6.578278071    
C          1.346988689        0.4045050521         6.634115960    
C          2.309782185        0.5976911374         5.422728486    
C         0.5609779316         2.417693893         5.332168736    
C          1.823929902         1.844340374         4.621331456    
    20
Energy=    -1735.53484425400    
H        -0.4937187873E-01     1.999662955         7.515247813    
H         -1.695729346        0.3680855283         5.952028933    
H          1.746518774        0.1122009103         7.611693246    
H          3.391261011        0.4366583210         5.548371193    
H          1.743879173        -1.213740647         4.009949549    
H         0.9454455604        0.9070439303         2.640282242    
H          2.562351214         2.535784549         4.205518744    
H         -1.195946273         1.859313528         3.855303654    
H         0.4392897434         3.509594928         5.400966373    
H         0.1433754795        -1.540093886         6.046655127    
C         0.4281621009       -0.5202716840         5.757972038    
C          1.388063850       -0.3269028499         4.543873599    
C         0.9068017617        0.9198286163         3.740552337    
C        -0.3573146304         1.490661299         4.454022603    
C        -0.6515156995        0.6026296378         5.702826566    
C         0.2685566768         1.529296435         6.578370832    
C          1.347034019        0.4042664537         6.633934470    
C          2.309750091        0.5972078120         5.422488993    
C         0.5614127268         2.417731291         5.332281672    
C          1.824087374         1.844040938         4.621291076    
    20
Energy=    -1735.53484567000    
H        -0.4922896273E-01     1.999671055         7.515285764    
H         -1.695739061        0.3682785070         5.952056168    
H          1.746518207        0.1121035287         7.611642077    
H          3.391238866        0.4365076094         5.548301417    
H          1.743737797        -1.213803629         4.009920578    
H         0.9453980648        0.9070554150         2.640289021    
H          2.562402219         2.535697564         4.205537460    
H         -1.195922994         1.859454010         3.855377586    
H         0.4394004889         3.509629490         5.401015764    
H         0.1432633319        -1.540072996         6.046657243    
C         0.4280897796       -0.5202410554         5.757947901    
C          1.387964200       -0.3269412311         4.543841831    
C         0.9067638389        0.9198394568         3.740536817    
C        -0.3572845761         1.490750494         4.454063739    
C        -0.6515318483        0.6027174805         5.702860634    
C         0.2686477259         1.529303885         6.578369926    
C          1.347027684        0.4042107597         6.633879438    
C          2.309744807        0.5970964763         5.422443000    
C         0.5615030135         2.417756155         5.332315290    
C          1.824121067         1.843985365         4.621289678    
    20
Energy=    -1735.53485088500    
H        -0.4833332707E-01     1.999792324         7.515430946    
H         -1.695794787        0.3693770206         5.952237053    
H          1.746597540        0.1114598602         7.611229719    
H          3.391108126        0.4356774208         5.547785976    
H          1.742991062        -1.214177008         4.009793214    
H         0.9451349685        0.9070724048         2.640337707    
H          2.562645537         2.535213968         4.205671856    
H         -1.195858904         1.860235134         3.855904145    
H         0.4400581432         3.509935783         5.401276263    
H         0.1426391086        -1.539971699         6.046606242    
C         0.4276236211       -0.5201889700         5.757820755    
C          1.387372373       -0.3271533875         4.543635285    
C         0.9065100540        0.9199010208         3.740552999    
C        -0.3571542757         1.491299379         4.454332466    
C        -0.6515462824        0.6032482256         5.703064087    
C         0.2691743438         1.529411821         6.578438935    
C          1.347045383        0.4038502475         6.633571610    
C          2.309661190        0.5964641529         5.422117504    
C         0.5620284179         2.417928208         5.332511607    
C          1.824224199         1.843622288         4.621310662    
    20
Energy=    -1735.53485332000    
H        -0.4790857385E-01     1.999968282         7.515554109    
H         -1.695907122        0.3698423863         5.952381120    
H          1.746743559        0.1110423964         7.611057345    
H          3.390999859        0.4353943990         5.547408797    
H          1.742665512        -1.214290122         4.009704808    
H         0.9450284720        0.9071135876         2.640372308    
H          2.562819317         2.535030160         4.205621333    
H         -1.195860205         1.860581469         3.856110732    
H         0.4404549978         3.510047900         5.401369916    
H         0.1423719521        -1.540075756         6.046525093    
C         0.4273943463       -0.5202256491         5.757824540    
C          1.387118782       -0.3272558319         4.543559223    
C         0.9063908654        0.9199457064         3.740577550    
C        -0.3571359809         1.491500788         4.454472683    
C        -0.6515342984        0.6034558747         5.703175051    
C         0.2693794691         1.529428336         6.578509119    
C          1.347060179        0.4036476207         6.633553185    
C          2.309511813        0.5962590616         5.421982373    
C         0.5622390199         2.418056950         5.332594184    
C          1.824300000         1.843531810         4.621275724    
    20
Energy=    -1735.53485444300    
H        -0.4750008546E-01     2.000270305         7.515638460    
H         -1.695989405        0.3702097158         5.952562523    
H          1.747060511        0.1104787395         7.610946906    
H          3.390778554        0.4353104869         5.546852835    
H          1.742456900        -1.214324248         4.009594074    
H         0.9449544704        0.9071848230         2.640436586    
H          2.563016953         2.534897237         4.205451761    
H         -1.195891310         1.860822495         3.856291237    
H         0.4409018436         3.510248549         5.401419400    
H         0.1421824740        -1.540334350         6.046341219    
C         0.4272042949       -0.5204171014         5.757881818    
C          1.386851770       -0.3272651719         4.543562077    
C         0.9062714978        0.9199945834         3.740639190    
C        -0.3571771535         1.491685311         4.454596082    
C        -0.6516566770        0.6035546561         5.703366454    
C         0.2695240555         1.529503384         6.578719803    
C          1.347048736        0.4034462619         6.633558244    
C          2.309384371        0.5961416754         5.421879090    
C         0.5624250367         2.418060844         5.332657528    
C          1.824289442         1.843532529         4.621235375    
    20
Energy=    -1735.53485560700    
H        -0.4764854865E-01     2.000223314         7.515629813    
H         -1.695981608        0.3700430886         5.952537850    
H          1.746992976        0.1106206852         7.610988029    
H          3.390859681        0.4354029650         5.546973782    
H          1.742553507        -1.214244947         4.009631064    
H         0.9449766970        0.9071816721         2.640414187    
H          2.562937556         2.534942423         4.205466332    
H         -1.195896975         1.860700825         3.856216879    
H         0.4407686848         3.510142615         5.401393185    
H         0.1422798569        -1.540288931         6.046360921    
C         0.4272831660       -0.5203427068         5.757867082    
C          1.386952100       -0.3272481931         4.543568837    
C         0.9062959411        0.9199805455         3.740618222    
C        -0.3571818073         1.491591037         4.454575246    
C        -0.6516151159        0.6034971123         5.703337096    
C         0.2694640199         1.529460453         6.578652442    
C          1.347061953        0.4035084697         6.633599917    
C          2.309405821        0.5962266001         5.421911735    
C         0.5623333155         2.418049790         5.332650764    
C          1.824292965         1.843553465         4.621237137    
    20
Energy=    -1735.53485585700    
H        -0.4768122576E-01     2.000222791         7.515624668    
H         -1.695980309        0.3699915389         5.952549532    
H          1.746983044        0.1106380642         7.610997311    
H          3.390888589        0.4354417158         5.546978579    
H          1.742585202        -1.214205277         4.009636998    
H         0.9449731742        0.9071900040         2.640407320    
H          2.562906243         2.534947446         4.205459689    
H         -1.195901144         1.860655622         3.856203077    
H         0.4407367259         3.510099988         5.401390404    
H         0.1423177588        -1.540270394         6.046345703    
C         0.4273065562       -0.5203254517         5.757864775    
C          1.386973851       -0.3272245972         4.543572491    
C         0.9062924749        0.9199793838         3.740611308    
C        -0.3571927381         1.491560755         4.454578819    
C        -0.6516053913        0.6034796879         5.703341343    
C         0.2694495535         1.529450282         6.578655890    
C          1.347072754        0.4035248550         6.633605826    
C          2.309418476        0.5962516018         5.421916382    
C         0.5623085717         2.418037942         5.332653102    
C          1.824281817         1.843554214         4.621237467    
    20
Energy=    -1735.53485649000    
H        -0.4768893068E-01     2.000285392         7.515644027    
H         -1.695975233        0.3699093144         5.952645872    
H          1.747001982        0.1105677598         7.610986462    
H          3.390957281        0.4355382562         5.546859827    
H          1.742633069        -1.214070122         4.009628222    
H         0.9449212736        0.9072424161         2.640391545    
H          2.562823823         2.534919846         4.205406520    
H         -1.195929005         1.860559790         3.856214677    
H         0.4407164978         3.510003199         5.401410732    
H         0.1424015878        -1.540247551         6.046247260    
C         0.4273527276       -0.5202704324         5.757855691    
C          1.386987878       -0.3271574453         4.543563282    
C         0.9062384003        0.9199934402         3.740606874    
C        -0.3572353781         1.491506930         4.454629721    
C        -0.6516106748        0.6034492524         5.703410569    
C         0.2694601072         1.529423454         6.578693526    
C          1.347123188        0.4035290420         6.633626348    
C          2.309446526        0.5962968142         5.421899741    
C         0.5622737329         2.417969712         5.332681627    
