Fe  H  C  O                             
   1.00000000000000     
     6.5714539270000003    0.0000000000000000   -0.9875410000000000
    -3.3132440820000002   13.1512871839999992   -7.1324410000000000
     0.0668034460000000   -0.0440146800000000   15.3194911969999996
   Fe   H    C    O 
     6     6    24    18
Direct
  0.2069979332742236  0.3268380830599895  0.2235956955719800
  0.7930026002204755  0.6731609693418648  0.7764052555797178
  0.8801260026741033  0.3967452497710156  0.1731403846720596
  0.1198733900805351  0.6032545639528664  0.8268608473999848
  0.4834247278161001  0.2763593659277390  0.1031789235740916
  0.5165765715398649  0.7236412075885639  0.8968221323838534
  0.3800680271725554  0.0221202496583430  0.0583840627416237
  0.6199329363420958  0.9778795447122732  0.9416113867071658
  0.3579344976329892  0.5361870699703175  0.4777983510762098
  0.6420645094210613  0.4638119842897765  0.5222031553048296
  0.1777623407825359  0.5579834125975509  0.0358994539725401
  0.8222336355498783  0.4420156366315098  0.9641005491702330
  0.9112356660340524  0.0848768367675632  0.0383884558448884
  0.0887641622804622  0.9151237167382078  0.9616066211000103
  0.1736743101289875  0.5465262252680958  0.5848808190399382
  0.8263254630443626  0.4534713038324298  0.4151193738812609
  0.3727640205488143  0.4615024830710510  0.0463865918480195
  0.6272338623849336  0.5384973259504378  0.9536132351806543
  0.1324850157719766  0.0993667077518623  0.0727055194615716
  0.8675166969841825  0.9006346142938426  0.9272919950661915
  0.0331016032031570  0.4732938087567433  0.4006118269876637
  0.9668985445909470  0.5267044841813231  0.5993893984730221
  0.5599432299116742  0.4273715656818240  0.0267227787952677
  0.4400531265814109  0.5726282451979046  0.9732776034627548
  0.2128819259472579  0.0128533190742601  0.0331182781111323
  0.7871198034286664  0.9871479964108119  0.9668772761439186
  0.2000305980889294  0.5202434193120595  0.4871241358335823
  0.7999665079037044  0.4797548729687335  0.5128768932373120
  0.3199323130695788  0.5329009276775594  0.0200646808652962
  0.6800640489634304  0.4670988810152892  0.9799350479684819
  0.8030353434507731  0.1674755563954378  0.0754098054683112
  0.1969663637654762  0.8325257678371472  0.9245883624836893
  0.6354741680233005  0.4079004951180210  0.3325380030677252
  0.3645259742308866  0.5920978000069255  0.6674638758172051
  0.2275556836537902  0.4244617053750517  0.0919644536245414
  0.7724429485214586  0.5755396313215257  0.9080374384831060
  0.9012429013747223  0.2550951479883636  0.1560740743757876
  0.0987576542796589  0.7449038956659777  0.8439242630789536
  0.6461038415038587  0.4008975636355032  0.2448953561950660
  0.3538966864509234  0.5991014909532311  0.7551062483808622
  0.2452025339301613  0.3438435633107773  0.0989544277032337
  0.7547998892880727  0.6561593017181551  0.9010497258731789
  0.6144345723251092  0.1558669076462280  0.0331813144503883
  0.3855659996909964  0.8441351757215045  0.9668164809977213
  0.4584583890150427  0.3773584194635546  0.3441793889118117
  0.5415425138185270  0.6226383526886963  0.6558218299375156
  0.0811374341106443  0.4666695812545214  0.1225882618072447
  0.9188612036045356  0.5333317532551760  0.8774129768761654
  0.2668323288876664  0.1899512381850599  0.1388919407813347
  0.7331670804867372  0.8100485689781891  0.8611073310179904
  0.0769131407404799  0.4489290990850208  0.3100217318743006
  0.9230843509527489  0.5510699526595531  0.6899790228876057
  0.6280861472998680  0.3611690669346999  0.0510766234247200
  0.3719121102546268  0.6388315059243297  0.9489242361434407
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
