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     6    18    18     6     1
Direct
  0.2175403424528355  0.2178979055309611  0.4354521440148318
  0.7918591893404638  0.7919900054781266  0.5840703071836941
  0.5051273256437554  0.2094898838768842  0.2896708390317997
  0.5009529462513882  0.7926307595382696  0.7102498320684489
  0.7844817594851179  0.0798760265138583  0.2894162082604765
  0.2090333979250332  0.9171271938954106  0.7098970207802893
  0.2665805645492227  0.0813131712434938  0.5794047370947411
  0.7254441722269718  0.9218886840990095  0.4202461371380934
  0.3115871731829074  0.4974091379003198  0.5791445188143314
  0.6939412204206192  0.4979676578357655  0.4195469002864343
  0.3119009204997099  0.0803593719650308  0.0032104230791745
  0.6930144608038944  0.9234668070298895  0.0032790696194027
  0.4283986464417211  0.0687468744200643  0.4736914597858117
  0.5611787762946605  0.9321821524892329  0.5246750855722340
  0.1363714386261279  0.5919471342487697  0.5688140127251557
  0.8708574394349640  0.4049563541251260  0.4287367563059590
  0.9626334509724188  0.0271817877340865  0.0972178688475509
  0.0424342219216314  0.9775338750036298  0.9097326869016982
  0.5576915940575233  0.0240715451229505  0.4294447735290419
  0.4320833451644859  0.9768654461111268  0.5693360457171437
  0.1361800332791319  0.0706823602126292  0.0972346313748176
  0.8686816617618334  0.9331473863248974  0.9097733958964866
  0.0443290029658598  0.4045066130683566  0.4730776320016545
  0.9626647716162040  0.5920517604241624  0.5241243168192113
  0.3630656691315295  0.0468079149799863  0.5455683784855481
  0.6265675471436651  0.9542646686892837  0.4531102691658688
  0.1814949527040710  0.4982188459553853  0.5450950366441916
  0.8256611357971266  0.4984274914658968  0.4524613198960168
  0.1805213322549264  0.0477712963558616  0.0034530806167368
  0.8245072225002019  0.9564252465528966  0.0034786235154272
  0.3913492081113858  0.1314532731340705  0.4305582842688338
  0.5994529233360879  0.8686779221039984  0.5663379479833353
  0.7703742477421969  0.2998775041314801  0.3635832074709384
  0.2358026129364603  0.6974999055508491  0.6341798869055424
  0.9679438250066994  0.0684754571940118  0.2025551866163724
  0.0373584437749201  0.9365447705557983  0.8042508921121581
  0.5932824786243316  0.0641036869339118  0.3644173427563047
  0.3982034598173598  0.9366246559113875  0.6347122967001226
  0.2360002181393526  0.1345698535602793  0.2026413938994551
  0.7679656737049143  0.8686738499682818  0.8043698262341863
  0.0384010631022420  0.2987083500283632  0.4297959883860329
  0.9662098449359675  0.6972174052258211  0.5658318793030261
  0.4925782191530104  0.1269719877493145  0.3683756938377627
  0.4998897549084731  0.8737964928093405  0.6301800286137080
  0.8751205895608365  0.2409638545742041  0.3675104281446195
  0.1297151350519030  0.7558429198228396  0.6296739599334060
  0.1314764725231896  0.1310734110617489  0.2618011419136153
  0.8733144955371301  0.8733871307784895  0.7458686060768969
  0.4273495612192590  0.3503866725459801  0.4105829392772051
  0.5773785165272329  0.6523314912290843  0.5766341308023968
  0.5736100160177315  0.0731210277693179  0.1477552921224685
  0.4247296820155881  0.9244523855180375  0.8508826465341670
  0.9829677666305869  0.0595004853924763  0.4097639700879441
  0.9987726371224070  0.9231583105131023  0.5754376056418593
  0.2824507277852675  0.2839026376624290  0.5668623756220725
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
