Fe  H  C  N Cl  O                       
   1.00000000000000     
     8.1157599999999999    0.0000000000000000    0.0000000000000000
    -2.7056705790000000   22.6857203759999990    0.0000000000000000
    -2.7056150760000000  -11.3420197040000001   19.6471355920000015
   Fe   H    C    N    Cl   O 
     6    12    36    18     6     7
Direct
  0.4996860043718527  0.1930626633364909  0.3064802994718363
  0.4961393182965068  0.8053713632039603  0.6941408805440901
  0.1928298919977749  0.1929536782222243  0.3859906175375443
  0.8019409707503300  0.8012680815266080  0.6026293219466083
  0.8067205311511785  0.1134593718429500  0.3064355092276898
  0.1975853272827308  0.8886062754142614  0.6941006711203670
  0.6415763032722452  0.3816832105632884  0.3930013087070066
  0.3531941364368265  0.6199825550988933  0.6071485557852583
  0.2505855365594272  0.1057213110975184  0.4885562047990604
  0.7549009557217232  0.8919724855219187  0.5120171310924420
  0.7605830396884699  0.0110424942488336  0.1169427466533861
  0.2378286027672516  0.9868339549230711  0.8795531500803833
  0.7514715201926663  0.0113759496897856  0.3931020867563433
  0.2536411640067513  0.9868882042733773  0.6070029874917751
  0.2379564409168680  0.3828928929887425  0.4885674023600970
  0.7575643671026810  0.6201788515307101  0.5117804553705128
  0.3562660585868258  0.1059100023270361  0.1168984653892835
  0.6415864038576586  0.8927779900597059  0.8795516231402445
  0.1688115681220239  0.6819767459013875  0.6049640134228866
  0.8255479087662607  0.3197825560787422  0.3961585119394826
  0.4303865555509532  0.1033480819517152  0.4233263399162652
  0.5771617428706932  0.8960037587353256  0.5783362132761312
  0.0060452643224451  0.0761819466194922  0.1793783110773148
  0.9919635808844518  0.9216669836424387  0.8168941434157517
  0.5706862713291230  0.0764299983835670  0.3962124638244831
  0.4361179963704984  0.9228182297456016  0.6048372773911481
  0.0013842731818485  0.6823066339398878  0.5783703149392920
  0.9929726851656966  0.3199942484607305  0.4232896933528707
  0.1732992830143516  0.1032372558520436  0.1793711853566577
  0.8247377457804248  0.8953127922305271  0.8168982152561313
  0.2250203490407898  0.6210839603721396  0.5880114149924296
  0.7694454314323238  0.3806490730677865  0.4125507233380290
  0.3589966621751586  0.0864990127793988  0.4677246694292592
  0.6479218790471037  0.9121568862208136  0.5333103113650068
  0.8896888273598833  0.0317431469711522  0.1182889988781000
  0.1085648073709962  0.9661131128926499  0.8780007609365725
  0.6431604133260009  0.0319716959903644  0.4126347050458108
  0.3628959453920828  0.9667994303146656  0.5879386308456844
  0.1087066668102068  0.3812421062467806  0.4676946396064778
  0.8856430322181836  0.6211793573545634  0.5331688149118960
  0.2285268512236485  0.0865728561760051  0.1182767833569685
  0.7693024088684268  0.9119384732828166  0.8780068686971347
  0.1100520710636488  0.5614492073095434  0.5439057490065480
  0.8843043385972535  0.4406543008740300  0.4562609118272718
  0.4313665524607657  0.0426496641188052  0.4834913443498579
  0.5745738779018836  0.9555086085324263  0.5169812134923006
  0.9453812082477100  0.0157260357314613  0.0584848612979414
  0.0526491652851888  0.9823123326323326  0.9377662160331468
  0.5720117441332278  0.0157042784092525  0.4563581270162800
  0.4338484554522637  0.9824728127489379  0.5439510482307455
  0.0520442463295581  0.4408358265280228  0.4834287398040544
  0.9424810057849697  0.5614653642625100  0.5168397170391970
  0.1130148837160618  0.0427666301081189  0.0584818074176567
  0.8850267442295205  0.9554602168576736  0.9377697788934753
  0.7453368350236786  0.2531579284493404  0.3552400790088655
  0.2498665094402455  0.7483522872486077  0.6463232230743401
  0.3902260042011392  0.1443009386341600  0.3977246435445707
  0.6172587643066265  0.8562431181662546  0.6055193106543300
  0.9920180667218048  0.1018070852431237  0.2459788592270868
  0.0053468563099486  0.8957464564145425  0.7502467691016506
  0.6100298587055448  0.1021449235486429  0.3553001386544281
  0.3960481281102659  0.8975561066763476  0.6459419970190226
  0.0075588861108216  0.2534470225481229  0.3977032663825852
  0.9883152907531354  0.7492497494053794  0.6058277525629023
  0.2539932990180702  0.1442046767523877  0.2459656257458605
  0.7446203295895870  0.8546378634852658  0.7502513499220740
  0.8578182729306434  0.2156389345083838  0.3576633330133561
  0.1380847590610514  0.7863438869400809  0.6449052046629760
  0.4999309070600120  0.1420600221534372  0.3576826742551447
  0.5062558630322513  0.8580622523855794  0.6444328711792195
  0.1418405241461755  0.1418430847707484  0.2836260773946648
  0.8559055242801321  0.8561305313970280  0.7121251815301264
  0.6078313391100210  0.1078328993501927  0.2156156545142878
  0.3924574436808328  0.8925757333339988  0.7850024716213611
  0.3916154639959686  0.2838039408079212  0.3917324214494613
  0.6063367295216224  0.7146974542128532  0.6193259034133476
  0.0001238879455485  0.1079244478532644  0.3917436190104979
  0.0124717943397741  0.9047685534281342  0.6194607831258452
  0.1644367668471460  0.5012743307863019  0.5266477625477961
  0.8305715602497230  0.5007366545527461  0.4728577332047763
  0.3621198621176802  0.0253831415524743  0.5266711756299642
  0.6424866437713490  0.9722866770170597  0.4730236607001501
  0.1660962862656206  0.0257736698823834  0.9981806206898369
  0.8320196424821447  0.9723810034127425  0.9981867284504062
  0.7604886802420836  0.7590127975811711  0.5187896195998292
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
