Fe  H  C  O                             
   1.00000000000000     
     6.5959989840000004   -0.0000360350000000   -0.9961293540000000
    -3.3336337980000001   13.1592832919999996   -7.1829940499999996
     0.0704716710000000   -0.0023716150000000   15.3579590310000000
   Fe   H    C    O 
     6     6    24    18
Direct
  0.1274538979905913  0.3055681993540986  0.7100256684425972
  0.8223035993237318  0.4046122186576966  0.6945381147866811
  0.4175911229633158  0.2899410974773815  0.5953714250134112
  0.8223012860991474  0.6945370055104192  0.4046106396337237
  0.4175778958414966  0.5953730528355834  0.2899371385670193
  0.1274461072184465  0.7100294960090920  0.3055686269339901
  0.7370056741772402  0.4861077359253940  0.4861031303609025
  0.2508163400788774  0.0000560604881557  0.5138598289680658
  0.2508118163557214  0.5138531494331957  0.0000530752525592
  0.1027660752615844  0.5907536582443456  0.5907541684435387
  0.5119414737046526  0.9999806870292858  0.4092988685440062
  0.5119436153728003  0.4092950884714597  0.9999815872051130
  0.5101831060951980  0.4750165499065915  0.5687955933398641
  0.0351334225361342  0.0938406822765572  0.5248981638551911
  0.9412806218097884  0.4311627765835908  0.9062191719892425
  0.0351254939120693  0.5248958976084310  0.0938388780723614
  0.9412820625119593  0.9062185395784397  0.4311693407494559
  0.5101698328816937  0.5687980689651724  0.4750102716358171
  0.6004122085638315  0.5109087752325863  0.5109066186594688
  0.0894095821047642  0.0000389892075461  0.4890541479729578
  0.0894072342723362  0.4890466417761772  0.0000338774552233
  0.3259464166143005  0.5064351422087157  0.5994901658503267
  0.8194961300519239  0.0931061242886386  0.4934760453599480
  0.7263276708416839  0.4005086704151140  0.9069270000003442
  0.8194985953052125  0.4934775094022754  0.0931069432666334
  0.7263303091312494  0.9069290315408054  0.4005196762499068
  0.3259440800341125  0.5994887895846190  0.5064342767690064
  0.2074887314514697  0.4686474565743666  0.6523690737760717
  0.7388030861951975  0.1837901329719642  0.5312005883141069
  0.5549875678527698  0.3477070645729938  0.8162228560521001
  0.7387974318850752  0.5312038924657188  0.1837921433297893
  0.5549861688627189  0.8162180569606363  0.3477127038651346
  0.2074728987483709  0.6523652327101317  0.4686387960183183
  0.2433754232236751  0.5685786269856052  0.5685814293477378
  0.6747665560389464  0.0000210806031262  0.4313897557638739
  0.6747651329651774  0.4313824869062728  0.0000157047380966
  0.5901525673921029  0.4095197684085221  0.5883670048418637
  0.1805956294045004  0.1789365566446222  0.5904552037842805
  0.0017878607747335  0.4117167687986836  0.8211839877751999
  0.1805894172118130  0.5904600351221490  0.1789359727425150
  0.0017905405917986  0.8211895951429256  0.4117255146411765
  0.5901300673427841  0.5883688570211589  0.4095118283133559
  0.2704725876004801  0.4003781455709685  0.6703006239675560
  0.8700931319449268  0.2700255702496648  0.5994316924086718
  0.6001908563485117  0.3297947838510353  0.7300346144629728
  0.8700860824583359  0.5994377942888462  0.2700258796494168
  0.6001909418369422  0.7300385284915052  0.3298101141805247
  0.2704484315658533  0.6702932883697130  0.4003705382420364
  0.0446914708417836  0.4968270610941516  0.6773585141553724
  0.5477893665096900  0.1805837574473728  0.5030675695556539
  0.3671881370295864  0.3227422306571910  0.8193622849774442
  0.5477812264965607  0.5030667601143151  0.1805823611287920
  0.3671913621472740  0.8193667109719343  0.3227496761805639
  0.0446770677015635  0.6773545098631999  0.4968236689051366
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
