2
E=-113.71369104 ZPVE=0.00072767
  Ta     1.728497    0.531308   -0.005982
  Ta    -0.077891    1.797081   -0.002101
3
E=-189.07437808 ZPVE=0.00312866
  Ta     1.822382    0.555357   -0.005929
  Ta     0.040695    1.947249   -0.001694
  O      1.894356    2.482818   -0.000472
4
E=-227.96603357 ZPVE=0.00239281
  Ta     1.881827    0.423866   -0.006311
  Ta    -0.231221    1.904523   -0.001772
  Ta     2.082211    2.957919    0.193795
  Ta     1.055013    1.484692    2.159838
5
E=-303.32569165 ZPVE=0.00564842
  Ta  1.81308259939507      0.50622119857160     -0.07863621498714
  Ta  -0.32555040686160      1.97387110139094     -0.06360271613717
  Ta  2.18139600639625      3.05096266827837      0.26022841335950
  Ta  1.06622607331209      1.58928289173657      2.09183357648621
  O   0.54569772775817      3.60476214002251     -0.57732605872140
6
E=-342.19311981 ZPVE=0.00398199
  Ta  1.50038606925776      1.39271660250909     -0.00000000594188
  Ta  0.00000124724988      0.00000078776122      1.56302759080030
  Ta  0.00000126608324      0.00000080511552     -1.56302749885356
  Ta  1.50038147869931     -1.39271527355526     -0.00000004988120
  Ta  -1.50038502871145      1.39272551336476     -0.00000004964468
  Ta  -1.50038503257872     -1.39272843519533      0.00000001352101
7
E=-417.55096280 ZPVE=0.00737890 
  Ta  1.44407536682150      1.61330066364924      0.02564898898528
  Ta  0.02510281403859      0.06175289619733      1.57259292082311
  Ta  0.02618265672783      0.09315723941715     -1.55302665304844
  Ta  1.36867003772719     -1.47167493920810     -0.00534242988923
  Ta  -1.33321476541641      1.66618589810860      0.02525739071970
  Ta  -1.37625733489165     -1.41869311700987     -0.00570834808234
  O   0.08113522499296      2.98708635884564      0.03920613049193
7
E=-417.51571963 ZPVE=0.00683968
  Ta  1.29944676150987      1.41832868357602      0.04696221468328
  Ta  -0.15033292816058     -0.12327566425862      1.75790484540288
  Ta  -0.06406217782420      0.04924646445719     -1.52506084660686
  Ta  1.32089614139508     -1.46055794852021      0.09689484685618
  Ta  -1.42287233683893      1.48749101742029      0.04840228734992
  Ta  -1.48632115154691     -1.62429228729818      0.15559215242894
  O   -1.58123330853434     -1.51857426537649      2.03753649988566
8
E=-456.43319933 ZPVE=0.00609890
  Ta  0.00496146382293      1.27248030995652     -1.90008350676864
  Ta  -0.00045544496776     -1.27633605068285     -1.89753051665908
  Ta  0.00315648923521      1.66190396139068      0.63668406551094
  Ta  -0.00462853401800     -1.66061259196462      0.63999989281866
  Ta  -1.98855002048165      0.00372824654939     -0.66404296890470
  Ta  1.99008333956526     -0.00503650093717     -0.65934818016852
  Ta  -1.46284275809177      0.00536906588404      1.92051253872030
  Ta  1.45827546493580     -0.00149644019600      1.92380867545102
9
E=-531.74993825 ZPVE=0.00866774
  Ta  -0.10993570271406      1.40305349430275     -2.03115406850584
  Ta  0.09210045312803     -1.16834669917815     -1.93891861967574
  Ta  0.01867911974486      1.67320354304053      0.59363080992605
  Ta  -0.06509622886069     -1.64683792556198      0.59448578832017
  Ta  -2.03297308274167     -0.03873080535125     -0.75714064408425
  Ta  1.98654365329364      0.09526184050735     -0.61995590992594
  Ta  -1.48295401172215      0.03507808712662      1.90178252718505
  Ta  1.46234932609428     -0.07944357081517      1.89719075488001
  O   -2.05201252622225      1.52185403592930     -1.97691463811950
9
E=-531.74229461 ZPVE=0.00858210
  Ta  0.19157482492662      1.40012868918445     -1.75619301668511
  Ta  -0.05895277331110     -1.13942667276357     -1.93043809716457
  Ta  -0.19902676130708      1.62713028774093      0.85332095031450
  Ta  -0.00972870450931     -1.77284534421460      0.53896152372062
  Ta  -1.99239854863613      0.03595047829826     -0.62143813431640
