Fe  H  C  O                             
   1.00000000000000     
     6.6707900000000002    0.0000000000000000    0.0000000000000000
    -2.2237088059999999   15.1963622750000003    0.0000000000000000
    -2.2236678040000002   -7.6023229440000000   13.1579338410000002
   Fe   H    C    O 
     6    10    25    19
Direct
  0.1079586245815776  0.3010330277629834  0.7195901814384271
  0.8273676260610898  0.4063193718416969  0.6942807366559691
  0.4202893893987962  0.2827568689447020  0.5884616911412834
  0.8272860333733902  0.6943933133286677  0.4087359052712216
  0.4204648631497250  0.5948669747278998  0.2904893766899761
  0.1329026997960341  0.7133181799353565  0.3109880357696824
  0.7359606928052926  0.4796107114987791  0.4832757237451446
  0.2608638154073262  0.0011037193996515  0.5131132350705698
  0.2581781203152076  0.5248210898383263  0.0037293089168102
  0.1002337925828840  0.5820860072203971  0.5878255730317719
  0.5210313301026730  0.0028045363227633  0.4156214848078577
  0.5184693286827624  0.4163290150551120  0.9990770708268712
  0.7161037857524590  0.1095944410657737  0.7225997724941777
  0.4725763315168479  0.0266748300152742  0.6368803872449860
  0.4981918865008552  0.0843515521443408  0.7705693099327391
  0.6307184698087696  0.9868286588220911  0.7089866929511004
  0.5072425993802767  0.4675583793780049  0.5646730018392745
  0.0464366843456219  0.0954756330571129  0.5242821618774514
  0.9487600249023771  0.4444948460191824  0.9088280990392335
  0.0409963090326855  0.5323845641837153  0.0962506739510829
  0.9486269224188320  0.9080662504143007  0.4366551822974785
  0.5083188971623116  0.5624555366372377  0.4724632358789478
  0.5984408645324493  0.5037861575916054  0.5075036917416611
  0.0989369517106624  0.0014808849825272  0.4904979822811981
  0.0962692122225448  0.4998974075624645  0.0030019910783352
  0.3237307981594313  0.4975360444285428  0.5957926293543494
  0.8307221267645986  0.0950276179292899  0.4951005286028192
  0.7339619908000685  0.4119276980572550  0.9077071023707362
  0.8247266853468886  0.5003484381050782  0.0939615607541313
  0.7334846273973810  0.9092310326280213  0.4078337879522422
  0.3233506273371347  0.5919310920441063  0.5040419020298046
  0.2075280781463107  0.4602211711933677  0.6501233478880195
  0.7516398371407149  0.1857795679713519  0.5306106630696803
  0.5612232038028182  0.3581445615285759  0.8168364524306782
  0.7420325398071412  0.5358693990951551  0.1840273730861028
  0.5606831182519514  0.8193615847796067  0.3568508594692190
  0.2051243827284566  0.6459247501692573  0.4676881700700477
  0.2406596524560598  0.5600277002993863  0.5655302792915151
  0.6837101531440339  0.0023676089400837  0.4366848222093864
  0.6812521912446456  0.4399268490175956  0.0001443995708570
  0.5797673249297475  0.0519566735046553  0.7099214901729667
  0.5873704615482467  0.4022032567166676  0.5849444215943151
  0.1925269112865564  0.1814169948817934  0.5854642600493989
  0.0126785798906894  0.4303911128350819  0.8257041060767563
  0.1862331238616406  0.5953269366164449  0.1825354975198366
  0.0076073526926308  0.8228101044865994  0.4181051574265950
  0.5895001901220454  0.5839115807119200  0.4084569861001484
  0.2620120241856867  0.3905605954792506  0.6675880959842573
  0.8800735912030646  0.2733817994053069  0.5958374692210953
  0.6038564816364058  0.3366457513403489  0.7291995928800645
  0.8706058786720234  0.6047060024585988  0.2708358350986515
  0.6025848559323350  0.7331638322540073  0.3410330264784918
  0.2657865249986457  0.6635633282417217  0.3990094541774170
  0.0494124950276671  0.4936154989100459  0.6766852689482192
  0.5589920061847309  0.1804565866044570  0.5007921516877900
  0.3760807197891936  0.3351830277794008  0.8227515148516105
  0.5513808865535026  0.5058841332264663  0.1802144644177517
  0.3735742517610845  0.8228130040450594  0.3306468973451970
  0.0442823923592854  0.6721197736152007  0.4974618415851921
  0.9760730823652750  0.2212757902400142  0.7449969059317780
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
