Fe  H  C  O                             
   1.00000000000000     
     6.6452400000000003    0.0000000000000000    0.0000000000000000
    -2.2165266360000002   15.1622424870000003    0.0000000000000000
    -2.2105412050000002   -7.5824542939999997   13.1268085439999993
   Fe   H    C    O 
     6    10    25    19
Direct
  0.2028911603830110  0.3276994086204610  0.2220478793630534
  0.8245674879907341  0.6839395862071385  0.7680465488778907
  0.8788514091553594  0.3977380410613733  0.1722345528558336
  0.1131260860029570  0.5994147124922975  0.8249705146305217
  0.4825229699330080  0.2760862740989936  0.1012188145767752
  0.5183863830921851  0.7287403472114704  0.9059544031695168
  0.3792741595260836  0.0242188539729895  0.0640323195986738
  0.6179277227946471  0.9755480708392028  0.9437823335712991
  0.3518848365659508  0.5389957356924100  0.4790776051102270
  0.6341186237900089  0.4634624042650159  0.5203222075728320
  0.1821093492996155  0.5594038329920394  0.0356278526065452
  0.8151781280732422  0.4347417895533709  0.9549731724951442
  0.2339729855331498  0.8233759635639473  0.7096325027348556
  0.4336264103526943  0.8117022959773905  0.6401472202351002
  0.5004576592437218  0.8934994203269824  0.7746772542552307
  0.3466706171621325  0.9272250797133808  0.6945404870833798
  0.9088490452904381  0.0846086462507998  0.0389645356893524
  0.0867144704713425  0.9154195232098488  0.9738460005073435
  0.1644016748730195  0.5497471779119891  0.5847750406559129
  0.8203880693936654  0.4528661322906515  0.4135529197217807
  0.3733497384239826  0.4605628692150958  0.0442872308262423
  0.6195857300729273  0.5307545732396193  0.9435400812378916
  0.1302025801789668  0.1002878688826172  0.0732927578531459
  0.8665734843054764  0.8996381760973691  0.9372034305797214
  0.0276326185799860  0.4731484344919750  0.4000012632468852
  0.9581064439816132  0.5276095565104413  0.5977027831023136
  0.5592965260961478  0.4256060597011810  0.0234162019633075
  0.4392510970825967  0.5683466551286784  0.9683526622173630
  0.2118741143343073  0.0139361267824185  0.0380922749291202
  0.7851054669564093  0.9856320511239076  0.9700133857608577
  0.1935988470633845  0.5213283084348532  0.4872981866505413
  0.7922739694515357  0.4790223443319235  0.5110671019168933
  0.3215321051258258  0.5320853991960064  0.0180980776251687
  0.6760291763871038  0.4620782857437504  0.9729188901621910
  0.8002740534796118  0.1670822845506521  0.0742084412014421
  0.1890020758590865  0.8307804836065387  0.9489427653527898
  0.6309528130391371  0.4079526889856027  0.3305456909389690
  0.3535635073425496  0.6043859394773463  0.6700516710149103
  0.2276519511537956  0.4241738952754659  0.0902580391896990
  0.7483508121602966  0.5602688984604001  0.8864706117252581
  0.3783247503632481  0.8638936793441800  0.7047303210823728
  0.8980237696377174  0.2553852442578375  0.1543673005672233
  0.0691453112770120  0.7402028978256894  0.9063154962702598
  0.6427678480507382  0.4011831474207668  0.2430461287910148
  0.3278502227283084  0.6347028773188583  0.7622873424609935
  0.2440545719019340  0.3433512908285081  0.0969192165586605
  0.6928104427948156  0.6197483091750868  0.8542899031711499
  0.6116790014489411  0.1550718342635165  0.0317175342814267
  0.3881775197449002  0.8465934976574871  0.9699189225868210
  0.4533012744213281  0.3775684673606747  0.3417738580525480
  0.5317777304432951  0.6217619437945672  0.6551104917219703
  0.0819190474275828  0.4668683259574706  0.1211086453094197
  0.9126375740559212  0.5273475688437657  0.8698755650869359
  0.2640806588103857  0.1913413713171508  0.1369601753521223
  0.7345872210792592  0.8066939104011936  0.8736457122505925
  0.0724485920065874  0.4491987859972184  0.3097599836525831
  0.9116432897180999  0.5513476648982021  0.6882213578203888
  0.6284492187368258  0.3606181373079096  0.0491581786873070
  0.3747529358971633  0.6366999921310992  0.9462437086947091
  0.9505986219531124  0.7440134556085809  0.7200455440724980
 
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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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