C          1.824234559         1.843551862         4.621226610    
    20
Energy=    -1735.53485680400    
H        -0.4757218838E-01     2.000373189         7.515668399    
H         -1.695980703        0.3699001959         5.952812970    
H          1.747063936        0.1103800234         7.610955649    
H          3.391007483        0.4355874178         5.546617729    
H          1.742630833        -1.213988397         4.009560586    
H         0.9448090127        0.9073217266         2.640404419    
H          2.562756451         2.534879889         4.205326783    
H         -1.195990046         1.860529652         3.856300134    
H         0.4407573175         3.509927872         5.401480394    
H         0.1424487900        -1.540234430         6.046110183    
C         0.4273653437       -0.5202761747         5.757852644    
C          1.386943919       -0.3270733136         4.543544113    
C         0.9061566424        0.9200146424         3.740593331    
C        -0.3573068615         1.491497372         4.454713249    
C        -0.6515847146        0.6034575147         5.703502199    
C         0.2695169781         1.529417998         6.578809107    
C          1.347187131        0.4034909409         6.633598123    
C          2.309468007        0.5963016481         5.421838821    
C         0.5622744768         2.417969412         5.332728584    
C          1.824182263         1.843525206         4.621211694    
    20
Energy=    -1735.53485722900    
H        -0.4752719273E-01     2.000396938         7.515690007    
H         -1.695961552        0.3699178172         5.952854609    
H          1.747080942        0.1103239204         7.610934897    
H          3.391011024        0.4355855421         5.546546132    
H          1.742614039        -1.213971873         4.009542363    
H         0.9447743877        0.9073424585         2.640400672    
H          2.562744474         2.534868773         4.205307603    
H         -1.196013178         1.860537731         3.856333611    
H         0.4407728948         3.509946692         5.401507376    
H         0.1424459994        -1.540245916         6.046081161    
C         0.4273685002       -0.5202664238         5.757843770    
C          1.386931297       -0.3270810443         4.543522292    
C         0.9061281616        0.9200278003         3.740610100    
C        -0.3573135624         1.491512557         4.454736017    
C        -0.6516042913        0.6034601835         5.703537780    
C         0.2695487820         1.529417204         6.578816103    
C          1.347207085        0.4034712395         6.633601685    
C          2.309474249        0.5962934112         5.421818574    
C         0.5622867882         2.417935440         5.332741546    
C          1.824165841         1.843530193         4.621203373    
    20
Energy=    -1735.53485760800    
H        -0.4739813330E-01     2.000441531         7.515734133    
H         -1.695933920        0.3699743207         5.952953579    
H          1.747126116        0.1101866486         7.610890690    
H          3.391011318        0.4355592760         5.546379115    
H          1.742563597        -1.213973206         4.009483921    
H         0.9446893060        0.9073889042         2.640409790    
H          2.562728240         2.534851591         4.205266733    
H         -1.196070039         1.860581993         3.856424042    
H         0.4408193200         3.509985728         5.401576466    
H         0.1424244587        -1.540275103         6.046023646    
C         0.4273616144       -0.5202711223         5.757828399    
C          1.386888535       -0.3270922743         4.543480089    
C         0.9060695439        0.9200519637         3.740627763    
C        -0.3573386628         1.491555803         4.454789484    
C        -0.6516119925        0.6034808860         5.703603777    
C         0.2696234405         1.529416309         6.578847762    
C          1.347246309        0.4034199418         6.633587629    
C          2.309476819        0.5962632548         5.421763226    
C         0.5623174732         2.417924013         5.332773871    
C          1.824142998         1.843532908         4.621186518    
    20
Energy=    -1735.53485800900    
H        -0.4720180877E-01     2.000487776         7.515797925    
H         -1.695898526        0.3700496988         5.953099474    
H          1.747188942        0.1099980737         7.610823949    
H          3.391018971        0.4355131172         5.546144207    
H          1.742484869        -1.213985492         4.009392858    
H         0.9445613483        0.9074581345         2.640424662    
H          2.562700587         2.534839471         4.205210570    
H         -1.196160238         1.860653230         3.856563963    
H         0.4408783193         3.510030299         5.401685476    
H         0.1423928833        -1.540315112         6.045950384    
C         0.4273491521       -0.5202842354         5.757804403    
C          1.386828882       -0.3271110274         4.543414090    
C         0.9059838923        0.9200866019         3.740643764    
C        -0.3573785709         1.491615054         4.454873075    
C        -0.6515925485        0.6035152930         5.703689786    
C         0.2697304772         1.529407111         6.578891336    
C          1.347306898        0.4033445648         6.633560455    
C          2.309470612        0.5962205839         5.421674554    
C         0.5623545751         2.417945285         5.332826017    
C          1.824119298         1.843536001         4.621161325    
    20
Energy=    -1735.53485864000    
H        -0.4686836243E-01     2.000462114         7.515896405    
H         -1.695804127        0.3701408737         5.953318795    
H          1.747285462        0.1097574759         7.610717611    
H          3.391031895        0.4354227737         5.545807940    
H          1.742344678        -1.214027727         4.009228276    
H         0.9443460993        0.9075828277         2.640429909    
H          2.562640791         2.534871556         4.205130369    
H         -1.196314632         1.860765735         3.856830010    
H         0.4409228112         3.510096777         5.401897902    
H         0.1423544483        -1.540347361         6.045875719    
C         0.4273465772       -0.5203291966         5.757753577    
C          1.386723970       -0.3271101985         4.543301830    
C         0.9058461250        0.9201505781         3.740642149    
C        -0.3574516361         1.491717286         4.455005999    
C        -0.6515450560        0.6035522901         5.703816385    
C         0.2699011787         1.529383842         6.578970403    
C          1.347406810        0.4032419736         6.633460898    
C          2.309493246        0.5961488171         5.421511739    
C         0.5624079084         2.417979231         5.332918207    
C          1.824073370         1.843548863         4.621119827    
    20
Energy=    -1735.53485942000    
H        -0.4640915618E-01     2.000362626         7.516071495    
H         -1.695686716        0.3702296628         5.953617140    
H          1.747406890        0.1094863141         7.610535805    
H          3.391082096        0.4352850226         5.545376296    
H          1.742126322        -1.214053512         4.009005082    
H         0.9440463583        0.9077685729         2.640415474    
H          2.562528610         2.534939523         4.205033023    
H         -1.196549468         1.860925782         3.857213240    
H         0.4409536129         3.510142426         5.402217258    
H         0.1423141636        -1.540387304         6.045807867    
C         0.4273518639       -0.5203483012         5.757673363    
C          1.386603971       -0.3271417724         4.543104843    
C         0.9056440379        0.9202588345         3.740629176    
C        -0.3575350218         1.491833934         4.455210697    
C        -0.6514312977        0.6036008232         5.703974473    
C         0.2701442168         1.529305633         6.579031545    
C          1.347573202        0.4030924869         6.633344765    
C          2.309489657        0.5960725188         5.421265240    
C         0.5624586005         2.418061448         5.333061609    
C          1.824035494         1.843580363         4.621047238    
    20
Energy=    -1735.53486002000    
H        -0.4631141641E-01     2.000223122         7.516128551    
H         -1.695652696        0.3702007566         5.953657974    
H          1.747439137        0.1095103498         7.610490495    
H          3.391095474        0.4352468966         5.545331343    
H          1.742064233        -1.214051764         4.008937872    
H         0.9439823445        0.9078311780         2.640385446    
H          2.562484448         2.534998720         4.205022726    
H         -1.196605959         1.860954393         3.857325879    
H         0.4409130510         3.510118827         5.402323598    
H         0.1423307001        -1.540357912         6.045837429    
C         0.4273740667       -0.5203602267         5.757653286    
C          1.386578305       -0.3271116284         4.543049653    
C         0.9056060298        0.9203000236         3.740600960    
C        -0.3575548201         1.491851181         4.455247184    
C        -0.6513964081        0.6035912185         5.703990045    
C         0.2701911196         1.529267790         6.579055032    
C          1.347621683        0.4030778692         6.633275913    
C          2.309509608        0.5960663893         5.421195487    
C         0.5624629646         2.418064122         5.333099423    
C          1.824017761         1.843596102         4.621027186    
    20
Energy=    -1735.53486083800    
H        -0.4611898100E-01     1.999833909         7.516305011    
H         -1.695569385        0.3700998183         5.953713900    
H          1.747534588        0.1096239087         7.610380402    
H          3.391119761        0.4351712584         5.545256476    
H          1.741917826        -1.214002421         4.008776229    
H         0.9438530450        0.9079962241         2.640299456    
H          2.562369402         2.535142788         4.205005799    
H         -1.196733269         1.861013526         3.857575708    
H         0.4408038703         3.510047246         5.402581225    
H         0.1423919154        -1.540289481         6.045930454    
C         0.4274495241       -0.5203487804         5.757589822    
C          1.386531131       -0.3270475068         4.542912834    
C         0.9055214108        0.9204066532         3.740522541    
C        -0.3575907950         1.491882779         4.455326492    
C        -0.6513653941        0.6035367145         5.704033641    
C         0.2702931911         1.529156633         6.579079486    
C          1.347736682        0.4030592142         6.633131121    
C          2.309569211        0.5960694496         5.421038897    
C         0.5624562834         2.418015794         5.333197639    
C          1.823984745         1.843655714         4.620976758    
    20
Energy=    -1735.53486102700    
H        -0.4596895111E-01     1.999519464         7.516499421    
