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     6    24    19
Direct
  0.1016636748662734  0.2982287751646666  0.7194343819014506
  0.8255668258720021  0.4059150197351542  0.6946523755514917
  0.4179447196876538  0.2834147290125770  0.5892650087538911
  0.8253909241539716  0.6943128445683442  0.4072820295920181
  0.4216109119207658  0.5947901273852452  0.2910631749846928
  0.1329132847735437  0.7121563122524108  0.3094429603615154
  0.7371832095719526  0.4825995181090335  0.4864456743243153
  0.2580337140549744  0.0014765496492117  0.5160551863273355
  0.2580217252244452  0.5198023915041574  0.0026485921286081
  0.0990599885491505  0.5837581442722595  0.5889594896618675
  0.5185731278316226  0.0017914927249336  0.4133255316312372
  0.5185119709391088  0.4129472838866874  0.9993848699121131
  0.5063981728476818  0.4693218081926886  0.5665957961248864
  0.0430750384699863  0.0954310440598434  0.5251835191986984
  0.9478040671862189  0.4404091472337157  0.9083417004847689
  0.0410903442663653  0.5292347764002940  0.0958106352588430
  0.9471343728697263  0.9077405619522025  0.4352780663901470
  0.5082949853578569  0.5643135057671671  0.4743290303339620
  0.5987100303082968  0.5061707130066182  0.5100458841864750
  0.0964959784535324  0.0015697924503755  0.4915543791416752
  0.0959783949352513  0.4955701018625192  0.0022746732398602
  0.3221107766007449  0.4988924620541439  0.5971583452955613
  0.8274081235877802  0.0946178571616656  0.4946931698134520
  0.7330709321798210  0.4083549868013066  0.9075095029579856
  0.8250710915251744  0.4973191022380163  0.0938688410296891
  0.7321705802222880  0.9085736744179016  0.4052057157626479
  0.3228698662561484  0.5935895264075981  0.5054022979868265
  0.2049321162997160  0.4605827912644571  0.6507343860720667
  0.7472173340488197  0.1852097534734156  0.5305187033429775
  0.5592061218401554  0.3559145538704058  0.8169458921054300
  0.7425884577235138  0.5339537943218460  0.1840760129415528
  0.5597081491616152  0.8183719266915617  0.3534901494569667
  0.2049620177932283  0.6472508410235420  0.4682224484822157
  0.2396526075311414  0.5616157523954186  0.5668617953343613
  0.6814598934659202  0.0016968682956318  0.4348547476482167
  0.6812118875972786  0.4364135666571158  0.0001550395392371
  0.5861215726100468  0.4037954460492799  0.5867380162639009
  0.1884464721559382  0.1815733718529060  0.5876104936709723
  0.0114000649161170  0.4261542528837907  0.8249273883850989
  0.1863611088010586  0.5931429510800683  0.1817306599117430
  0.0064017311730638  0.8224125729723539  0.4160911634120126
  0.5896752030063368  0.5852648830384766  0.4100256214382938
  0.2572042052714849  0.3897228825218733  0.6667475384823192
  0.8756404380453944  0.2727063605884439  0.5955988299303101
  0.6013151173468216  0.3372916208266616  0.7297711111815559
  0.8715788378998681  0.6033609883042033  0.2705531159388670
  0.6024068314679738  0.7321230232392750  0.3370202384041647
  0.2672500914622447  0.6649527377510793  0.3997755319007013
  0.0474415376190791  0.4942966526808590  0.6780152649955866
  0.5541568549825300  0.1798944187219291  0.5012534703167901
  0.3744732442169223  0.3318481807180689  0.8224558757302205
  0.5520427862007580  0.5045365579798329  0.1807145429315611
  0.3722600726877872  0.8216903889510334  0.3277596659258037
  0.0432871365177263  0.6731145301601273  0.4970970426693455
  0.9668173553130543  0.2175070281210552  0.7429091921362883
 
  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
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  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
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  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
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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
