247
Energy =
Mo   -1.9942309   -0.3294062    8.9236271 
Mo   -0.5088139    2.6498639    9.4660906 
Mo   -0.1771701   -0.9663280   12.3423802 
Mo    3.0782018    2.9347926    8.7378119 
Mo    0.0735353   -3.3004574    9.5460990 
Mo    1.7276067    1.8411704   12.2373409 
Mo    4.9130738    0.1655337    9.3078116 
Mo    3.2122585   -1.2142361   12.2368530 
Mo    3.3628534   -3.1271766    8.8338765 
P     1.4887653   -0.1697298    9.2837609 
O    -1.2786215   -0.5170820   11.0781443 
O    -1.1179835   -2.0450135    8.9024411 
O     1.5370858   -0.1439039   10.8553906 
O     1.1482547    3.0306531    8.7637171 
O     0.0605912    2.3595465   11.1016742 
O    -2.0067739    1.5345255    9.4193006 
O    -2.1540025   -0.1634559    7.2600364 
O     2.6247559    2.5040279   10.9060002 
O     0.2734256    0.6489249   13.0114003 
O     1.6319114   -1.6326652   13.0024036 
O     0.1217682   -2.6765255   11.1847998 
O     4.4664736   -0.1020276   10.9875771 
O     3.2371832    2.9222943    7.0685649 
O     4.7125921    2.0211329    9.1954183 
O    -3.5388512   -0.7462163    9.4236764 
O     3.2890968   -2.4000185   10.9702321 
O     2.9313429    0.6813674   12.9179549 
O    -1.1458541   -1.6324140   13.5306393 
O     1.6758600    3.0721300   13.3663226 
O    -1.2369268    4.1476065    9.5797064 
O     1.7725890   -4.0558431    9.4219243 
O     4.3965410   -1.5140083    8.7360490 
O     4.3461484   -1.7188377   13.3561372 
O     3.1889659   -3.3604876    7.1810808 
O     6.5785473    0.0533015    9.3085672 
N     0.1792458   -3.8232281    7.2218783 
N     5.0255000    0.4805020    6.9711093 
O     4.5183378   -4.2619039    9.2669156 
C    -0.1514874   -2.9807091    6.2512859 
H    -0.4406920   -1.9820064    6.5432755 
C     0.2001257   -4.6453612    4.5601845 
C     5.0627852    1.1496713    4.2712756 
C    -0.1537020   -3.3489194    4.9174210 
H    -0.4726258   -2.6313668    4.1761950 
C     5.9812417    1.6965405    5.1651793 
H     6.7482288    2.3827794    4.8345849 
C     4.1529116   -0.0589993    6.1238448 
H     3.4303230   -0.7490363    6.5314510 
C     5.9202946    1.3454208    6.4951452 
H     6.6200463    1.7733456    7.1989325 
C     4.1358331    0.2440884    4.7759788 
H     3.3731453   -0.1908788    4.1436275 
O     2.7008477    0.6319312    8.7445705 
O     0.1666614    0.4862161    8.8123761 
O     1.5616692   -1.6436957    8.8083076 
N    -1.0895045    2.7683549    7.1606607 
C    -2.3617698    3.0514546    6.8804578 
C    -0.2322158    2.6749968    6.1500075 
H    -3.0543175    3.0970440    7.7083658 
C    -2.8127116    3.2854306    5.6030405 
H     0.7904432    2.4242788    6.3916031 
C    -0.5988708    2.9040887    4.8348541 
C    -1.9180301    3.2362701    4.5330705 
H     0.1652238    2.8380992    4.0710922 
C     0.5638471   -5.0550885    6.8894807 
C     0.5921868   -5.5022937    5.5880764 
H     0.8604115   -5.7159798    7.6909506 
H     0.9261822   -6.5110445    5.3945303 
H    -3.8602471    3.5070382    5.4622794 
O     3.5083107    4.4995940    9.1567016 
O    -0.8659268   -4.6741653    9.6800702 
C     0.1351157   -5.1256851    3.1832924 
C     5.0918465    1.5438336    2.8696198 
C    -2.3796640    3.5347198    3.1845246 
S     0.1480601   -4.0112146    1.8295394 
C     0.0497649   -6.4286626    2.8275760 
S     4.7131464    0.4517198    1.5934665 
C     5.4208443    2.7668768    2.3717699 
S    -1.3869539    3.3244986    1.7843846 
C    -3.6031451    4.0136655    2.8211917 
C    -0.3327786   -5.3573485    0.6617381 
C    -0.0242949   -6.6392468    1.4241181 