H         -1.695629096        0.3699835619         5.953767200    
H          1.747719619        0.1096464279         7.610299227    
H          3.391151571        0.4351586961         5.545085735    
H          1.741830714        -1.213904519         4.008566279    
H         0.9437599706        0.9081905508         2.640237876    
H          2.562304134         2.535241619         4.204943994    
H         -1.196838600         1.861089127         3.857730378    
H         0.4407911152         3.509958645         5.402796592    
H         0.1424953071        -1.540262633         6.045929751    
C         0.4274794349       -0.5203908019         5.757561171    
C          1.386508099       -0.3269629877         4.542804431    
C         0.9054488439        0.9204996884         3.740524766    
C        -0.3576671006         1.491895013         4.455411336    
C        -0.6512923726        0.6034967738         5.704063831    
C         0.2703112411         1.529061376         6.579183984    
C          1.347842866        0.4030357817         6.633064240    
C          2.309549178        0.5961044632         5.420910245    
C         0.5624292569         2.417995220         5.333289514    
C          1.823932271         1.843670980         4.620962960    
    20
Energy=    -1735.53486168700    
H        -0.4597177642E-01     1.999545032         7.516510303    
H         -1.695611609        0.3699959842         5.953767052    
H          1.747728314        0.1096219998         7.610296569    
H          3.391141664        0.4351669217         5.545060461    
H          1.741835121        -1.213893146         4.008563527    
H         0.9437590881        0.9081948286         2.640258389    
H          2.562297651         2.535219679         4.204944275    
H         -1.196837506         1.861091233         3.857725044    
H         0.4408067770         3.509968869         5.402792574    
H         0.1424904820        -1.540286187         6.045915379    
C         0.4274883969       -0.5203727564         5.757556737    
C          1.386502625       -0.3269782555         4.542806975    
C         0.9054390928        0.9205003445         3.740510253    
C        -0.3576642209         1.491899391         4.455415439    
C        -0.6513360180        0.6034897364         5.704083586    
C         0.2703232639         1.529057023         6.579172983    
C          1.347837537        0.4030259785         6.633075575    
C          2.309560365        0.5960974438         5.420919048    
C         0.5624288248         2.417993962         5.333298640    
C          1.823939208         1.843688310         4.620960392    
    20
Energy=    -1735.53486226000    
H        -0.4594144600E-01     1.999464567         7.516607701    
H         -1.695624005        0.3699586806         5.953772914    
H          1.747830245        0.1095880394         7.610267132    
H          3.391135743        0.4351938553         5.544946077    
H          1.741826345        -1.213819556         4.008469435    
H         0.9437363266        0.9082854044         2.640270786    
H          2.562268069         2.535214656         4.204918031    
H         -1.196864669         1.861120597         3.857754299    
H         0.4408376871         3.509956541         5.402861346    
H         0.1425360380        -1.540323362         6.045877745    
C         0.4275139321       -0.5203677895         5.757543332    
C          1.386488608       -0.3269606026         4.542776578    
C         0.9053995759        0.9205385931         3.740504336    
C        -0.3576931427         1.491909223         4.455450236    
C        -0.6513860773        0.6034564860         5.704124268    
C         0.2703318899         1.529014047         6.579206714    
C          1.347864545        0.4030027557         6.633078032    
C          2.309565768        0.5961078283         5.420893159    
C         0.5624132670         2.417967623         5.333350099    
C          1.823918883         1.843719440         4.620960893    
    20
Energy=    -1735.53486279300    
H        -0.4586812003E-01     1.999260282         7.516788527    
H         -1.695653870        0.3698647239         5.953790746    
H          1.748016562        0.1095463042         7.610199440    
H          3.391141858        0.4352347547         5.544739928    
H          1.741800278        -1.213683685         4.008279919    
H         0.9436825968        0.9084693905         2.640274723    
H          2.562202922         2.535236241         4.204871808    
H         -1.196925503         1.861179056         3.857836572    
H         0.4408710690         3.509925226         5.403018792    
H         0.1426328355        -1.540375200         6.045818809    
C         0.4275577448       -0.5203823668         5.757515577    
C          1.386462129       -0.3269084440         4.542702413    
C         0.9053231536        0.9206226242         3.740506480    
C        -0.3577535623         1.491928768         4.455525069    
C        -0.6514226004        0.6033964668         5.704183097    
C         0.2703466467         1.528923804         6.579283283    
C          1.347930997        0.4029586247         6.633057812    
C          2.309565206        0.5961341832         5.420820170    
C         0.5623810282         2.417931794         5.333453712    
C          1.823866779         1.843766332         4.620965905    
    20
Energy=    -1735.53486357800    
H        -0.4578587094E-01     1.998969040         7.516990400    
H         -1.695648657        0.3697112978         5.953812544    
H          1.748232409        0.1094615070         7.610088978    
H          3.391164137        0.4353098354         5.544443540    
H          1.741796824        -1.213489180         4.008017047    
H         0.9436053106        0.9087392937         2.640307712    
H          2.562081959         2.535271821         4.204841467    
H         -1.196994000         1.861247533         3.857968588    
H         0.4408879591         3.509925269         5.403256312    
H         0.1427694157        -1.540475769         6.045706616    
C         0.4276199318       -0.5204467982         5.757460495    
C          1.386417938       -0.3268171472         4.542592408    
C         0.9052077256        0.9207573775         3.740524017    
C        -0.3578352229         1.491973911         4.455647716    
C        -0.6514315567        0.6033065516         5.704251706    
C         0.2703770514         1.528790372         6.579398674    
C          1.348023535        0.4028721974         6.632991252    
C          2.309572209        0.5961647173         5.420708411    
C         0.5623310666         2.417924625         5.333625484    
C          1.823767984         1.843833380         4.620999993    
    20
Energy=    -1735.53486387400    
H        -0.4576459589E-01     1.998875480         7.517055851    
H         -1.695644223        0.3696567722         5.953821920    
H          1.748292390        0.1094279528         7.610048335    
H          3.391176509        0.4353354524         5.544347587    
H          1.741798347        -1.213421088         4.007934396    
H         0.9435788293        0.9088299491         2.640315542    
H          2.562039832         2.535289382         4.204837042    
H         -1.197020141         1.861269992         3.858012843    
H         0.4408877062         3.509930065         5.403339083    
H         0.1428121972        -1.540514871         6.045664382    
C         0.4276395014       -0.5204638187         5.757435011    
C          1.386411592       -0.3267958859         4.542547900    
C         0.9051708678        0.9208051801         3.740541652    
C        -0.3578563653         1.491989035         4.455693566    
C        -0.6514215361        0.6032773598         5.704271806    
C         0.2703888165         1.528741643         6.579423770    
C          1.348056197        0.4028393499         6.632975791    
C          2.309566086        0.5961780953         5.420669447    
C         0.5623125129         2.417924404         5.333682971    
C          1.823736248         1.843855893         4.621014427    
    20
Energy=    -1735.53486560800    
H        -0.4560093161E-01     1.998086686         7.517530407    
H         -1.695553963        0.3691925401         5.953898863    
H          1.748753027        0.1091156158         7.609725817    
H          3.391267832        0.4355619628         5.543553663    
H          1.741848540        -1.212887270         4.007239491    
H         0.9433530639        0.9095919411         2.640419350    
H          2.561674839         2.535451178         4.204830230    
H         -1.197217854         1.861439304         3.858404587    
H         0.4408563462         3.509991972         5.404043980    
H         0.1431641290        -1.540835715         6.045281115    
C         0.4278085813       -0.5206724975         5.757213462    
C          1.386341994       -0.3265658394         4.542202627    
C         0.9048762588        0.9212033733         3.740653135    
C        -0.3580503254         1.492133030         4.456064073    
C        -0.6513323201        0.6030253172         5.704425289    
C         0.2704846943         1.528355156         6.579684610    
C          1.348311951        0.4025607382         6.632783112    
C          2.309559747        0.5962699638         5.420351814    
C         0.5621639820         2.417965261         5.334171482    
C          1.823458583         1.844051849         4.621157239    
    20
Energy=    -1735.53486774800    
H        -0.4545995204E-01     1.997214518         7.518030061    
H         -1.695378342        0.3686682634         5.954037999    
H          1.749148593        0.1086510247         7.609415233    
H          3.391343245        0.4357969125         5.542736556    
H          1.741939560        -1.212364026         4.006468691    
H         0.9430678981        0.9104670798         2.640522872    
H          2.561301007         2.535758842         4.204885438    
H         -1.197505019         1.861620476         3.858886595    
H         0.4407467846         3.510024193         5.404917436    
H         0.1434974496        -1.541164694         6.044763677    
C         0.4280421323       -0.5208602878         5.756900520    
C          1.386339593       -0.3263184004         4.541798684    
C         0.9046134980        0.9216575838         3.740712498    
C        -0.3582420471         1.492280799         4.456434954    
C        -0.6512686997        0.6027356105         5.704573089    
C         0.2706033821         1.527921432         6.579930888    
C          1.348564251        0.4022414451         6.632580576    
C          2.309592415        0.5963762263         5.420041514    
C         0.5620031749         2.417991272         5.334689538    
C          1.823221570         1.844338503         4.621307851    
    20
Energy=    -1735.53488013300    
H        -0.4474208970E-01     1.992544489         7.520563504    
H         -1.694456714        0.3658211570         5.954882463    
H          1.751050353        0.1060003890         7.607795602    
H          3.391805542        0.4370076868         5.538521927    
