%chk=000036826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036826

0 1
 S    3.614400       1.667200     -0.2859000    
 S    3.478000      -1.692000      0.7021000    
 O   0.6419000       2.125100      -1.089700    
 O   0.4689000      -2.295800      0.1898000    
 N   -3.522200      0.2044000      9.7000003E-03
 N   0.1510000     -9.9200003E-02 -0.5545000    
 C   -2.106200      0.2080000      0.3538000    
 C   -1.263900     -0.1252000     -0.8689000    
 C   -4.339200      0.5244000       1.181800    
 C   -3.915900      -1.092800     -0.5438000    
 C   0.9462000       1.010900     -0.6973000    
 C   0.8590000      -1.168400     -6.4599998E-02
 C    2.295700      0.5931000     -0.2682000    
 C    2.242000     -0.6822000      0.1138000    
 C    5.002300      0.5107000     -6.4099997E-02
 C    4.770500     -0.4679000       1.081000    
 C   -3.947900       1.867900       1.773700    
 C   -5.374500      -1.088300     -0.9689000    
 H   -1.887800     -0.4991000       1.165500    
 H   -1.781200       1.197500      0.6935000    
 H   -1.456100      0.5909000      -1.676500    
 H   -1.446800      -1.136200      -1.240900    
 H   -5.393400      0.6204000      0.9024000    
 H   -4.269500     -0.2520000       1.954200    
 H   -3.375700      -1.313400      -1.467800    
 H   -3.731800      -1.915300      0.1584000    
 H    5.890700       1.113600      0.1519000    
 H    5.193500     -1.4600000E-02  -1.006900    
 H    5.694000      -1.025000       1.270900    
 H    4.516000      5.5700000E-02   2.009600    
 H   -3.006300       1.822700       2.329600    
 H   -3.873700       2.645600       1.005700    
 H   -4.714200       2.189600       2.488200    
 H   -6.058900      -1.137700     -0.1164000    
 H   -5.619800     -0.2075000      -1.572300    
 H   -5.580900      -1.971900      -1.583800    


%chk=000036826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036826

0 1
S 3.675426 1.707457 0.693394
S 3.724273 -1.864494 -0.312877
O 0.503757 2.284936 0.307281
O 0.588630 -2.207752 -1.067171
N -3.561400 -0.019973 0.263092
N 0.167414 0.054759 -0.454983
C -2.118065 -0.006180 0.584539
C -1.280020 0.109377 -0.713719
C -4.397224 0.767804 1.206374
C -4.083528 -1.386556 -0.007602
C 0.940156 1.138359 0.038704
C 0.983122 -1.092146 -0.647773
C 2.351123 0.627325 0.150675
C 2.375742 -0.684593 -0.249202
C 5.139831 0.606133 0.187462
C 5.015809 -0.853115 0.648135
C -4.234986 2.288428 1.019079
C -5.297423 -1.392612 -0.956271
H -1.800208 -0.916696 1.146169
H -1.889347 0.865002 1.223022
H -1.521658 1.063463 -1.212110
H -1.518395 -0.720677 -1.400996
H -5.453544 0.500863 1.020606
H -4.184433 0.491993 2.270378
H -3.269422 -1.972606 -0.474205
H -4.344017 -1.916794 0.943388
H 6.004248 1.086493 0.676792
H 5.256795 0.676608 -0.905047
H 5.958867 -1.392981 0.456496
H 4.772259 -0.919205 1.719759
H -3.192790 2.616018 1.186301
H -4.519183 2.576650 -0.007983
H -4.877332 2.837141 1.733186
H -6.154767 -0.838257 -0.533411
H -5.030022 -0.921529 -1.918072
H -5.631491 -2.429440 -1.148311