H     0.0402061   -7.2344846    3.5465012 
C     4.9926399    1.6316483    0.3841371 
H     5.6531870    3.6076512    3.0093178 
C     5.3461033    2.8344703    0.9515352 
C    -2.6183510    3.8663557    0.7179285 
H    -4.3939793    4.2075352    3.5288857 
C    -3.7523315    4.1963919    1.4195861 
C    -1.8549299   -5.2923794    0.4683183 
C     0.0785971   -7.7842268    0.7194190 
C     4.8709256    1.2591649   -1.0523274 
C     5.6223546    4.0618773    0.2218360 
C    -2.3637032    3.9223094   -0.7470270 
C    -4.9894955    4.6671177    0.8064211 
H    -2.3532193   -5.3841465    1.4321981 
H    -2.2010027   -6.1057638   -0.1703952 
H    -2.1589081   -4.3510788    0.0159990 
C     0.0623709   -7.7824696   -0.7185358 
C     0.1600783   -9.1828833    1.2284518 
H     5.1856427    0.2304563   -1.2239252 
H     5.4890018    1.9032722   -1.6751774 
H     3.8406413    1.3511414   -1.4020554 
C     4.9574727    4.6071148   -0.8109793 
C     6.7615424    4.9457432    0.6409331 
H    -1.3700331    4.3132106   -0.9633640 
H    -3.0842044    4.5719943   -1.2394482 
H    -2.4382457    2.9332720   -1.2053213 
C    -5.6644722    4.1249341   -0.2210295 
C    -5.6131829    5.9634126    1.2331276 
C     0.1527342   -6.6345169   -1.4205997 
C    -0.0440669   -9.1855836   -1.2062582 
F     1.0552590   -9.3559578    2.2205516 
F    -1.0324716   -9.6185163    1.7001422 
C     0.5411950  -10.0016912   -0.0292781 
C     3.7148519    4.1560588   -1.4280221 
C     5.5987522    5.8943203   -1.2406361 
F     6.4324259    5.6982118    1.7189771 
F     7.8674399    4.2561139    0.9653445 
C     6.9855810    5.8621724   -0.5746813 
C    -5.3996769    2.8896211   -0.9421389 
C    -6.7944327    5.0193769   -0.6409672 
F    -5.7073894    6.1035835    2.5695352 
F    -4.8934778    7.0145695    0.7824415 
C     0.0678217   -6.4150171   -2.8223571 
C     0.4551302   -5.3526892   -0.6526777 
F    -1.3332215   -9.5580335   -1.3996436 
F     0.6127187   -9.4313726   -2.3540990 
F     1.8811597  -10.0127073   -0.1463528 
F     0.1061731  -11.2652200    0.0096801 
C     3.5637062    3.9920179   -2.8316333 
C     2.5726136    3.8418963   -0.7316432 
F     5.6997112    6.0293274   -2.5771514 
F     4.8903324    6.9559235   -0.7962793 
F     7.4464186    7.0745893   -0.2484313 
F     7.8645855    5.2818546   -1.4083185 
C    -5.4590959    2.8136532   -2.3626784 
C    -5.0666120    1.6873702   -0.3622071 
F    -6.4608236    5.7612748   -1.7247714 
F    -7.9094186    4.3405627   -0.9568715 
C    -7.0025943    5.9451178    0.5710640 
F    -7.4491137    7.1615115    0.2399765 
H     0.0700899   -7.2163357   -3.5455815 
C    -0.0328122   -5.1111000   -3.1702072 
S    -0.0359781   -4.0028624   -1.8115823 
C     1.9766712   -5.2778803   -0.4599305 
C     2.3293698    3.5478559   -3.2031026 
H     4.3612763    4.1714921   -3.5353832 
S     1.3310211    3.3411007   -1.8061900 
C     2.3160753    3.8863671    0.7333845 
H    -5.6775987    3.6521897   -3.0081560 
C    -5.1365303    1.5840164   -2.8482882 
S    -4.7828115    0.4965809   -1.5606055 
C    -4.9735913    1.3233288    1.0785899 
F    -7.8861362    5.3800375    1.4103464 
C    -0.1224287   -4.6253686   -4.5439479 
H     2.4747744   -5.3626835   -1.4245489 
H     2.3294745   -6.0906000    0.1758538 
H     2.2745313   -4.3358569   -0.0049015 
C     1.8617760    3.2789406   -4.5560051 
H     1.3256007    4.2843357    0.9516238 
H     3.0418068    4.5249988    1.2326735 
H     2.3801259    2.8926222    1.1833528 
C    -5.1021074    1.1764423   -4.2462307 
H    -5.2920614    0.2958483    1.2501496 
