48
isph-state-1-BS2-glh126_conf2_QM_ESP SCF Done: -9426.17594438 A.U.
  H     -2.734758     5.738510    -0.870246
  C     -2.503646     4.667312    -1.041647
  H     -3.441485     4.140539    -1.211702
  H     -1.910128     4.587084    -1.954550
  S     -1.606634     3.889323     0.372021
  H     -3.305029    -1.403418     5.558218
  C     -2.979940    -1.219079     4.508193
  H     -2.386706    -0.305952     4.496720
  H     -2.312072    -2.032333     4.228302
  S     -4.312001    -1.106852     3.211822
  H     -5.142395    -2.619975    -4.310092
  C     -4.824024    -2.058861    -3.412710
  H     -5.651862    -1.423014    -3.094210
  H     -4.624079    -2.770512    -2.612050
  S     -3.325831    -1.024649    -3.728459
  C      1.635343    -2.212447     1.115238
  O      0.911580    -2.222738    -0.151825
  C      2.237210    -0.787923     1.240994
  C      2.325658     0.002428     0.172958
  C      2.822070     1.424496     0.210780
  O      3.972787     1.640484    -0.589211
  P      5.488210     1.459829     0.103636
  O      5.528225    -0.167294     0.345306
  P      6.104921    -1.333259    -0.658148
  O      5.133538    -2.603532    -0.112668
  O      7.511323    -1.697387    -0.262397
  O      5.727968    -1.021526    -2.078749
  O      5.488852     2.025241     1.504292
  O      6.460601     1.876113    -0.968805
  C      2.708934    -0.236804     2.577211
  H      2.402309    -2.992821     1.120640
  H      0.962749    -2.454825     1.950434
  H      0.270486    -2.803305     0.464962
  H      2.071325    -0.378426    -0.812481
  H      2.029472     2.067601    -0.196753
  H      2.988328     1.755421     1.243408
  H      3.473047     0.522118     2.432235
  H      1.896932     0.225798     3.162314
  H      3.136553    -1.037429     3.185330
  H      4.205973    -2.343968    -0.211782
  Fe    -1.835262     1.667807    -0.029317
  Fe    -0.579382    -0.876209     0.025928
  Fe    -2.763545    -0.447143    -1.590367
  Fe    -3.168418    -0.530957     1.280625
  S     -0.719892     0.655247    -1.801395
  S     -2.569234    -2.273970    -0.160189
  S     -1.093047     0.478181     1.814931
  S     -4.074765     1.030832    -0.322685
