%chk=000131624.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131624

0 1
 S   -3.892300     -0.1015000     -0.5749000    
 O    2.240800      -3.391300       1.470300    
 O  -0.5096000      -3.058300      -2.810100    
 O   0.3664000      -2.107900       1.827100    
 O   -5.046800     -0.6091000      0.1416000    
 O   -4.068100      0.8070000      -1.691700    
 N  -0.1115000      -1.842200     -0.8696000    
 N   -2.917200      -1.410000      -1.066500    
 N    2.040500       4.317000      -1.332400    
 N    1.061200       2.762900      -2.777100    
 C    1.075400      -2.539700     -0.4423000    
 C    2.339500      -1.917100      -1.053300    
 C    2.616600     -0.4954000     -0.6195000    
 C   -2.009100      -1.265600      -2.214000    
 C  -0.8115000      -2.161500      -2.027100    
 C    1.169000      -2.649400       1.073900    
 C    2.092600      0.5717000      -1.349200    
 C    3.395500     -0.2510000      0.5115000    
 C   -2.841700      0.7120000      0.5908000    
 C    2.347800       1.883000     -0.9480000    
 C    3.650600       1.060300      0.9128000    
 C    3.126700       2.127300      0.1830000    
 C   -2.888100      0.3555000       1.938600    
 C   -1.966200       1.710100      0.1632000    
 C   -1.183200       1.995200       2.430800    
 C   -2.058800      0.9971000       2.858600    
 C   -1.136900       2.351700       1.083100    
 C    1.802400       2.996200      -1.708400    
 C  -0.2966000       2.681200       3.414500    
 C    2.412700      -3.528200       2.884500    
 H   0.9888000      -3.570100     -0.8113000    
 H    3.215500      -2.533200     -0.8105000    
 H    2.269400      -1.942400      -2.149300    
 H  -0.4424000      -1.072200     -0.2947000    
 H   -1.655100     -0.2359000      -2.321200    
 H   -2.534400      -1.558700      -3.127900    
 H    1.488500      0.3607000      -2.228100    
 H    3.816900      -1.070500       1.086700    
 H   -3.230700      -2.364500     -0.8509000    
 H    4.258000       1.249800       1.793000    
 H    3.354900       3.125700      0.5393000    
 H   -3.557800     -0.4237000       2.291300    
 H   -1.907800       1.999700     -0.8821000    
 H   -2.103800      0.7103000       3.905900    
 H  -0.4596000       3.128400      0.7384000    
 H   0.6493000       2.980600       2.950000    
 H  -4.6599999E-02   2.019500       4.250900    
 H  -0.7925000       3.573500       3.809200    
 H    3.303600      -4.136600       3.061100    
 H    1.548200      -4.035000       3.323700    
 H    2.561300      -2.546600       3.344700    
 H    1.649000       5.080200      -1.874700    
 H    2.593600       4.584200     -0.5277000    
 H   0.7714000       3.664900      -3.171100    


%chk=000131624-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131624

0 1
S -3.597589 0.336673 -0.777851
O 2.624979 -3.440335 1.288662
O -0.069203 -2.799449 -3.098978
O 0.686223 -2.243408 1.771069
O -5.130385 -0.114578 -0.443708
O -3.226285 1.225916 -2.091791
N -0.001283 -2.107406 -0.872416
N -2.568222 -1.269237 -0.913060
N 2.178099 4.013867 -1.896689
N 0.235454 2.565637 -1.801561
C 1.273674 -2.761409 -0.578181
C 2.506200 -2.132231 -1.323296
C 2.837718 -0.704908 -0.926970
C -1.949793 -1.479627 -2.239630
C -0.589156 -2.196573 -2.107955
C 1.461396 -2.766365 0.938812
C 2.066630 0.377862 -1.411762
C 3.942196 -0.423846 -0.079453
C -2.882141 1.141311 0.764196
C 2.380302 1.715319 -1.069395
C 4.264235 0.906885 0.268913
C 3.490033 1.979553 -0.225708
C -3.650601 1.070189 1.935984
C -1.629378 1.767749 0.676990
C -1.850423 2.304853 3.082723
C -3.118443 1.667638 3.100542
C -1.125454 2.350065 1.861052
C 1.519473 2.812425 -1.622481
C -1.268113 2.914330 4.345129
C 2.914224 -3.508382 2.743635
H 1.225810 -3.813971 -0.926007
H 3.367160 -2.794614 -1.127488
H 2.262665 -2.197876 -2.398790
H -0.530552 -1.646164 -0.118246
H -1.777550 -0.486550 -2.705480
H -2.567679 -2.063918 -2.946605
H 1.213816 0.205393 -2.074617
H 4.552939 -1.252840 0.298383
H -3.254955 -2.001676 -0.652601
H 5.116865 1.108210 0.927114
H 3.726152 3.007358 0.074807
H -4.630372 0.581808 1.928453
H -1.055248 1.827055 -0.264081
H -3.695745 1.634562 4.031538
H -0.146356 2.843018 1.829473
H -0.463883 2.273456 4.754806
H -2.032789 3.032357 5.131618
H -0.824078 3.906427 4.146674
H 3.852044 -4.076011 2.815567
H 2.093931 -4.024685 3.269295
H 3.027120 -2.491467 3.154856
H 1.659206 4.818085 -2.244795
H 3.195253 4.056959 -1.913787
H -0.300323 3.340666 -2.242009


