%chk=000165526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165526

0 1
 S   -1.287400       2.409600       1.078700    
 O   -2.420300      -2.281000       1.105900    
 O   -4.816200      -1.854400      0.2026000    
 O   -5.231900      4.1400000E-02 -0.9558000    
 O    6.736300      -1.202600     -0.9765000    
 O    6.188500     -0.3815000       1.068700    
 N   -3.074000     -0.4148000     -0.2060000    
 N  -0.8802000     -0.7196000      0.3020000    
 C  -0.8833000      0.4206000     -0.5885000    
 C   -2.376800      0.7598000     -0.7440000    
 C  -0.1232000       1.640800     -7.4400000E-02
 C   -2.720300       2.033600      4.2199999E-02
 C    1.216900       1.347600      0.5791000    
 C   -2.160200      -1.262200      0.4783000    
 C    2.211300      0.6465000     -0.3498000    
 C    3.596200      0.3755000      0.2448000    
 C   -4.430700     -0.6791000     -0.3685000    
 C    4.565900     -0.2715000     -0.7436000    
 C    5.889400     -0.6085000     -9.5299996E-02
 H  -0.4661000      6.9399998E-02  -1.539500    
 H   -2.674100      0.8829000      -1.791900    
 H   2.2000000E-02   2.347800     -0.9002000    
 H   -2.857000       2.872000     -0.6485000    
 H   -3.623600       1.942900      0.6523000    
 H    1.668000       2.291700      0.9129000    
 H    1.090000      0.7371000       1.482500    
 H  -3.9700001E-02  -1.171500      0.6481000    
 H    1.794200     -0.3111000     -0.6821000    
 H    2.334500       1.258500      -1.252600    
 H    4.024600       1.318800      0.6069000    
 H    3.482800     -0.2695000       1.125400    
 H    4.754400      0.4110000      -1.579200    
 H    4.132600      -1.200300      -1.130800    
 H   -5.774600      -2.022800      7.7799998E-02
 H    7.598700      -1.421600     -0.5633000    


%chk=000165526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165526

0 1
S -1.364514 2.275033 1.169162
O -2.426565 -2.370884 1.192065
O -5.029801 -1.637348 0.480664
O -5.226338 0.326040 -0.766151
O 6.926864 -0.955960 -0.982181
O 6.320298 -0.242813 1.143081
N -3.127600 -0.442468 -0.107029
N -0.937930 -0.903864 0.094957
C -0.923294 0.315628 -0.715255
C -2.455606 0.682486 -0.808926
C -0.145547 1.502903 -0.071565
C -2.704761 2.056236 -0.135488
C 1.192053 1.146845 0.596890
C -2.186936 -1.367268 0.491510
C 2.245790 0.591992 -0.394674
C 3.605920 0.332431 0.289449
C -4.512216 -0.524997 -0.168902
C 4.656388 -0.212134 -0.696770
C 6.007494 -0.449950 -0.048748
H -0.501506 0.111392 -1.719167
H -2.815211 0.716114 -1.851970
H 0.020979 2.263993 -0.860159
H -2.613029 2.865301 -0.880197
H -3.697129 2.108890 0.332786
H 1.600032 2.059582 1.072934
H 1.016063 0.424355 1.417918
H -0.100978 -1.394845 0.400347
H 1.883174 -0.349120 -0.859652
H 2.382145 1.315049 -1.225727
H 3.980427 1.268813 0.744648
H 3.479902 -0.381991 1.125262
H 4.806988 0.484027 -1.545243
H 4.326301 -1.167489 -1.149973
H -6.018722 -1.607845 0.386995
H 7.803566 -1.102635 -0.533190


