Fe  H  C  N Cl                          
   1.00000000000000     
     7.9707007750000001   -0.0004508810000000   -1.5062533819999999
    -3.9998511109999999   12.5275641160000006   -6.6032999400000003
     0.0278026650000000    0.0014371410000000   14.7152326999999996
   Fe   H    C    N    Cl
     6     6    18    18     6
Direct
  0.2087478405242607  0.2087839316860922  0.4175163376349857
  0.7912552035024447  0.7912152397821330  0.5824870422661519
  0.4999961626812990  0.2088017212573376  0.2911949400892695
  0.5000036578553946  0.7911934599967978  0.7087988440429029
  0.7912563547584668  0.0824891596962374  0.2912208940913814
  0.2087407754037898  0.9175132048910797  0.7087792359355447
  0.2663453325945326  0.0768546113109494  0.5768531005465292
  0.7336455171221630  0.9231477528122625  0.4231491046764617
  0.3105157240944862  0.4999448402543365  0.5768152815712071
  0.6894970914896064  0.5000487448395532  0.4231797960443728
  0.3104958611792981  0.0768180411083321  0.9999446360939928
  0.6894875937619176  0.9231795341891313  0.0000499062900516
  0.4348144903050439  0.0686313209040961  0.4750936758052546
  0.5651842124291377  0.9313742357365484  0.5249148432685757
  0.1338242270782146  0.5935003038143520  0.5686497716884489
  0.8661882388574753  0.4065076485356229  0.4313544355579566
  0.9597603240583936  0.0249217085839248  0.0935437297447095
  0.0402525121388351  0.9750870410382646  0.9064690279838956
  0.5651849290718616  0.0249142517310332  0.4313739454375494
  0.4348201722630662  0.9750865163403617  0.5686290023723686
  0.1338137570896620  0.0686522898558053  0.0934989689738401
  0.8661794453959217  0.9313572585803698  0.9065026235534006
  0.0402494177656081  0.4064713088111560  0.4750857790184568
  0.9597640828819749  0.5935462221820345  0.5249207937489828
  0.3666766744373433  0.0451861042189492  0.5451864434498219
  0.6333223948779576  0.9548226460048923  0.4548167505537322
  0.1785150798712678  0.4999604826191018  0.5451709892209280
  0.8215090702805483  0.5000482681349183  0.4548354518665647
  0.1785089436387324  0.0451774495127211  0.9999651551368132
  0.8215025937700844  0.9548336950638117  0.0000451465176496
  0.3986887576488485  0.1329680417664818  0.4342598096863597
  0.6013042760288201  0.8670287337715905  0.5657509843572939
  0.7657278715775320  0.3013417252846224  0.3670257958439720
  0.2342887511194789  0.6986494649157464  0.6329719946255068
  0.9643963567635723  0.0657645257477313  0.1986688367413834
  0.0355814206235721  0.9342266646021145  0.8013154636327400
  0.6013141869891712  0.0657449157198187  0.3670302084876340
  0.3986902413978370  0.9342494671355297  0.6329664073037051
  0.2342805419196097  0.1329731890665968  0.1986450210867758
  0.7657135588454267  0.8670180023026859  0.8013355140648528
  0.0355895303125209  0.3013252981812542  0.4342329002923435
  0.9643980670112882  0.6986730747916994  0.5657678605980649
  0.4999947719581286  0.1286356807764832  0.3713620376113695
  0.4999904798225074  0.8713555081175457  0.6286372981156916
  0.8713734291156499  0.2427717945455541  0.3713372572726428
  0.1286213083960135  0.7572082205763877  0.6286512396279207
  0.1286183127261680  0.1286545679856701  0.2572067018411062
  0.8713592077374770  0.8713310359025854  0.7427669105556944
  0.4247496578413390  0.3495907959384752  0.4247329021492092
  0.5752690283255930  0.6504171549252717  0.5752862120602629
  0.5752497761566104  0.0752766627279797  0.1504030787977726
  0.4247326452094384  0.9247137303932860  0.8495738639400301
  0.0000083700377331  0.0752220866564457  0.4247949546664529
  0.9999990708864885  0.9247834688708423  0.5752260110047374
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
