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    13    36    18     6     7
Direct
  0.4992198889676658  0.1926836801529319  0.3063943692898974
  0.4965859821245289  0.8047606885402701  0.6937881999572255
  0.1932591790206644  0.1929739118560860  0.3858160448413130
  0.8051074824101292  0.8043113636878374  0.6078185049638662
  0.8072049091549331  0.1137247395842778  0.3064326314300914
  0.1984768004933315  0.8896300043364676  0.6941325819467892
  0.6396602182337503  0.3817538223201424  0.3920694508940841
  0.3478054013257292  0.6213371514777606  0.6081720668651087
  0.2535115030278803  0.1047583717981198  0.4890369604758291
  0.7592185842782797  0.8909846651508246  0.5122501352222883
  0.7607845622132245  0.0106220848371095  0.1165173025983819
  0.2366780770068644  0.9870543699493268  0.8787698654770111
  0.7527942439306230  0.0105076927281829  0.3921539858322092
  0.2601438309975279  0.9869801181640767  0.6079407105201113
  0.2357242143104870  0.3842815521061596  0.4889737117637196
  0.7519369311035931  0.6208086187113935  0.5128029273409780
  0.3557441774927312  0.1060285626627291  0.1164806598021357
  0.6418953126398321  0.8918133436667262  0.8788724803104557
  0.8542561181886867  0.7415984011534178  0.4978814552097788
  0.1637789479416156  0.6829812307416034  0.6052921641235685
  0.8242659534622661  0.3202688310989501  0.3958109404023489
  0.4315281269364775  0.1024887202592879  0.4231553939410873
  0.5825383624347822  0.8955479062912204  0.5790069385363168
  0.0058891062445099  0.0760864672515780  0.1790133932636735
  0.9914766007351403  0.9213689681574522  0.8162503005546142
  0.5718285030761052  0.0756934134679952  0.3958825258353329
  0.4413550578919754  0.9224800377289100  0.6052868162724891
  0.9964009017665134  0.6835835351619082  0.5789449722797571
  0.9918036103317789  0.3207415986388114  0.4230979762136258
  0.1731734618132066  0.1030983139447699  0.1790044938069357
  0.8245493361621143  0.8947663585721486  0.8162564953406601
  0.2197160583308246  0.6221273252361854  0.5886151842744169
  0.7675500871669740  0.3810664569137927  0.4119707544178652
  0.3614891033570089  0.0855603579702304  0.4677781117776689
  0.6527235696010152  0.9115038160577811  0.5336519209690920
  0.8897233124466126  0.0314879260855747  0.1178541954048029
  0.1077683211969358  0.9661062361976107  0.8773451193550699
  0.6447851280996062  0.0310753814616191  0.4120481075125184
  0.3686969515888663  0.9665732156498166  0.5884945345426331
  0.1065275090620190  0.3822858017192274  0.4677293918759275
  0.8808896343714920  0.6221747449463209  0.5337161659655223
  0.2281390150108038  0.0865169359606668  0.1178325921414967
  0.7694227269246241  0.9112197862745788  0.8773825958353214
  0.1054899798663200  0.5623692735042951  0.5442374283247915
  0.8815383203517868  0.4413098360140708  0.4558512524109162
  0.4347653668792333  0.0418049034839072  0.4834567985275768
  0.5790532352357829  0.9546530617844340  0.5169466131630074
  0.9453104897687723  0.0154263084825530  0.0579955334585236
  0.0521188628507545  0.9822256048715303  0.9371972062060365
  0.5747493522631828  0.0146532092332095  0.4559197706775109
  0.4390049438740391  0.9819465412266268  0.5442226639684193
  0.0489863127060204  0.4417232707810612  0.4833996675704029
  0.9381489441266595  0.5623103069154851  0.5168956139579777
  0.1126652506328440  0.0427008435126979  0.0579818381118073
  0.8849965853592252  0.9549945014586214  0.9372108995299513
  0.7445539164266961  0.2535046704464179  0.3550526146956585
  0.2467600770961411  0.7491380945712720  0.6461145876301231
  0.3905640617718049  0.1435040019686866  0.3976518610394351
  0.6217684821191583  0.8557588641808280  0.6065556841793125
  0.9917488626344451  0.1018186362015783  0.2456569218846312
  0.0055458451352166  0.8954349927384797  0.7496648069516354
  0.6107014918913478  0.1016880332539927  0.3551028774799079
  0.3995714357772187  0.8973641179066121  0.6463208079847220
  0.0072174501312645  0.2542202328888763  0.3976221761697403
  0.9850523747755773  0.7510625437451210  0.6060471611771376
  0.2539888107477708  0.1439868048641486  0.2456488491586413
  0.7439413752383928  0.8541320067024216  0.7496480510470391
  0.8576345461043289  0.2162381701514420  0.3576127907696218
  0.1368699845244947  0.7876315763960662  0.6446318613958866
  0.5001344734470479  0.1415018266873602  0.3576377406325406
  0.5091026538019037  0.8577730627669879  0.6451172370477636
  0.1417124794363431  0.1417162491629682  0.2833143055059324
  0.8556336613139806  0.8558009113514231  0.7115225154270490
  0.6077475743625058  0.1077818106362685  0.2155219160395561
  0.3920755851929059  0.8920480301680627  0.7843452591508040
  0.3913230897181137  0.2837414312137696  0.3918472439339595
  0.6077842677267853  0.7130521861074399  0.6216107517427929
  0.0007478330115802  0.1082550707872372  0.3917866110465695
  0.0174571602590774  0.9114890096465800  0.6240768812336839
  0.1606258541502541  0.5024085653962729  0.5270424345300455
  0.8273082481549565  0.5014684724335368  0.4722555363595973
  0.3668234379124513  0.0248022505451146  0.5270682506375692
  0.6453454789928514  0.9709552179436542  0.4723012024240489
  0.1654400374981506  0.0259456101244950  0.9976159861117893
  0.8321228611187195  0.9717923284581858  0.9976503401327790
  0.7630820907635112  0.7646349768425509  0.5160805555503813
 
  0.00000000E+00  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
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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
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
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