Fe  H  C  N Cl  O                       
   1.00000000000000     
     8.1117699999999999    0.0000000000000000    0.0000000000000000
    -2.7048980829999998   14.4646646529999998    0.0000000000000000
    -2.7051321549999998   -7.2300025970000004   12.5279438279999997
   Fe   H    C    N    Cl   O 
     6     7    18    18     6     1
Direct
  0.2145709720671931  0.2130108841615410  0.4278610327201164
  0.7935521348371637  0.7928146210369178  0.5858279642397477
  0.5068389605928587  0.2113947530303264  0.2919720853677461
  0.5028043027427671  0.7948484235441953  0.7121328255863304
  0.7864513933646151  0.0796536741464138  0.2915079196163859
  0.2109035856728525  0.9171527285053145  0.7117927024811337
  0.2617203732396831  0.0800492455235755  0.5775900974182946
  0.7222097939810013  0.9219812911357010  0.4197109623873558
  0.3202638523261854  0.4988474088471762  0.5777762778882973
  0.6996993967613321  0.4965669376972883  0.4203663888251796
  0.3132714180346241  0.0806401491585831  0.0054039942590194
  0.6940942835553372  0.9249318261826858  0.0057055681614884
  0.2025482431971000  0.3128449406538536  0.6010486205988386
  0.4235327330480914  0.0678518171162281  0.4720579231528959
  0.5586102065882415  0.9322787191450956  0.5244876076058063
  0.1420208356682124  0.5921406672208320  0.5696008368704923
  0.8776425932096217  0.4045976362765487  0.4303339604040062
  0.9639087313423573  0.0280755582551961  0.0993868970288290
  0.0436793684504977  0.9778862413135130  0.9118123483390690
  0.5539566374124192  0.0236524496495818  0.4287215169408256
  0.4290638825411648  0.9766813743226024  0.5688184416104249
  0.1374868152755866  0.0714366062368939  0.0993449127500483
  0.8698009927281731  0.9338719414075811  0.9118756932794057
  0.0515264273449105  0.4039904001441670  0.4737878328121781
  0.9679151582782026  0.5918287945371787  0.5251315321393903
  0.3586371449587702  0.0458189533478972  0.5440949648630067
  0.6231342908019002  0.9540605558180886  0.4525792994008810
  0.1883306662856157  0.4984583765404125  0.5452176963032827
  0.8318759001747793  0.4978214641292240  0.4535432662887047
  0.1817563304571763  0.0482719586957074  0.0055683148268457
  0.8256977220821895  0.9573910929783622  0.0057052855240727
  0.3873728947193911  0.1309040683110538  0.4286634961910849
  0.5988558487744982  0.8697218131074038  0.5669868680315986
  0.7756326491817234  0.2998213019515177  0.3664021398371204
  0.2403135819612530  0.6979657955646701  0.6353236067561596
  0.9688018139783878  0.0694378583044468  0.2045996232471339
  0.0388122928687409  0.9367170158555211  0.8063858324955078
  0.5916642737899949  0.0640418817163066  0.3643341311981274
  0.3967953553276047  0.9371259817983315  0.6350661048647979
  0.2379203693570631  0.1353226754925103  0.2045734484389286
  0.7691229860362725  0.8695460875458636  0.8064829226680885
  0.0442991952643865  0.2973830635757011  0.4312788534946463
  0.9698055977148954  0.6967877416899313  0.5670170881799237
  0.4912496359011271  0.1269358035913939  0.3677710411269786
  0.4999247718056736  0.8751122782099969  0.6311427351766099
  0.8787698250617950  0.2402865112238004  0.3702987217610669
  0.1328912758749965  0.7558232451658284  0.6310008456995746
  0.1330576457057049  0.1318906594243074  0.2638482555240813
  0.8746961776010664  0.8738543683066098  0.7479279327783104
  0.4267146363359657  0.3538694191871983  0.4061576703463032
  0.5803000422475151  0.6535630177975023  0.5777882528574736
  0.5778758264831154  0.0768419326401215  0.1508302428648989
  0.4272027062019816  0.9266066267396980  0.8532409748317846
  0.9772007753854197  0.0475351936131005  0.4026772046294482
  0.9989114739903258  0.9238358704768075  0.5776869137665344
  0.2837716134909769  0.2752194334915714  0.5715094883195562
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
