Fe  H  C  O                             
   1.00000000000000     
     6.6707900000000002    0.0000000000000000    0.0000000000000000
    -2.2237088059999999   15.1963622750000003    0.0000000000000000
    -2.2236678040000002   -7.6023229440000000   13.1579338410000002
   Fe   H    C    O 
     6     7    24    19
Direct
  0.0927746945420296  0.2929891812248187  0.7220358541700946
  0.8308597404918814  0.4049819362447167  0.6925715017356708
  0.4169120058233133  0.2824427562941949  0.5893964883631426
  0.8259099939175911  0.6932565923779350  0.4093378234823746
  0.4166952572594695  0.5950447383632280  0.2897871387769655
  0.1316874903924514  0.7136634370994699  0.3113414347194094
  0.7361324932163598  0.4785122801027057  0.4817101283979639
  0.2591158527351141  0.0015002468488206  0.5189135378325531
  0.2547625186143492  0.5262353773222372  0.0030863508276227
  0.1019752420627853  0.5814139019463767  0.5878172130566170
  0.5214100639384114  0.0010909628457227  0.4120449354370663
  0.5145736128033178  0.4191808382594147  0.9989425512266479
  0.9608441986789913  0.1730730284395321  0.7784147666166987
  0.5085259989908835  0.4665439573642232  0.5638712042221456
  0.0444836385103997  0.0949246937711052  0.5255893579925797
  0.9455470466834797  0.4449489325107479  0.9083546204463673
  0.0374537178543051  0.5347891175562154  0.0957429954598581
  0.9484207496179451  0.9074559399126727  0.4380725780850980
  0.5077047990224344  0.5609827169819113  0.4710595200506731
  0.5986750496317441  0.5025746721941573  0.5061843356626738
  0.0977444232406555  0.0011906764359679  0.4934391735402244
  0.0927646098943029  0.5015435632073988  0.0024357927610268
  0.3253407367445149  0.4969434624247526  0.5952697509083009
  0.8294251805246233  0.0940369177378528  0.4932438541206992
  0.7304531349354875  0.4128922575012552  0.9072701036694610
  0.8210292970432960  0.5029881938805616  0.0934873221635328
  0.7340402716033907  0.9082515459358760  0.4070084304051349
  0.3235102129497065  0.5908831095416573  0.5031717046159585
  0.2081555547447991  0.4591546467328911  0.6490608710456129
  0.7475289313858440  0.1844365166341717  0.5290427877292743
  0.5596287256712742  0.3573116014521958  0.8158856952562488
  0.7387373665305219  0.5377430797214728  0.1835516145000184
  0.5606928487752185  0.8189282492294012  0.3571829784821929
  0.2040837395039006  0.6446155346326563  0.4671797315810835
  0.2421509724781998  0.5593592517061197  0.5651951202875765
  0.6840583670112750  0.0011861482157798  0.4342429494664302
  0.6774471821378327  0.4421742338060426  0.9997496688279668
  0.5887140338100139  0.4013909000175460  0.5843729032928167
  0.1896321173288769  0.1807918353060245  0.5893630484625234
  0.0101432398325301  0.4269053693668852  0.8245162296070276
  0.1830077042859344  0.5976323441820242  0.1817428198756090
  0.0076847627922803  0.8224186741409909  0.4205546301469667
  0.5876101594449352  0.5821027318082415  0.4064802319748964
  0.2576667729659334  0.3882196335606594  0.6645792649262461
  0.8764511656038323  0.2716331846638482  0.5936851556175853
  0.6028679834474744  0.3400997350001020  0.7295347518839961
  0.8679365437067545  0.6050853335707629  0.2706154357536548
  0.6016214790094310  0.7329492736261329  0.3427377014123394
  0.2625894943960105  0.6621820497487647  0.3980807369374872
  0.0513257547579258  0.4940007954243981  0.6768319485123016
  0.5537296741475188  0.1784300487640209  0.5008742314438592
  0.3746399863959127  0.3288408026544474  0.8191909254333822
  0.5476449250468818  0.5076897434527936  0.1791725075143589
  0.3735909920536145  0.8225501770602435  0.3310094162678183
  0.0437412331325717  0.6709561028051141  0.4976586810002033
  0.9097507785863712  0.2036066341753369  0.7394740023453821
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