H          1.742483443        -1.209663255         4.002382982    
H         0.9415155448        0.9151799971         2.640956377    
H          2.559391211         2.537621852         4.205279429    
H         -1.199084749         1.862559287         3.861543772    
H         0.4400363548         3.510132447         5.409717245    
H         0.1452186221        -1.542797725         6.041826912    
C         0.4292445733       -0.5219522152         5.755175357    
C          1.386416290       -0.3249286116         4.539594215    
C         0.9033203557        0.9241101535         3.741071685    
C        -0.3592933722         1.493071243         4.458343071    
C        -0.6507117613        0.6012321493         5.705234986    
C         0.2711789551         1.525622032         6.581308480    
C          1.349909923        0.4005091060         6.631494655    
C          2.309753029        0.5969909410         5.418388990    
C         0.5611703893         2.418124039         5.337412879    
C          1.821970917         1.845858053         4.622141228    
    20
Energy=    -1735.53488725800    
H        -0.4437994883E-01     1.990154360         7.521856886    
H         -1.693965387        0.3643636316         5.955328195    
H          1.751981014        0.1045994481         7.606967286    
H          3.392063592        0.4376045887         5.536431618    
H          1.742760375        -1.208274589         4.000311348    
H         0.9407244732        0.9176139013         2.641136363    
H          2.558429962         2.538613160         4.205525225    
H         -1.199911792         1.863036112         3.862914968    
H         0.4396433223         3.510147882         5.412217079    
H         0.1460725977        -1.543613333         6.040277198    
C         0.4298586225       -0.5224793734         5.754261999    
C          1.386460860       -0.3242131850         4.538454898    
C         0.9026707937        0.9253808899         3.741212527    
C        -0.3598186878         1.493472789         4.459312250    
C        -0.6504345370        0.6004598352         5.705562572    
C         0.2714762321         1.524417145         6.581999732    
C          1.350597361        0.3996104960         6.630939247    
C          2.309856420        0.5973136331         5.417547627    
C         0.5607423511         2.418182073         5.338815433    
C          1.821351976         1.846657083         4.622563411    
    20
Energy=    -1735.53489627700    
H        -0.4394764288E-01     1.987284075         7.523394636    
H         -1.693370870        0.3626173812         5.955869859    
H          1.753071604        0.1028823242         7.605977826    
H          3.392375268        0.4383034981         5.533983623    
H          1.743092190        -1.206610914         3.997837206    
H         0.9397810573        0.9205371890         2.641317202    
H          2.557299281         2.539835145         4.205854503    
H         -1.200909965         1.863604960         3.864560655    
H         0.4391468479         3.510152116         5.415248740    
H         0.1470760319        -1.544569287         6.038379224    
C         0.4305939620       -0.5231063308         5.753148001    
C          1.386521457       -0.3233282422         4.537081337    
C         0.9019064714        0.9269167561         3.741369658    
C        -0.3604484328         1.493959525         4.460458801    
C        -0.6501007551        0.5995379740         5.705942018    
C         0.2718299270         1.522972635         6.582834304    
C          1.351414367        0.3985273227         6.630262872    
C          2.309996187        0.5976993183         5.416546801    
C         0.5602353318         2.418215269         5.340496460    
C          1.820618364         1.847620371         4.623073516    
    20
Energy=    -1735.53490202100    
H        -0.4372534462E-01     1.985796059         7.524190818    
H         -1.693063789        0.3617108805         5.956157257    
H          1.753618107        0.1019637985         7.605453910    
H          3.392543539        0.4386534481         5.532755090    
H          1.743260100        -1.205737000         3.996556944    
H         0.9392969048        0.9220353029         2.641408022    
H          2.556721712         2.540493907         4.206056315    
H         -1.201435975         1.863904517         3.865409677    
H         0.4388731498         3.510110146         5.416848034    
H         0.1475833568        -1.545054531         6.037363065    
C         0.4309700534       -0.5234175311         5.752550686    
C          1.386565088       -0.3228708533         4.536357360    
C         0.9015205358        0.9277234212         3.741418875    
C        -0.3607731491         1.494205751         4.461051475    
C        -0.6499166355        0.5990636966         5.706127411    
C         0.2720148950         1.522205360         6.583259080    
C          1.351839421        0.3979559915         6.629923377    
C          2.310062339        0.5979067032         5.416032433    
C         0.5599656198         2.418276362         5.341375515    
C          1.820262265         1.848126433         4.623341971    
    20
Energy=    -1735.53491405300    
H        -0.4328423165E-01     1.982846375         7.525757636    
H         -1.692448700        0.3599201369         5.956726292    
H          1.754692991        0.1001292174         7.604425814    
H          3.392874627        0.4393382029         5.530351695    
H          1.743594042        -1.204012994         3.994025265    
H         0.9383431102        0.9250036194         2.641554413    
H          2.555594529         2.541812386         4.206469346    
H         -1.202475815         1.864493355         3.867092440    
H         0.4383175731         3.510053626         5.420030119    
H         0.1485781850        -1.546001983         6.035334294    
C         0.4317147618       -0.5240355728         5.751362562    
C          1.386644629       -0.3219412383         4.534926919    
C         0.9007633346        0.9293248839         3.741538194    
C        -0.3614130359         1.494706808         4.462210218    
C        -0.6495606218        0.5981261465         5.706489766    
C         0.2723763791         1.520697058         6.584109689    
C          1.352672375        0.3968269031         6.629232144    
C          2.310212167        0.5983138179         5.415018000    
C         0.5594446078         2.418319087         5.343108961    
C          1.819543454         1.849134267         4.623873563    
    20
Energy=    -1735.53492342400    
H        -0.4297842771E-01     1.980866742         7.526806962    
H         -1.692040664        0.3587279939         5.957106923    
H          1.755405377        0.9887503265E-01     7.603723736    
H          3.393109185        0.4397746613         5.528803091    
H          1.743802941        -1.202834999         3.992329800    
H         0.9377109663        0.9269694574         2.641626601    
H          2.554860919         2.542718455         4.206782147    
H         -1.203170846         1.864891824         3.868213995    
H         0.4379304878         3.509978275         5.422198567    
H         0.1492314459        -1.546616129         6.033939366    
C         0.4322016748       -0.5244298019         5.750551681    
C          1.386691466       -0.3213074825         4.533964786    
C         0.9002621291        0.9304069523         3.741589571    
C        -0.3618404254         1.495044643         4.462977403    
C        -0.6493282718        0.5975034545         5.706720416    
C         0.2726148962         1.519666287         6.584680510    
C          1.353231887        0.3960609931         6.628771287    
C          2.310324246        0.5985951739         5.414338056    
C         0.5590944527         2.418344760         5.344281637    
C          1.819074504         1.849817939         4.624229122    
    20
Energy=    -1735.53495012700    
H        -0.4121816593E-01     1.970376065         7.532208188    
H         -1.690150010        0.3525014500         5.959252189    
H          1.758974723        0.9200641689E-01     7.600126136    
H          3.394528389        0.4418212803         5.521309245    
H          1.744766617        -1.196686622         3.983499206    
H         0.9343552896        0.9370076967         2.641460063    
H          2.551269281         2.547867070         4.208716953    
H         -1.206934489         1.867039722         3.874188487    
H         0.4356961292         3.509235243         5.433943194    
H         0.1524750972        -1.549434558         6.026279914    
C         0.4346388072       -0.5265583302         5.746174150    
C          1.387005523       -0.3175596647         4.528808159    
C         0.8977601311        0.9362447558         3.741817135    
C        -0.3641048361         1.496832925         4.466904410    
C        -0.6477471942        0.5943684756         5.707741732    
C         0.2737941739         1.514251196         6.587876232    
C          1.356151813        0.3920877531         6.626116438    
C          2.310890875        0.6000705800         5.410787522    
C         0.5573406429         2.418246910         5.350366043    
C          1.816737049         1.853330941         4.626068505    
    20
Energy=    -1735.53500691400    
H        -0.4112857273E-01     1.970208077         7.532402676    
H         -1.689890164        0.3525461517         5.959254623    
H          1.758853755        0.9167074396E-01     7.599875668    
H          3.394544557        0.4416374780         5.521834294    
H          1.744614031        -1.196365146         3.983461007    
H         0.9343428886        0.9369730707         2.641257040    
H          2.551384959         2.548175443         4.209137730    
H         -1.207045512         1.867101380         3.874299054    
H         0.4354828277         3.508939550         5.434410335    
H         0.1522959976        -1.549385830         6.025850022    
C         0.4347042968       -0.5261435183         5.745831909    
C          1.386986702       -0.3175800005         4.528620991    
C         0.8977751835        0.9364512793         3.741340679    
C        -0.3640683349         1.496919534         4.466844563    
C        -0.6481963803        0.5942600577         5.707802982    
C         0.2739172775         1.513974100         6.587698815    
C          1.356225671        0.3918702222         6.626309850    
C          2.311213716        0.6001426614         5.410781813    
C         0.5573353537         2.418026472         5.350572376    
C          1.816890525         1.853624083         4.626058514    
    20
Energy=    -1735.53506507000    
H        -0.4142573071E-01     1.973335692         7.530677487    
H         -1.690586928        0.3546448501         5.958702698    
H          1.757428146        0.9320864858E-01     7.600924318    
H          3.394305197        0.4405140537         5.525541833    
H          1.744017468        -1.198099494         3.986309472    
H         0.9354174709        0.9333686627         2.640542885    
H          2.552977537         2.547244941         4.209296674    
H         -1.206019195         1.866546686         3.872519424    