H    -5.6043401    1.9715666    1.6844526 
H    -3.9518541    1.4183518    1.4509477 
C    -0.4994749   -5.4873198   -5.5736136 
C     0.1898326   -3.3171188   -4.8972336 
C     2.7334796    3.4182831   -5.6369869 
C     0.5592376    2.8807153   -4.8503457 
C    -6.0255065    1.7073014   -5.1443533 
C    -4.1681194    0.2729490   -4.7417402 
C    -0.4964626   -5.0322921   -6.8723517 
H    -0.8017086   -6.5067371   -5.3836902 
C     0.1641357   -2.9416043   -6.2290126 
H     0.4909219   -2.5932464   -4.1547274 
C     2.2781168    3.1919454   -6.9141254 
H     3.7659672    3.7062934   -5.5059200 
C     0.1853535    2.6700102   -6.1664356 
H    -0.1851365    2.7400452   -4.0772179 
H    -6.7967787    2.3914480   -4.8194456 
C    -5.9639316    1.3419159   -6.4703555 
C    -4.1853020   -0.0452702   -6.0864156 
H    -3.4008593   -0.1494446   -4.1059340 
N    -0.1501146   -3.7880754   -7.2013278 
H    -0.7819336   -5.6968933   -7.6747647 
H     0.4204570   -1.9332723   -6.5193463 
N     1.0210949    2.8399909   -7.1850078 
H     2.9540601    3.3028992   -7.7495998 
H    -0.8249146    2.3679963   -6.4020557 
N    -5.0637368    0.4779747   -6.9377269 
H    -6.6679421    1.7568252   -7.1776349 
H    -3.4585021   -0.7344782   -6.4882182 
Mo   -0.0732916   -3.2609243   -9.5252235 
Mo    0.4295217    2.6982682   -9.4837997 
Mo   -4.9570616    0.1427326   -9.2721156 
O     1.1055178   -1.9868081   -8.8949255 
O    -0.1430273   -2.6440050  -11.1658158 
O    -1.7610987   -4.0364077   -9.3834231 
O     0.8834171   -4.6221051   -9.6646850 
O    -1.5777483   -1.6186599   -8.7835931 
O    -1.2274116    3.0608694   -8.7717106 
O    -0.1471154    2.3876465  -11.1129186 
O     1.9420119    1.6032680   -9.4350424 
O     1.1355971    4.2052623   -9.6149184 
O    -0.2129993    0.5298353   -8.8101540 
O    -4.5178893   -0.1303899  -10.9526077 
O    -4.7802856    2.0015464   -9.1745524 
O    -4.4127019   -1.5246909   -8.6897586 
O    -6.6207530    0.0069874   -9.2617339 
O    -2.7474662    0.6420458   -8.7247378 
Mo    1.9558732   -0.2575638   -8.9279000 
Mo    0.1278544   -0.9391001  -12.3337061 
Mo   -3.3580891   -3.1246384   -8.7856868 
P    -1.5293564   -0.1469384   -9.2687339 
Mo   -3.1553265    2.9400601   -8.7319694 
Mo   -1.8153201    1.8418484  -12.2336784 
Mo   -3.2575908   -1.2336513  -12.2044487 
O     1.2308404   -0.4669705  -11.0790096 
O     2.1196349   -0.0814612   -7.2656083 
O     3.5037700   -0.6559235   -9.4325802 
O    -1.5887412   -0.1312097  -10.8399435 
O    -0.3502767    0.6651175  -13.0100652 
O    -1.6771533   -1.6340431  -12.9785447 
O     1.0981639   -1.5986625  -13.5242697 
O    -3.3104691   -2.4116337  -10.9295879 
O    -3.1665342   -3.3465105   -7.1335159 
O    -4.5023411   -4.2766989   -9.2024651 
O    -2.7114306    2.5014523  -10.8999451 
O    -3.3025909    2.9347336   -7.0617099 
O    -3.6090370    4.4966514   -9.1566570 
O    -3.0080172    0.6620421  -12.8987986 
O    -1.7873241    3.0663136  -13.3705163 
O    -4.3920903   -1.7612134  -13.3125735 
N     1.1329914    0.3778761    2.7171609 
C     0.0327421    0.1179944    2.9302490 
C    -1.3572908   -0.1996589    3.1948038 
H    -1.6078317   -1.1792224    2.7894060 
H    -1.9989918    0.5354725    2.7122346 
H    -1.5599028   -0.1859673    4.2653509 
N    -1.0528068    0.2029763   -2.7785283 
C     0.0548299    0.0377958   -3.0420015 
C     1.4508397   -0.1664021   -3.3786505 
H     1.8285977   -1.0699533   -2.9017773 
H     2.0440036    0.6762968   -3.0276719 
H     1.5798168   -0.2440329   -4.4579099 
