%chk=000100202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100202

0 1
 S    1.457300      -1.522100     -0.8563000    
 O   0.3160000      -1.654100      -1.736900    
 O    2.781900      -1.991800      -1.200000    
 O   -1.882000      0.4521000      0.3997000    
 O   -1.994200      -1.821600      2.3399999E-02
 N    1.037100      -2.075900      0.7365000    
 C   0.7046000     -0.9039000       1.634300    
 C    1.134900      0.3486000      0.9196000    
 C    1.566900      0.1516000     -0.3902000    
 C  -0.7862000     -0.9311000       1.936000    
 C    1.153600       1.632800       1.445800    
 C    2.022100       1.168900      -1.206200    
 C   -1.619500     -0.8593000      0.6791000    
 C    1.605300       2.687400      0.6441000    
 C    2.037100       2.456000     -0.6721000    
 C   -2.668500      0.6866000     -0.7729000    
 C   -4.011900     -1.0800000E-02 -0.6323000    
 C   -2.854500       2.186700     -0.9514000    
 H    1.290100      -1.011500       2.554900    
 H    1.726500      -2.702900       1.173600    
 H   -1.077800     -0.1157000       2.609100    
 H   -1.058000      -1.860600       2.451600    
 H   0.8282000       1.823800       2.463400    
 H    2.352100      0.9840000      -2.221800    
 H    1.624400       3.697400       1.044700    
 H    2.384800       3.288700      -1.277300    
 H   -2.129500      0.3014000      -1.647300    
 H   -4.733600      0.3892000      -1.353500    
 H   -3.962700      -1.084100     -0.8299000    
 H   -4.425700      0.1196000      0.3739000    
 H   -3.427900       2.415800      -1.854800    
 H   -1.880700       2.683600      -1.021200    
 H   -3.367700       2.622900     -8.7300003E-02


%chk=000100202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100202

0 1
S 1.598635 -1.045966 -1.279772
O 0.635372 -1.069807 -2.582733
O 3.125769 -1.581244 -1.470444
O -1.775248 0.004961 0.255453
O -2.805439 -1.912594 1.098198
N 0.771331 -1.871175 0.175897
C 0.714642 -0.993944 1.375884
C 1.048222 0.432346 0.928790
C 1.521538 0.593075 -0.378269
C -0.673318 -1.155722 2.056433
C 0.963536 1.587094 1.737521
C 1.900124 1.814866 -0.949975
C -1.860789 -1.090007 1.098261
C 1.340260 2.840569 1.206103
C 1.803061 2.961057 -0.128297
C -2.864932 0.158749 -0.789823
C -4.054844 0.881725 -0.144645
C -2.212989 0.912546 -1.949548
H 1.484264 -1.291973 2.122037
H 1.190385 -2.804224 0.306050
H -0.794461 -0.381905 2.839204
H -0.727024 -2.139301 2.551809
H 0.601666 1.515822 2.769183
H 2.253289 1.879907 -1.983496
H 1.271888 3.733691 1.835998
H 2.087906 3.940717 -0.524810
H -3.155806 -0.864804 -1.089413
H -4.855309 1.023552 -0.893780
H -4.467296 0.291500 0.690834
H -3.750145 1.876008 0.227961
H -2.948588 1.042989 -2.764461
H -1.348960 0.349883 -2.342281
H -1.874241 1.913308 -1.625570