H         0.4357770216         3.508509776         5.431437717    
H         0.1508699727        -1.547965139         6.027482541    
C         0.4338129976       -0.5251767741         5.746820884    
C          1.386904196       -0.3182660327         4.530061803    
C         0.8987659809        0.9349013689         3.740812951    
C        -0.3633177202         1.496436694         4.465389822    
C        -0.6486643027        0.5953743711         5.707252706    
C         0.2735440176         1.515444172         6.586773423    
C          1.355271663        0.3930022378         6.626975063    
C          2.311267272        0.5997309647         5.411961199    
C         0.5579856479         2.417620469         5.348725535    
C          1.817924521         1.852661623         4.625447122    
    20
Energy=    -1735.53509326300    
H        -0.4103844585E-01     1.971465885         7.531671995    
H         -1.690218466        0.3536625771         5.958976329    
H          1.758022864        0.9172594456E-01     7.600211704    
H          3.394435181        0.4407372268         5.524772415    
H          1.744094361        -1.196907491         3.984694866    
H         0.9349159277        0.9349194121         2.640415764    
H          2.552498591         2.548306763         4.210028160    
H         -1.206644425         1.867037046         3.873484973    
H         0.4352597033         3.508365349         5.433745522    
H         0.1512585305        -1.548445448         6.025781764    
C         0.4342661577       -0.5254159819         5.745885167    
C          1.386972192       -0.3174441097         4.529134303    
C         0.8984123609        0.9360145703         3.740780531    
C        -0.3636224652         1.496842001         4.465965121    
C        -0.6486056523        0.5948718313         5.707377236    
C         0.2738077640         1.514443716         6.587259143    
C          1.355648437        0.3922064659         6.626406756    
C          2.311448730        0.5999257953         5.411453491    
C         0.5577204347         2.417326407         5.349813410    
C          1.817638317         1.853396790         4.625801485    
    20
Energy=    -1735.53518257300    
H        -0.3938354011E-01     1.964468779         7.535251613    
H         -1.689152901        0.3501678309         5.959976988    
H          1.759947378        0.8579163808E-01     7.597289479    
H          3.395027908        0.4412083492         5.523040911    
H          1.744142062        -1.192237077         3.978740226    
H         0.9331770705        0.9401886993         2.639640385    
H          2.551143660         2.552736393         4.213381048    
H         -1.208887083         1.869037603         3.876995809    
H         0.4331328381         3.507144355         5.442699190    
H         0.1524058236        -1.549896607         6.018808764    
C         0.4356108692       -0.5262367509         5.742135779    
C          1.387320049       -0.3142794966         4.525510372    
C         0.8973425145        0.9403249506         3.740300425    
C        -0.3647944640         1.498372376         4.467922032    
C        -0.6481170531        0.5931650101         5.707529797    
C         0.2746629001         1.510580726         6.589172472    
C          1.357077201        0.3890750496         6.624499784    
C          2.312074104        0.6007652491         5.409638630    
C         0.5567860525         2.416606891         5.353897216    
C          1.816830720         1.856033541         4.627255699    
    20
Energy=    -1735.53534120000    
H        -0.3751493473E-01     1.956318916         7.539378052    
H         -1.688096349        0.3465872688         5.960081172    
H          1.762355092        0.7801452416E-01     7.593492182    
H          3.395102614        0.4418785910         5.521896632    
H          1.744494092        -1.186461171         3.970557388    
H         0.9319332548        0.9456397516         2.640053855    
H          2.549898696         2.557962712         4.218519400    
H         -1.210437049         1.872204904         3.880240222    
H         0.4309622762         3.506442582         5.452425237    
H         0.1534946851        -1.552711795         6.009457436    
C         0.4363817660       -0.5275674068         5.737135056    
C          1.387400963       -0.3111968773         4.521637231    
C         0.8965618804        0.9453765179         3.740551552    
C        -0.3656364687         1.500626483         4.470420840    
C        -0.6476377686        0.5911025226         5.707313776    
C         0.2752771421         1.505873014         6.591159702    
C          1.358006794        0.3851634094         6.622304072    
C          2.312115539        0.6016796017         5.408156405    
C         0.5558040890         2.416625264         5.359021520    
C          1.815974885         1.859433157         4.629924726    
    20
Energy=    -1735.53534368200    
H        -0.3350391309E-01     1.937217250         7.548219977    
H         -1.686776246        0.3390995808         5.958951691    
H          1.767391417        0.5903198857E-01     7.583915058    
H          3.394262082        0.4434662230         5.520993450    
H          1.745370199        -1.172320033         3.950477745    
H         0.9302651184        0.9572557377         2.641918882    
H          2.547964154         2.570376837         4.232217200    
H         -1.211599584         1.880431460         3.887073171    
H         0.4263915303         3.506102049         5.473568457    
H         0.1554978958        -1.559565932         5.985923378    
C         0.4371992233       -0.5329894574         5.726124574    
C          1.388242163       -0.3037197464         4.512094749    
C         0.8955690039        0.9573154904         3.743023857    
C        -0.3676500456         1.506766470         4.475364992    
C        -0.6465560684        0.5872754356         5.705640367    
C         0.2755686308         1.495808502         6.596945872    
C          1.359131209        0.3748684657         6.617718892    
C          2.311892566        0.6032255776         5.405372668    
C         0.5537408250         2.416560104         5.371059431    
C          1.814278601         1.866719968         4.637227389    
    20
Energy=    -1735.53565883600    
H        -0.3545248765E-01     1.943973999         7.545393102    
H         -1.687789592        0.3424398702         5.958058949    
H          1.765475210        0.6469283128E-01     7.586882681    
H          3.393962320        0.4429967604         5.522490492    
H          1.745265854        -1.176568904         3.956194014    
H         0.9318505337        0.9525769740         2.642725548    
H          2.549108323         2.566044478         4.228912125    
H         -1.209743084         1.878603124         3.883686196    
H         0.4285037264         3.506861197         5.464871450    
H         0.1542322379        -1.558580887         5.992874149    
C         0.4364127156       -0.5311522026         5.729475969    
C          1.387952159       -0.3067028970         4.515689472    
C         0.8964364404        0.9533262666         3.742709702    
C        -0.3660958494         1.504933144         4.473879888    
C        -0.6473242009        0.5887439122         5.705742351    
C         0.2750716964         1.498977230         6.594548563    
C          1.357710716        0.3777530592         6.619445325    
C          2.311282786        0.6023179085         5.407108601    
C         0.5544683140         2.417549236         5.367320472    
C          1.815277173         1.864158801         4.635795741    
    20
Energy=    -1735.53571225600    
H        -0.3626911143E-01     1.945612565         7.544655462    
H         -1.688302731        0.3435098960         5.957543615    
H          1.764738678        0.6594255031E-01     7.587684960    
H          3.393815368        0.4428692742         5.523128116    
H          1.745262251        -1.177415838         3.957436953    
H         0.9325058573        0.9514246928         2.642971253    
H          2.549536918         2.564835256         4.228365486    
H         -1.208769796         1.878334807         3.882689264    
H         0.4292260910         3.507284246         5.462212111    
H         0.1537575656        -1.558363482         5.994410025    
C         0.4360571180       -0.5310113595         5.730331346    
C          1.387938123       -0.3073534398         4.516573199    
C         0.8968351995        0.9523646679         3.742848801    
C        -0.3656150812         1.504594084         4.473365005    
C        -0.6476773351        0.5891525351         5.705649648    
C         0.2747336687         1.499905978         6.594220003    
C          1.357168356        0.3783197191         6.619943818    
C          2.311205408        0.6019159090         5.407749425    
C         0.5547827012         2.417571868         5.366394968    
C          1.815659064         1.863453386         4.635626287    
    20
Energy=    -1735.53590753100    
H        -0.3866665308E-01     1.941855434         7.547077256    
H         -1.690218744        0.3438113946         5.955200411    
H          1.763408151        0.6115641210E-01     7.586656842    
H          3.393940052        0.4428932899         5.524692581    
H          1.745669395        -1.172997013         3.952253508    
H         0.9341313270        0.9543427753         2.643879322    
H          2.550443625         2.566222613         4.232691392    
H         -1.205760345         1.881630156         3.882456985    
H         0.4302053103         3.507431775         5.462342749    
H         0.1527563385        -1.560625897         5.989019597    
C         0.4352341381       -0.5322803137         5.727889220    
C          1.388393367       -0.3057865108         4.515031382    
C         0.8980085899        0.9549710379         3.743672199    
C        -0.3644448102         1.505817660         4.474221147    
C        -0.6483330889        0.5886154208         5.704652765    
C         0.2736185226         1.497707822         6.595597108    
C          1.355951238        0.3752867715         6.619986281    
C          2.310998876        0.6013051690         5.408668948    
C         0.5550079508         2.417882549         5.369138548    
C          1.816302840         1.863686750         4.638702304    
    20
Energy=    -1735.53607790300    
H        -0.4093673471E-01     1.929613288         7.553170163    
H         -1.691373460        0.3416138397         5.951975865    
H          1.762904794        0.4821747339E-01     7.583281039    
H          3.394123906        0.4432353534         5.525822315    
H          1.746638785        -1.162663541         3.938760711    
H         0.9353864922        0.9634218001         2.644999232    
H          2.550520779         2.571567747         4.242745869    
H         -1.202896103         1.888600044         3.884922128    
H         0.4300001872         3.507237342         5.470356090    
H         0.1521768163        -1.565277307         5.974553381    
C         0.4349157753       -0.5348294928         5.720542352    
