%chk=000035890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035890

0 1
 S    1.411900     -0.2712000      -1.910300    
 O   -1.649400      0.2648000       1.150900    
 N   -4.824400      0.8601000     -0.5900000    
 C  -0.3260000      0.1710000      0.7485000    
 C   8.5500002E-02  -1.204100      0.3916000    
 C   -3.925700      0.5866000      0.5214000    
 C   -2.485000      0.5138000      4.1499998E-02
 C    1.888800       1.322600      0.3530000    
 C   0.8365000      -1.516300     -0.7592000    
 C   0.4679000       1.257300      0.7354000    
 C    2.415900      0.7067000     -0.7971000    
 C  -0.3230000      -2.258200       1.230400    
 C    1.154000      -2.853500      -1.048200    
 C    2.738000       2.103200       1.154900    
 C    3.773500      0.8676000      -1.113600    
 C   -4.462400       2.115700      -1.252300    
 C   -6.214800      0.9133000     -0.1315000    
 C   4.4000000E-03  -3.583000      0.9382000    
 C   0.7413000      -3.880500     -0.2016000    
 C    4.088000       2.251200      0.8356000    
 C    4.605300       1.632800     -0.2974000    
 H   -4.183000     -0.3715000      0.9917000    
 H   -4.012100       1.343900       1.312600    
 H   -2.166100       1.459700     -0.4093000    
 H   -2.385700     -0.2848000     -0.7060000    
 H   4.3600000E-02   2.205700       1.062500    
 H  -0.9014000      -2.058800       2.130700    
 H    1.729700      -3.111200      -1.934700    
 H    2.355200       2.603900       2.042100    
 H    4.199500      0.4000000      -1.998600    
 H   -5.238200       2.403700      -1.972700    
 H   -4.344600       2.945000     -0.5452000    
 H   -3.552300       2.013800      -1.851400    
 H   -6.499700     -3.3000000E-02  0.3418000    
 H   -6.381800       1.723500      0.5876000    
 H   -6.895200       1.056000     -0.9784000    
 H  -0.3191000      -4.380500       1.600700    
 H   0.9951000      -4.910800     -0.4327000    
 H    4.732700       2.853100       1.469300    
 H    5.655200       1.749800     -0.5495000    


%chk=000035890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035890

0 1
S 1.972854 -0.291606 -1.922217
O -1.459896 0.800626 0.807474
N -5.009988 0.736969 -0.396614
C -0.142561 0.453851 0.396137
C 0.078492 -0.984127 0.096654
C -3.852370 0.916240 0.510242
C -2.534845 0.559522 -0.191780
C 2.247638 1.405739 0.357236
C 1.017110 -1.459943 -0.860142
C 0.788429 1.453820 0.524872
C 2.921569 0.629606 -0.631798
C -0.680115 -1.948868 0.822923
C 1.190783 -2.844953 -1.079993
C 3.052245 2.225530 1.204787
C 4.329852 0.639714 -0.736826
C -5.158891 1.834039 -1.375777
C -6.269761 0.480146 0.330748
C -0.518296 -3.329207 0.596981
C 0.417396 -3.783462 -0.362248
C 4.455976 2.251193 1.094748
C 5.102926 1.451970 0.122866
H -3.972814 0.237685 1.374380
H -3.780497 1.954552 0.918810
H -2.341677 1.200629 -1.073842
H -2.546154 -0.497762 -0.514500
H 0.382125 2.403456 0.898795
H -1.387697 -1.587171 1.576786
H 1.927076 -3.178270 -1.818213
H 2.552968 2.837963 1.964951
H 4.812390 0.022606 -1.501605
H -5.975114 1.591433 -2.079338
H -5.394174 2.818758 -0.896473
H -4.234379 1.954741 -1.965581
H -6.152150 -0.402266 0.984186
H -6.603547 1.340705 0.965028
H -7.075392 0.262010 -0.393424
H -1.113545 -4.048515 1.169667
H 0.547855 -4.855049 -0.547868
H 5.044291 2.889739 1.762700
H 6.193985 1.465357 0.027968


