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    10    25     6    13
Direct
  0.1107081388550810  0.3399333746199034  0.1126328988527945
  0.8857588892357242  0.6591988440185190  0.8890317069846034
  0.7723928632981014  0.2744244886612961  0.1588282366688674
  0.2036220708543937  0.7414942121064527  0.8412154027049041
  0.4959685889158720  0.3879022335531914  0.2257129608679662
  0.5055555860731005  0.6127912755730520  0.7708092686020720
  0.3536798625856292  0.9988201818155815  0.0639752217807228
  0.6564648401541504  0.0036258012844073  0.9500018158023664
  0.3541887950317815  0.5578822659597051  0.5059761502175064
  0.6455390155556628  0.4408573482131715  0.4929231044841202
  0.2098272650235700  0.5587163130945214  0.0590255374339961
  0.7927106451324235  0.4453943255044308  0.9404312002891544
  0.8880181254336534  0.7956576726056710  0.6923527266449696
  0.7087701409017200  0.7082460974517844  0.5788027020298614
  0.8598748591956920  0.8164906578005642  0.5903178889268403
  0.6644805679740742  0.8258455195191061  0.6544534422361821
  0.9620540239423505  0.0901677534391752  0.0145217707913972
  0.0477766679548637  0.9134938298295623  0.0005560120900654
  0.1322764733760735  0.5758322810340673  0.5905311739878485
  0.8685645795837900  0.4203322209554159  0.4088490752996350
  0.4479689547581245  0.4921728115595982  0.0792155425879812
  0.5539656359390648  0.5115727193754296  0.9205258203717435
  0.1622939463896671  0.0869863244983691  0.0464711374639251
  0.8489605458777589  0.9161101291708249  0.9671234579408150
  0.0739304204766071  0.4548683095103527  0.4142797542322114
  0.9275652056765296  0.5406948506375784  0.5849739949501256
  0.6176284638970486  0.4608684159711913  0.0448737059035835
  0.3881370427164867  0.5454961285699511  0.9561253034503352
  0.3406797587412953  0.1702003276700026  0.0872306480873348
  0.6713610904085101  0.8307505922530680  0.9173375764426126
  0.1698007138212034  0.4171366618901260  0.3306484754157353
  0.8375344389107084  0.5732773541870699  0.6707175313362583
  0.7516501758369714  0.4153690785800066  0.0832731070071375
  0.2618194607187192  0.5958412115862899  0.9198388953821706
  0.1990599507200272  0.9995253460531899  0.0396783760038417
  0.8107121623947648  0.0037542325372684  0.9761571834728855
  0.1985897657527076  0.5318652865356484  0.5042404511003795
  0.8018564702976718  0.4660616706440663  0.4951243534068226
  0.3388277052957065  0.5336027741727918  0.0331525886028743
  0.6642395781118253  0.4709653885833163  0.9665784778366699
  0.7803280134100987  0.7865467241337072  0.6289644065148678
  0.8803459761076198  0.1881747915183496  0.0088616265518127
  0.1257911464005659  0.8114385250234619  0.9979688905562227
  0.6876998800613592  0.3198078046592769  0.3086102448882997
  0.3121202639996454  0.6769366395962209  0.6922093108280833
  0.3657377336790262  0.4922051761411339  0.1793808264265593
  0.6306002846810372  0.5070867844027802  0.8179062874001843
  0.3162191203115228  0.2586502813895351  0.1139479115737387
  0.7002186856832395  0.7415197692091695  0.8726727428056691
  0.0573709967155267  0.3575368639123937  0.2417093404431938
  0.9571953661409722  0.6092580773527061  0.7562698466332165
  0.6999590854272952  0.3870792018319591  0.1436886746662935
  0.3282537455561112  0.6368553171672033  0.8718563758480329
  0.5153834186667581  0.1566339171184197  0.0980530262689143
  0.4989925343567521  0.8450210930519049  0.9151282373969138
  0.3578206254315717  0.4435121842570240  0.3443935943987881
  0.6481723744869541  0.5604431072840796  0.6577667153390081
  0.9124434580837573  0.4020793454419120  0.0563256427479928
  0.0927892087997364  0.6003480440939057  0.9404753282328073
  0.0939405771139477  0.8149384849755137  0.8153578986540566
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