C          1.388844216       -0.3011116025         4.510146811    
C         0.8989677014        0.9624304448         3.744594046    
C        -0.3635519948         1.509571515         4.477046791    
C        -0.6495703057        0.5861103687         5.703153118    
C         0.2723558855         1.491430135         6.599671012    
C          1.354786958        0.3684801200         6.617662327    
C          2.311452729        0.6008315674         5.409259847    
C         0.5548184817         2.416565764         5.376788796    
C          1.817235547         1.867835496         4.644451859    
    20
Energy=    -1735.53620871300    
H        -0.4074865927E-01     1.924142202         7.555733345    
H         -1.690949709        0.3396786479         5.951784181    
H          1.763205167        0.4328529398E-01     7.581289132    
H          3.394389697        0.4433481220         5.525215314    
H          1.746865902        -1.158952379         3.933796143    
H         0.9348569288        0.9676795691         2.644826541    
H          2.550326590         2.574694419         4.245844052    
H         -1.203434256         1.890752982         3.886987512    
H         0.4291052448         3.506381678         5.475789857    
H         0.1527028054        -1.566377830         5.969106094    
C         0.4352308418       -0.5356825973         5.717570900    
C          1.389148164       -0.2991614554         4.507559553    
C         0.8987788338        0.9656850371         3.744789203    
C        -0.3639149564         1.510975953         4.478355291    
C        -0.6493218152        0.5850688581         5.702748484    
C         0.2724498973         1.488506791         6.600865431    
C          1.355333712        0.3659027564         6.616999216    
C          2.311691325        0.6013214653         5.408460267    
C         0.5544356571         2.416315243         5.379883774    
C          1.816708639         1.869299638         4.646324588    
    20
Energy=    -1735.53632297600    
H        -0.4062680748E-01     1.917204446         7.558580765    
H         -1.690255563        0.3372500069         5.951635455    
H          1.763214650        0.3719207901E-01     7.579268667    
H          3.394754255        0.4433127819         5.524286845    
H          1.747168343        -1.154882409         3.927935058    
H         0.9341277339        0.9734500704         2.644647988    
H          2.550019906         2.578357830         4.249550801    
H         -1.204390930         1.893291496         3.889676678    
H         0.4280372456         3.505084859         5.482554032    
H         0.1534339817        -1.567388371         5.963032321    
C         0.4357867765       -0.5363821314         5.714001360    
C          1.389538958       -0.2968265717         4.504492574    
C         0.8985153496        0.9695688992         3.744823452    
C        -0.3644155876         1.512642875         4.479909371    
C        -0.6486030289        0.5839348729         5.702020157    
C         0.2725631163         1.484906081         6.602271194    
C          1.355879077        0.3629623776         6.615807968    
C          2.311828070        0.6018390598         5.407527245    
C         0.5539500321         2.416089724         5.383561661    
C          1.816404171         1.871237050         4.648375549    
    20
Energy=    -1735.53643886400    
H        -0.4079205927E-01     1.913149871         7.559780122    
H         -1.689078739        0.3357899573         5.951658366    
H          1.762361797        0.3398162467E-01     7.578316396    
H          3.394818519        0.4430125751         5.523222450    
H          1.747282616        -1.153464590         3.925388657    
H         0.9334918388        0.9778844189         2.644438460    
H          2.549855490         2.580280587         4.251238693    
H         -1.205609077         1.894349166         3.891568167    
H         0.4273660805         3.504371438         5.486611313    
H         0.1540514445        -1.567264897         5.961240483    
C         0.4365042673       -0.5364827974         5.712106921    
C          1.389910932       -0.2958078440         4.502547706    
C         0.8983175226        0.9717002910         3.744618004    
C        -0.3646356030         1.513532203         4.480555536    
C        -0.6483090899        0.5833260095         5.701485894    
C         0.2728585960         1.483073217         6.602626231    
C          1.356360096        0.3614665336         6.615274991    
C          2.312166266        0.6020126614         5.406803297    
C         0.5537877934         2.415711658         5.385276716    
C          1.816255150         1.872213499         4.649213090    
    20
Energy=    -1735.53659751600    
H        -0.4283508996E-01     1.905227670         7.562109206    
H         -1.688400478        0.3336585268         5.950321990    
H          1.759376328        0.2646330743E-01     7.577173496    
H          3.395246291        0.4421539950         5.522020991    
H          1.747778730        -1.150233069         3.919352192    
H         0.9334986267        0.9876354067         2.644413975    
H          2.550050336         2.583349873         4.256041191    
H         -1.206003813         1.897369118         3.894513074    
H         0.4270437372         3.503627767         5.492691431    
H         0.1545890758        -1.567694762         5.957619929    
C         0.4370982810       -0.5374112498         5.708069444    
C          1.390499336       -0.2935606180         4.499081069    
C         0.8989482744        0.9761087899         3.744634253    
C        -0.3645675211         1.515587912         4.481619668    
C        -0.6471458176        0.5821216936         5.699763435    
C         0.2726018638         1.479395708         6.603993775    
C          1.356135499        0.3581497860         6.613326661    
C          2.312416640        0.6015353477         5.406279132    
C         0.5539390778         2.415355244         5.389031358    
C          1.816772344         1.873971832         4.651946770    
    20
Energy=    -1735.53670296000    
H        -0.4446813071E-01     1.907142015         7.560700175    
H         -1.688319995        0.3345908728         5.949439168    
H          1.756923343        0.2755473586E-01     7.578143475    
H          3.395342482        0.4413921904         5.521975816    
H          1.747760475        -1.152306307         3.921422547    
H         0.9343287328        0.9890289720         2.644533185    
H          2.550588087         2.581651018         4.255577254    
H         -1.205653503         1.896819183         3.893727505    
H         0.4280399241         3.504057442         5.490196082    
H         0.1542842799        -1.567002305         5.961785766    
C         0.4369157274       -0.5368862030         5.708856999    
C          1.390581217       -0.2950472504         4.499614956    
C         0.8995420578        0.9752748004         3.744312438    
C        -0.3636302147         1.515093620         4.481101684    
C        -0.6473692685        0.5824553669         5.699327410    
C         0.2723263562         1.480387521         6.603073919    
C          1.355638042        0.3587200711         6.613802675    
C          2.312348443        0.6007848791         5.406736776    
C         0.5542986872         2.415925682         5.387950236    
C          1.817544911         1.873180272         4.651716469    
    20
Energy=    -1735.53675087200    
H        -0.4547781446E-01     1.908491422         7.559880193    
H         -1.688685052        0.3352671626         5.948611418    
H          1.755771827        0.2801335723E-01     7.578615422    
H          3.395286505        0.4410291255         5.522261854    
H          1.747829764        -1.153276307         3.922249907    
H         0.9351376928        0.9894577423         2.644488926    
H          2.551265198         2.580735805         4.255545424    
H         -1.204709235         1.896565234         3.893065309    
H         0.4287541096         3.504859364         5.488425265    
H         0.1540128196        -1.566769238         5.963493936    
C         0.4364265499       -0.5372597257         5.709412285    
C          1.390444606       -0.2955898691         4.500058167    
C         0.9001168548        0.9747981841         3.744579634    
C        -0.3632757723         1.515144117         4.480598029    
C        -0.6477404829        0.5826569300         5.699184238    
C         0.2719120405         1.481183825         6.602907884    
C          1.355109026        0.3590306455         6.614080821    
C          2.312570577        0.6002781760         5.407133869    
C         0.5546991547         2.415684204         5.387409861    
C          1.817564393         1.872517546         4.651989026    
    20
Energy=    -1735.53676727200    
H        -0.4571132732E-01     1.908697475         7.559854477    
H         -1.689006637        0.3353802182         5.948320416    
H          1.755709276        0.2783822487E-01     7.578656328    
H          3.395315400        0.4409738367         5.522456317    
H          1.747848576        -1.153197584         3.922122847    
H         0.9354510077        0.9895089995         2.644568967    
H          2.551422574         2.580559089         4.255838021    
H         -1.204334522         1.896680447         3.892801924    
H         0.4289791464         3.504960177         5.488109492    
H         0.1538894597        -1.566984507         5.963353923    
C         0.4362654151       -0.5372681479         5.709431806    
C          1.390406257       -0.2956150376         4.500138612    
C         0.9002364683        0.9748008991         3.744620935    
C        -0.3631675015         1.515180079         4.480595940    
C        -0.6478148583        0.5827123183         5.699139347    
C         0.2717518176         1.481192416         6.602949678    
C          1.354870493        0.3589749727         6.614063436    
C          2.312472282        0.6001538256         5.407307569    
C         0.5547187082         2.415779093         5.387499415    
C          1.817712230         1.872490219         4.652162906    
    20
Energy=    -1735.53680467000    
H        -0.4666229122E-01     1.907735396         7.560322010    
H         -1.689795205        0.3352586523         5.947129682    
H          1.755174217        0.2575239474E-01     7.578253155    
H          3.395349512        0.4406693259         5.522902410    
H          1.747944334        -1.152076251         3.920437594    
H         0.9364565180        0.9913942929         2.644821401    
H          2.552056902         2.580772069         4.257803040    
H         -1.203302049         1.897690442         3.892468759    
H         0.4295817813         3.505066339         5.488606105    
H         0.1536442311        -1.567759482         5.961696227    
C         0.4358194075       -0.5375569785         5.708609396    
C          1.390415649       -0.2952491843         4.499588297    
C         0.9006741812        0.9757876538         3.744822592    
C        -0.3627520231         1.515725990         4.480874558    
