%chk=000060117.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060117

0 1
 S   -1.194500     -0.8609000      -1.559500    
 S  -0.9021000      -2.725300      0.7261000    
 O    3.743100      -1.623300     -0.4252000    
 O    2.241900       1.430300      0.4766000    
 N   -3.286600      -1.501200      6.1000001E-02
 C   -4.100700     -0.6178000     -0.7777000    
 C   -4.036600      -2.134500       1.149700    
 C   -1.914200      -1.718000     -0.1780000    
 C   -4.690000      -1.358000      -1.934400    
 C   -3.973100      -1.318300       2.399800    
 C   1.6700000E-02  7.2499998E-02 -0.7656000    
 C  -0.4177000       1.403400     -0.3166000    
 C    1.261300     -0.4190000     -0.6293000    
 C  -0.3194000       2.481300      -1.184200    
 C  -0.9187000       1.560000      0.9674000    
 C    2.414300      0.3082000      3.3000000E-03
 C  -0.7311000       3.744000     -0.7583000    
 C   -1.330600       2.822900       1.393200    
 C    3.707000     -0.3860000      8.1799999E-02
 C   -1.236800       3.914900      0.5302000    
 C    4.882200      2.7200000E-02  0.5896000    
 C    5.763000      -1.061700      0.3854000    
 C    5.022400      -2.040700     -0.2352000    
 H   -4.901300     -0.1880000     -0.1635000    
 H   -3.520200      0.2401000      -1.126900    
 H   -5.076900      -2.281100      0.8372000    
 H   -3.634100      -3.133800       1.341400    
 H   -3.923200      -1.798100      -2.579200    
 H   -5.338200      -2.174900      -1.599500    
 H   -5.296400     -0.6853000      -2.549500    
 H   -2.944500      -1.178300       2.746700    
 H   -4.402900     -0.3221000       2.250400    
 H   -4.533200      -1.805400       3.204500    
 H    1.485700      -1.405300      -1.028200    
 H   7.4000001E-02   2.363300      -2.190600    
 H  -0.9951000      0.7211000       1.653800    
 H  -0.6576000       4.594400      -1.429800    
 H   -1.723700       2.956100       2.396800    
 H   -1.557200       4.898200      0.8619000    
 H    5.109000      0.9772000       1.051400    
 H    6.806900      -1.125200      0.6565000    
 H    5.246100      -3.036900     -0.5879000    


%chk=000060117-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060117

0 1
S -1.040384 -0.908851 -0.912712
S -1.839034 -1.150451 2.101145
O 3.897073 -1.738827 -0.802510
O 2.940714 1.512846 0.572037
N -3.585912 -1.328091 -0.000126
C -3.988081 -1.246200 -1.431280
C -4.682030 -1.647946 0.959417
C -2.313561 -1.126887 0.469072
C -3.916363 -2.608333 -2.154226
C -5.347058 -0.375703 1.522259
C 0.233481 0.165094 -0.089697
C -0.237229 1.466235 0.432057
C 1.508372 -0.351614 -0.165178
C -1.246335 2.200055 -0.253999
C 0.282908 1.991790 1.647646
C 2.796224 0.337958 0.092779
C -1.707803 3.433549 0.248555
C -0.194440 3.214728 2.157526
C 4.011863 -0.428271 -0.260982
C -1.187038 3.943752 1.460633
C 5.362408 -0.099716 -0.161892
C 6.119549 -1.223111 -0.649279
C 5.199987 -2.194200 -1.026554
H -5.021139 -0.853093 -1.454319
H -3.341140 -0.510152 -1.938769
H -5.417553 -2.275485 0.422695
H -4.246393 -2.240131 1.782688
H -2.879410 -2.984933 -2.182661
H -4.544980 -3.364052 -1.649653
H -4.275051 -2.503664 -3.194400
H -4.604266 0.223713 2.074762
H -5.778706 0.246438 0.717000
H -6.160611 -0.651918 2.217344
H 1.610896 -1.379720 -0.528857
H -1.650451 1.804368 -1.192255
H 1.046132 1.432126 2.191362
H -2.472058 3.994396 -0.300945
H 0.207215 3.599431 3.101125
H -1.551750 4.897296 1.859338
H 5.740782 0.845335 0.220804
H 7.202476 -1.306747 -0.712790
H 5.285694 -3.195015 -1.441562


