Fe  H  C  O                             
   1.00000000000000     
     6.6452400000000003    0.0000000000000000    0.0000000000000000
    -2.2165266360000002   15.1622424870000003    0.0000000000000000
    -2.2105412050000002   -7.5824542939999997   13.1268085439999993
   Fe   H    C    O 
     6     6    24    19
Direct
  0.2030767368020037  0.3272580526959885  0.2216730738660786
  0.8313069724823094  0.6850906261616672  0.7670577327496986
  0.8791802192873419  0.3976296563471706  0.1722459798526970
  0.1155759295824410  0.5999814282676823  0.8254245473057154
  0.4830396197233569  0.2768490370262313  0.1014054555254731
  0.5215304163839605  0.7292549769248353  0.9046570581261335
  0.3796270485237514  0.0248240863864879  0.0620615435404019
  0.6191915090725857  0.9753113592283427  0.9383369886681265
  0.3540264197362362  0.5359815710764266  0.4780065146046510
  0.6365540371608915  0.4642438517837277  0.5209880205898116
  0.1833200859783801  0.5607423334700457  0.0360887414798583
  0.8184431549376541  0.4373993494072153  0.9574505454141544
  0.9086438631425651  0.0846018938029687  0.0363911759967266
  0.0881301495558304  0.9158132550369089  0.9706860549759568
  0.1673397592329167  0.5485436187285231  0.5844230891526578
  0.8218953316048996  0.4524112835749179  0.4135955805100551
  0.3745234888053872  0.4620540020221782  0.0450810262080381
  0.6229039179116711  0.5332029137729819  0.9454461043139588
  0.1298157022198154  0.1004291778831856  0.0714994811460841
  0.8680242081079115  0.8997534428909830  0.9333152044485260
  0.0290706601554547  0.4719093950034861  0.3997445367174564
  0.9609577826204543  0.5274744216504104  0.5977332550939352
  0.5609178368526599  0.4273894731209538  0.0246335580286825
  0.4419283568615171  0.5705166971870170  0.9697193310416878
  0.2123442258384287  0.0143293203207122  0.0357093651841396
  0.7859985115618073  0.9856376203013397  0.9658570061033700
  0.1957946565553925  0.5193447569071736  0.4867093154124120
  0.7944989868004413  0.4790832529955296  0.5113207812471643
  0.3232360097381886  0.5337694262981074  0.0189848125814152
  0.6788343784468438  0.4644617785370215  0.9748904280202453
  0.7996966560925500  0.1669421993059217  0.0728257745815100
  0.1916366176171636  0.8315595882567379  0.9462421850951301
  0.6319211174588872  0.4076928849795109  0.3307132868928946
  0.3571057697820237  0.6032713366046636  0.6695267909591891
  0.2282418853815642  0.4250790713051202  0.0905764715021675
  0.7524415966392084  0.5625388656617005  0.8884261517877121
  0.8973887024599279  0.2547524207622018  0.1537441483385109
  0.0721744586437509  0.7410568166059406  0.9047035279133553
  0.6434023695347122  0.4016811450725655  0.2434590242775130
  0.3323830627389839  0.6308851002273315  0.7615110684743769
  0.2441233573752726  0.3438271648581406  0.0965809774516373
  0.6990836438879953  0.6225232061037289  0.8565455923511038
  0.6109950768459811  0.1553373217861420  0.0307660463429684
  0.3908175359405277  0.8474415210679282  0.9667178398667460
  0.4545661051907288  0.3767917422316742  0.3417769052517059
  0.5345888999815642  0.6232031311619153  0.6549550845646905
  0.0826755352836130  0.4677202784475298  0.1217097053442018
  0.9156506348208708  0.5286509601912925  0.8712026203221512
  0.2634918385578402  0.1912950245806329  0.1362951241349322
  0.7365440423574015  0.8065693511167993  0.8694520044033638
  0.0732899169631906  0.4479000536034761  0.3093707039595870
  0.9146302311600181  0.5523966191322884  0.6885397901328574
  0.6293597369588397  0.3619770233174151  0.0499763516624014
  0.3778457680096778  0.6388538626723843  0.9474237365703431
  0.9630307646451115  0.7445016507076687  0.7198611885231756
 
  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
  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