C        -0.6481555118        0.5826283018         5.698712145    
C         0.2711909090         1.480496484         6.603393264    
C          1.354235648        0.3580136090         6.613981199    
C          2.312274016        0.5997920154         5.407712258    
C         0.5547827194         2.415951339         5.388547066    
C          1.818102237         1.872717048         4.653319864    
    20
Energy=    -1735.53683128200    
H        -0.4742191630E-01     1.906477885         7.561247343    
H         -1.690494191        0.3349393528         5.945725601    
H          1.755148732        0.2295896173E-01     7.577367960    
H          3.395043757        0.4403935819         5.523555911    
H          1.747954599        -1.150280671         3.918089270    
H         0.9375814077        0.9934168092         2.645234362    
H          2.552823298         2.581339572         4.260555754    
H         -1.202204810         1.898998371         3.892088723    
H         0.4301147013         3.505118059         5.490118346    
H         0.1533709635        -1.568854532         5.958624615    
C         0.4353797120       -0.5377902207         5.707235338    
C          1.390385929       -0.2946307782         4.498790914    
C         0.9011350934        0.9772062505         3.745089254    
C        -0.3623855194         1.516581500         4.481234147    
C        -0.6489576268        0.5823723473         5.698269919    
C         0.2706457676         1.479422222         6.603900118    
C          1.353596774        0.3566149559         6.613973494    
C          2.312108042        0.5994948786         5.408164079    
C         0.5548141994         2.415790780         5.389963098    
C          1.818427057         1.873230911         4.654786041    
    20
Energy=    -1735.53684932200    
H        -0.4791429151E-01     1.905761629         7.561472809    
H         -1.691001053        0.3346969507         5.944823481    
H          1.754863929        0.2118959969E-01     7.576872981    
H          3.394835218        0.4400662138         5.523976711    
H          1.747918606        -1.149456530         3.916807219    
H         0.9383089641        0.9950277754         2.645413597    
H          2.553477595         2.581718062         4.262362941    
H         -1.201618533         1.899782013         3.891837876    
H         0.4304829299         3.504986963         5.491247092    
H         0.1532501820        -1.569146536         5.957018681    
C         0.4349656443       -0.5382609541         5.706406930    
C          1.390401014       -0.2941483021         4.498243078    
C         0.9015576627        0.9780950708         3.745380760    
C        -0.3621587031         1.517079135         4.481324223    
C        -0.6490297061        0.5823363024         5.697675890    
C         0.2701745254         1.478872501         6.604448172    
C          1.353203446        0.3557804407         6.613843612    
C          2.311874291        0.5992767812         5.408390921    
C         0.5549155011         2.415844693         5.390704622    
C          1.818577396         1.873292556         4.655770779    
    20
Energy=    -1735.53686384900    
H        -0.4777886355E-01     1.905638104         7.561497390    
H         -1.690796010        0.3345606789         5.944814489    
H          1.754900491        0.2095032672E-01     7.576705520    
H          3.394678787        0.4399872301         5.524000383    
H          1.747839745        -1.149408361         3.916733864    
H         0.9382376861        0.9953194186         2.645422278    
H          2.553530857         2.581904368         4.262677950    
H         -1.201823332         1.899827894         3.891923943    
H         0.4303755609         3.504831388         5.491950339    
H         0.1532675709        -1.569036256         5.956772842    
C         0.4350241902       -0.5382443657         5.706142295    
C          1.390429160       -0.2940489684         4.498065092    
C         0.9015854847        0.9782770487         3.745365375    
C        -0.3622067182         1.517178019         4.481257829    
C        -0.6489848054        0.5822896874         5.697540617    
C         0.2702407242         1.478718224         6.604419371    
C          1.353242641        0.3556435237         6.613779980    
C          2.311844754        0.5992957126         5.408324781    
C         0.5549250970         2.415735770         5.390788095    
C          1.818554926         1.873374049         4.655841361    
    20
Energy=    -1735.53690078600    
H        -0.4774075898E-01     1.904413481         7.561759176    
H         -1.690387461        0.3337384836         5.943750336    
H          1.754668184        0.1795458970E-01     7.575608299    
H          3.393949437        0.4392371864         5.524636389    
H          1.747524106        -1.148505282         3.914998496    
H         0.9386964328        0.9984309662         2.645560448    
H          2.554352549         2.583046126         4.266187835    
H         -1.202005856         1.900826049         3.892072868    
H         0.4302561615         3.504118784         5.496369167    
H         0.1529867051        -1.569176771         5.954173213    
C         0.4349932459       -0.5382996403         5.704094211    
C          1.390470655       -0.2930908025         4.496802051    
C         0.9021395920        0.9800365376         3.745248843    
C        -0.3621971780         1.518203096         4.481076265    
C        -0.6488407359        0.5820141693         5.696436062    
C         0.2701308963         1.477301162         6.604626737    
C          1.352717117        0.3542006594         6.612945761    
C          2.311535433        0.5989613740         5.408342061    
C         0.5549962038         2.415276919         5.392169152    
C          1.818874442         1.874099887         4.657177513    
    20
Energy=    -1735.53690882900    
H        -0.4791284014E-01     1.903419907         7.561847450    
H         -1.690223410        0.3331216730         5.942641950    
H          1.754004345        0.1545046639E-01     7.574358859    
H          3.393699938        0.4385005744         5.525289832    
H          1.747261501        -1.147599260         3.913553582    
H         0.9392850486         1.001302488         2.645383391    
H          2.555209948         2.584057037         4.269311857    
H         -1.201954327         1.901768315         3.892053538    
H         0.4302802263         3.503573985         5.499877149    
H         0.1525982651        -1.569431524         5.952104819    
C         0.4346722664       -0.5386113537         5.702491557    
C          1.390657842       -0.2927107205         4.495367429    
C         0.9025849281        0.9816889620         3.745189901    
C        -0.3618088350         1.518982882         4.481161148    
C        -0.6490066814        0.5818343492         5.695571246    
C         0.2699206022         1.476130307         6.604684223    
C          1.352436416        0.3527622021         6.612868736    
C          2.311303791        0.5986968707         5.408313685    
C         0.5549919394         2.415304234         5.393488061    
C          1.819145593         1.874539329         4.658486135    
    20
Energy=    -1735.53692668300    
H        -0.4813509209E-01     1.903497851         7.561852031    
H         -1.690513542        0.3332721275         5.942552545    
H          1.753958410        0.1553679878E-01     7.574603938    
H          3.393816206        0.4385741294         5.525290052    
H          1.747388436        -1.147644938         3.913458722    
H         0.9394356886         1.001147766         2.645398756    
H          2.555215171         2.583878709         4.269127520    
H         -1.201588103         1.901757214         3.891967682    
H         0.4304269460         3.503857235         5.499169640    
H         0.1525421386        -1.569618533         5.952257472    
C         0.4346018255       -0.5386680588         5.702704992    
C          1.390559361       -0.2926882510         4.495621136    
C         0.9026272115        0.9815335879         3.745214492    
C        -0.3618064693         1.518988053         4.481199571    
C        -0.6491083310        0.5818471866         5.695700579    
C         0.2698111906         1.476272529         6.604787159    
C          1.352291718        0.3528864297         6.612770110    
C          2.311415897        0.5986008207         5.408441091    
C         0.5550464475         2.415265649         5.393432533    
C          1.819159904         1.874483952         4.658494114    
    20
Energy=    -1735.53693440200    
H        -0.4844348761E-01     1.903295705         7.561885225    
H         -1.690789487        0.3332598846         5.942117249    
H          1.753640555        0.1488992073E-01     7.574503225    
H          3.393910848        0.4384146354         5.525492554    
H          1.747446939        -1.147434682         3.912933918    
H         0.9397638194         1.001912362         2.645343521    
H          2.555460453         2.583999144         4.269914295    
H         -1.201174458         1.902029548         3.891879514    
H         0.4305814629         3.503990852         5.499495732    
H         0.1523199636        -1.569925117         5.951869278    
C         0.4344330889       -0.5387871180         5.702433571    
C          1.390529038       -0.2926084093         4.495431669    
C         0.9028114727        0.9818693468         3.745183370    
C        -0.3616581717         1.519215172         4.481280239    
C        -0.6492634102        0.5817926761         5.695578657    
C         0.2696546668         1.476041165         6.604852710    
C          1.352052658        0.3525697052         6.612627718    
C          2.311457004        0.5984009600         5.408563472    
C         0.5551034360         2.415269445         5.393781930    
C          1.819315500         1.874582744         4.658878433    
    20
Energy=    -1735.53694034800    
H        -0.4882399467E-01     1.902847469         7.561886228    
H         -1.691130692        0.3331551282         5.941440700    
H          1.753050745        0.1374537641E-01     7.574229532    
H          3.393988470        0.4380860803         5.525819068    
H          1.747487532        -1.147103101         3.912060959    
H         0.9401981262         1.003428608         2.645233739    
H          2.555912873         2.584398486         4.271394712    
H         -1.200686254         1.902507854         3.891813801    
H         0.4307338988         3.504021665         5.500540927    
H         0.1519640931        -1.570243097         5.951166932    
C         0.4341579156       -0.5390970943         5.701823306    
C          1.390542220       -0.2924225349         4.494949721    
C         0.9031510993        0.9825315150         3.745156516    
C        -0.3614000624         1.519589828         4.481372859    
C        -0.6494024421        0.5816895080         5.695217678    
C         0.2694288612         1.475590786         6.605007137    
C          1.351751739        0.3519419557         6.612382055    
