Fe  H  C  S  O                          
   1.00000000000000     
     6.9346600000000000    0.0000000000000000    0.0000000000000000
    -2.3080482679999998   15.7046033410000003    0.0000000000000000
    -2.3148713060000001   -7.8563973740000002   13.5968266430000000
   Fe   H    C    S    O 
     6     6    24     6    13
Direct
  0.1101065477228715  0.3398159957675517  0.1125115470077418
  0.8852720360995718  0.6590484523731419  0.8884014128560480
  0.7717553788248637  0.2743122882482822  0.1586892336463563
  0.1999698798988305  0.7412791388349405  0.8385758162085608
  0.4952395219954724  0.3877270914824109  0.2255092368614200
  0.5040927593120301  0.6127565001060589  0.7710019606227050
  0.3528894357095780  0.9977181244626223  0.0609436320515684
  0.6551738077374694  0.0038804486861963  0.9500577111976654
  0.3540007644198511  0.5573110047753644  0.5057621296907797
  0.6444165554201930  0.4421760896909390  0.4926303891245425
  0.2063161267452145  0.5565094245607867  0.0568720937835963
  0.7933779036208932  0.4461398340547191  0.9407364185661038
  0.9610911304174365  0.0900328852745389  0.0139186888947691
  0.0465107029642553  0.9129880099902081  0.9988095278828624
  0.1317550564983279  0.5763669895581245  0.5901553510010444
  0.8677770124627244  0.4206256753389042  0.4086681507306480
  0.4462705289799729  0.4914000152909779  0.0782028062810838
  0.5530750445910186  0.5110946359213031  0.9197903546441495
  0.1615382779550814  0.0865905379801433  0.0452370259730159
  0.8472297039513421  0.9159223083024131  0.9664196172395094
  0.0733675523547817  0.4547677257409859  0.4141194227035925
  0.9266093691460000  0.5417776922602471  0.5845775789229464
  0.6168445992603822  0.4607042049083816  0.0444258072754806
  0.3861012582950565  0.5443334289550634  0.9547455697453628
  0.3399914125235739  0.1698983350245626  0.0867224412695649
  0.6690829650697623  0.8307324169259900  0.9171103175327886
  0.1691864959585203  0.4169209675334216  0.3305138851875853
  0.8361861592067044  0.5743676073813546  0.6702137373128494
  0.7508286527182051  0.4152991837750264  0.0830201067968446
  0.2594955024365149  0.5946916572113281  0.9184510715541947
  0.1980966623935032  0.9988070369962045  0.0375131649017959
  0.8095050564815480  0.0037749524028214  0.9758078372522760
  0.1980838915579142  0.5317956605619685  0.5039867154243609
  0.8009226308446245  0.4669840938666923  0.4947853037064007
  0.3363701932578351  0.5321399310842878  0.0315992849861928
  0.6639501647621842  0.4710656636144179  0.9663372450780159
  0.8796047064955488  0.1882603789662696  0.0086292193818949
  0.1257032988480375  0.8110372018722103  0.9956176066250961
  0.6871755093003316  0.3198359485094571  0.3085837681221051
  0.3125216536723130  0.6771328854930161  0.6916393248892021
  0.3646954466906678  0.4917967551273748  0.1786916950398023
  0.6300765657252541  0.5067057880013763  0.8172745223401776
  0.3151837129040942  0.2584213873807286  0.1143877200788381
  0.6976590965602796  0.7413332839177613  0.8741201393575793
  0.0565442952357671  0.3576362087268024  0.2415960787211446
  0.9559989959613873  0.6105342779932812  0.7557851747187243
  0.6983512535669050  0.3864873656939807  0.1429612990616960
  0.3245059889105519  0.6353870437986870  0.8699294556417314
  0.5147921701109297  0.1564066771417458  0.0974587699610225
  0.4965187880801949  0.8449081010293042  0.9135455151511280
  0.3572628804002989  0.4430952181148697  0.3442487076504506
  0.6468516870028580  0.5611751385607278  0.6573614737230997
  0.9121417014465507  0.4024152051025283  0.0565426051376363
  0.0911408294922680  0.5996575117347760  0.9397810485859566
  0.0867748963692421  0.8122742670169742  0.8098705888604627
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