  Ta  1.94820021176452     -0.08537176384187     -0.43485384215711
  Ta  -1.55348642752732     -0.33410058838719      1.94802504761801
  Ta  1.29253232924458      0.04315898325863      2.21502837190970
  O   1.15593084935523      1.93033093072497      2.36632819676035
9
E=-531.74294860 ZPVE=0.00833026
  Ta  0.00247541372955      1.29035002727525     -2.00353675743206
  Ta  -0.00323901910844     -1.28803419995517     -2.00923201046471
  Ta  0.00746318570108      1.62921726938726      0.60243524234023
  Ta  0.00013723223462     -1.63300697389611      0.60115279538707
  Ta  -1.92625996274068      0.00108737829108     -0.76776036059047
  Ta  1.92936885872785     -0.00749986746128     -0.77319267259214
  Ta  -1.36921315812895      0.00039498219904      2.08091033063411
  Ta  1.38084658049983     -0.00583463254509      2.07697040103964
  O   0.00771886908514     -0.00640298329497      3.48092703167831
10
E=-570.66080443 ZPVE=0.00771409
  Ta  1.43340160142129      1.48350710905123      1.09157908108897
  Ta  -1.37598168986851      1.32732077306447      1.08737411416074
  Ta  1.37597789497006     -1.32732296536865      1.08737274870012
  Ta  -1.43339880041931     -1.48350613674376      1.09157563323432
  Ta  0.00213977777569     -1.99651169010618     -1.09690374641777
  Ta  -0.00214589069009      1.99652385272261     -1.09690902423020
  Ta  0.00000004136808     -0.00000048567743      2.77505370535979
  Ta  1.99532223457044      0.07233199229279     -1.09748890161126
  Ta  -1.99531543915811     -0.07234201204969     -1.09748613342127
  Ta  0.00000027003046     -0.00000043718540     -2.74415747686343
11
E=-645.97666039 ZPVE=0.01037038
  Ta  1.36223390164859      1.44460429806585      1.13345900103835
  Ta  -1.45354188458609      1.44948634425138      1.01738258064029
  Ta  1.42804788568451     -1.38009286659422      1.03680189857284
  Ta  -1.41165817334369     -1.48893585689086      1.14120688862567
  Ta  -0.00233703459009     -2.05894494114059     -1.06359449948141
  Ta  0.02249049430650      2.09554836178296     -1.11063691811826
  Ta  0.03230618099970     -0.10393001594466      2.77797986309124
  Ta  1.96673489581467      0.12436007385911     -1.09174043346637
  Ta  -1.97009867215931     -0.22873799391672     -1.08029499863109
  Ta  0.00119046398478     -0.05048442869181     -2.77031241276329
  O   -1.56798205775959      2.92473902521956     -0.26723196950797
11
E=-645.95028082 ZPVE=0.01002165
  Ta  1.36752733841885      1.51727757378046      1.09273175220815
  Ta  -1.43060229570443      1.46408749919735      1.08962141732895
  Ta  1.46091816921378     -1.36933631836472      1.05189728135842
  Ta  -1.41400664887964     -1.42280035902844      1.04945816488181
  Ta  0.03860497053842     -2.05381206791834     -1.03279597277593
  Ta  -0.03935110139896      1.98844967926534     -1.15840950424217
  Ta  -0.00377593451770     -0.00222209616786      2.72992777243684
  Ta  1.96775590506658      0.07777186869481     -1.13756349495679
  Ta  -1.97095768528759      0.00184209177610     -1.14187087387925
  Ta  0.00375878417441     -0.13649365004780     -2.76926297292885
  O   -0.04797450162371      2.23240077881311      2.40741343056880
11
E=-645.96692074 ZPVE=0.01029295
  Ta  1.48547599855826      1.50471407032483      1.23300517890770
  Ta  -1.34389540523422      1.33278837298930      1.09657217445907
  Ta  1.38906495809295     -1.32710962122105      1.07020555335636
  Ta  -1.41211796362175     -1.45936439336605      1.00816763333216
  Ta  0.01809223104519     -2.03941241352665     -1.07997681293879
  Ta  0.04818966226029      1.98796033879149     -1.10999593322934
  Ta  0.05739260583223      0.01828632327238      2.90106541816182
  Ta  1.98895016559521      0.10939866103304     -1.12562243204703
  Ta  -2.03527988632662     -0.04173253955135     -1.06821712698830
  Ta  -0.04140707825928     -0.03965309723049     -2.73780881537887
  O   1.40344971205774      1.39804229848454      3.19667716236522