C          2.311483069        0.5981038355         5.408660966    
C         0.5552209333         2.415292635         5.394356601    
C          1.819536670         1.874709311         4.659536881    
    20
Energy=    -1735.53694268400    
H        -0.4921023780E-01     1.902362071         7.562000799    
H         -1.691334713        0.3331108662         5.940774209    
H          1.752329672        0.1268265007E-01     7.574004700    
H          3.393988082        0.4377339575         5.526078676    
H          1.747510327        -1.146782144         3.911219830    
H         0.9405182527         1.005156625         2.645233241    
H          2.556303837         2.584853681         4.272945503    
H         -1.200272555         1.902987252         3.891819820    
H         0.4308289445         3.503954473         5.501724530    
H         0.1515517412        -1.570537957         5.950632790    
C         0.4339942120       -0.5392099191         5.701081130    
C          1.390634911       -0.2923869683         4.494383501    
C         0.9035204297        0.9831823494         3.745080893    
C        -0.3611056021         1.519936750         4.481401447    
C        -0.6495941593        0.5815236286         5.694834732    
C         0.2693241293         1.475027609         6.604922380    
C          1.351443275        0.3512605956         6.612154504    
C          2.311484199        0.5977775312         5.408732946    
C         0.5553671564         2.415202762         5.394916387    
C          1.819894529         1.874933979         4.660113012    
    20
Energy=    -1735.53694618200    
H        -0.4913699863E-01     1.902356979         7.561948419    
H         -1.691290081        0.3331299389         5.940863073    
H          1.752350952        0.1283796735E-01     7.574044729    
H          3.393965967        0.4377559430         5.526021555    
H          1.747511257        -1.146852198         3.911307682    
H         0.9404367170         1.005053662         2.645244797    
H          2.556279305         2.584864369         4.272777677    
H         -1.200353992         1.902941787         3.891839074    
H         0.4307982504         3.503882034         5.501645055    
H         0.1516034013        -1.570414412         5.950735220    
C         0.4340048111       -0.5392614372         5.701152709    
C          1.390646061       -0.2923776088         4.494418962    
C         0.9035004085        0.9831140242         3.745115873    
C        -0.3611195719         1.519871494         4.481382665    
C        -0.6495224286        0.5815537180         5.694819751    
C         0.2693240880         1.475094819         6.604973362    
C          1.351497422        0.3513270580         6.612184720    
C          2.311473333        0.5978163982         5.408698271    
C         0.5553665785         2.415212174         5.394826733    
C          1.819839390         1.874863799         4.660054120    
    20
Energy=    -1735.53694752000    
H        -0.4911003637E-01     1.902274797         7.561926392    
H         -1.691239577        0.3331613736         5.940869972    
H          1.752262146        0.1288530561E-01     7.574079003    
H          3.393927053        0.4377271675         5.525976905    
H          1.747516811        -1.146891060         3.911294001    
H         0.9403724527         1.005202612         2.645275003    
H          2.556290824         2.584933271         4.272803159    
H         -1.200390951         1.902952571         3.891871009    
H         0.4307710947         3.503777724         5.501716756    
H         0.1515997210        -1.570318054         5.950805226    
C         0.4340171258       -0.5392857780         5.701120306    
C          1.390676222       -0.2923846885         4.494379355    
C         0.9035296879        0.9831220492         3.745136919    
C        -0.3611009604         1.519848187         4.481351309    
C        -0.6494723457        0.5815573378         5.694754676    
C         0.2693278853         1.475072136         6.604972424    
C          1.351503693        0.3513127192         6.612184099    
C          2.311458158        0.5978084620         5.408675702    
C         0.5553863307         2.415173937         5.394805421    
C          1.819849558         1.874840380         4.660056901    
    20
Energy=    -1735.53694827800    
H        -0.4912149236E-01     1.902148818         7.561917347    
H         -1.691200512        0.3332029542         5.940815303    
H          1.752129257        0.1286354446E-01     7.574117859    
H          3.393898035        0.4376660495         5.525942407    
H          1.747534577        -1.146905347         3.911209105    
H         0.9403444745         1.005472044         2.645299035    
H          2.556322457         2.585002521         4.272928044    
H         -1.200372682         1.902995102         3.891890560    
H         0.4307623365         3.503678114         5.501818180    
H         0.1515698772        -1.570267535         5.950837963    
C         0.4340222442       -0.5392892346         5.701055827    
C          1.390695559       -0.2923893487         4.494321697    
C         0.9035756633        0.9831779514         3.745140475    
C        -0.3610703035         1.519860469         4.481329497    
C        -0.6494452465        0.5815511959         5.694682043    
C         0.2693179683         1.475004585         6.604954361    
C          1.351471228        0.3512685841         6.612162417    
C          2.311448964        0.5977705621         5.408679884    
C         0.5554053928         2.415112145         5.394839226    
C          1.819888058         1.874847472         4.660113274    
    20
Energy=    -1735.53694840800    
H        -0.4912661486E-01     1.902131039         7.561920223    
H         -1.691198499        0.3332110426         5.940806164    
H          1.752112012        0.1286871853E-01     7.574123481    
H          3.393900375        0.4376543620         5.525934764    
H          1.747536705        -1.146900234         3.911201883    
H         0.9403451680         1.005504936         2.645296226    
H          2.556323870         2.585001193         4.272938577    
H         -1.200365606         1.903000065         3.891887222    
H         0.4307635837         3.503668484         5.501812447    
H         0.1515693580        -1.570265078         5.950843446    
C         0.4340201101       -0.5392893678         5.701055000    
C          1.390697763       -0.2923957868         4.494313215    
C         0.9035778083        0.9831863353         3.745141679    
C        -0.3610651317         1.519861487         4.481330574    
C        -0.6494456695        0.5815508342         5.694677918    
C         0.2693153518         1.474997257         6.604949386    
C          1.351471921        0.3512645468         6.612172274    
C          2.311448132        0.5977674821         5.408682442    
C         0.5554044212         2.415107753         5.394845123    
C          1.819890687         1.874845686         4.660122377    
    20
Energy=    -1735.53694906500    
H        -0.4917867010E-01     1.901967325         7.561941049    
H         -1.691191807        0.3332805520         5.940717160    
H          1.751966649        0.1288860887E-01     7.574203455    
H          3.393912890        0.4375495271         5.525869998    
H          1.747565293        -1.146873205         3.911111353    
H         0.9403573030         1.005816949         2.645284712    
H          2.556341787         2.584991589         4.273052378    
H         -1.200288949         1.903046614         3.891861868    
H         0.4307755783         3.503598085         5.501775035    
H         0.1515558571        -1.570257775         5.950884693    
C         0.4340137835       -0.5392848605         5.701036324    
C          1.390698390       -0.2924101346         4.494267813    
C         0.9036081738        0.9832569778         3.745136775    
C        -0.3610305007         1.519881237         4.481331630    
C        -0.6494413580        0.5815427913         5.694635878    
C         0.2692895053         1.474929560         6.604928282    
C          1.351446754        0.3512340680         6.612194387    
C          2.311450463        0.5977196774         5.408713398    
C         0.5554043110         2.415053598         5.394901015    
C          1.819918757         1.874838868         4.660208992    
    20
Energy=    -1735.53694938800    
H        -0.4923975359E-01     1.901889624         7.561977856    
H         -1.691238316        0.3333200642         5.940665762    
H          1.751907584        0.1292649229E-01     7.574281775    
H          3.393923261        0.4374788351         5.525823371    
H          1.747578131        -1.146835372         3.911077268    
H         0.9403955133         1.005979535         2.645287689    
H          2.556354410         2.584943168         4.273095755    
H         -1.200224141         1.903073032         3.891821358    
H         0.4307898523         3.503622018         5.501668841    
H         0.1515631378        -1.570278425         5.950906721    
C         0.4340064722       -0.5393127089         5.701039760    
C          1.390693033       -0.2923971411         4.494266733    
C         0.9036279801        0.9832763921         3.745138322    
C        -0.3610068396         1.519881615         4.481325598    
C        -0.6494566599        0.5815322290         5.694625306    
C         0.2692648324         1.474927000         6.604957168    
C          1.351440012        0.3512127913         6.612206474    
C          2.311458890        0.5976788564         5.408728021    
C         0.5554133140         2.415048374         5.394911003    
C          1.819922188         1.874806716         4.660249622    
    20
Energy=    -1735.53694942500    
H        -0.4924692256E-01     1.901890235         7.561984651    
H         -1.691244755        0.3333217782         5.940663291    
H          1.751908327        0.1293132041E-01     7.574288231    
H          3.393923609        0.4374744259         5.525820150    
H          1.747578516        -1.146832826         3.911077775    
H         0.9404011326         1.005983673         2.645290158    
H          2.556355580         2.584935218         4.273094968    
H         -1.200218605         1.903073490         3.891817012    
H         0.4307920071         3.503628188         5.501653393    
H         0.1515646590        -1.570285105         5.950907681    
C         0.4340061790       -0.5393101140         5.701041524    
C          1.390691551       -0.2923974134         4.494269771    
C         0.9036290057        0.9832742672         3.745139203    
C        -0.3610067071         1.519880761         4.481325376    
C        -0.6494577726        0.5815318171         5.694627051    
C         0.2692644421         1.474926937         6.604955525    
C          1.351437684        0.3512131910         6.612207904    
C          2.311457751        0.5976759379         5.408730233    
C         0.5554127047         2.415052209         5.394910678    
C          1.819924431         1.874805297         4.660249573    
