%chk=000096612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096612

0 1
 S   0.1936000      -1.916300      0.8063000    
 O   -2.430500       1.648100      0.1820000    
 O  -0.7571000       1.303700       1.690900    
 O   0.9429000       2.414900      -1.527200    
 N   0.7849000      0.4044000     -0.3381000    
 C   -1.023200      -1.249100     -0.3831000    
 C  -0.6638000      0.2414000     -0.4854000    
 C    1.464200     -0.6285000      0.4650000    
 C   -2.444400      -1.522200      0.1165000    
 C  -0.8248000      -1.942800      -1.739600    
 C    1.955400     -6.6299997E-02   1.802600    
 C    2.618600      -1.292100     -0.2960000    
 C   -1.256800       1.108800      0.5928000    
 C    1.441000       1.495700     -0.8867000    
 H  -0.9593000      0.6654000      -1.453900    
 H   -2.618700      -1.130000       1.124700    
 H   -3.183500      -1.063200     -0.5502000    
 H   -2.657900      -2.597500      0.1450000    
 H   0.1684000      -1.762700      -2.163300    
 H  -0.9683000      -3.027200      -1.664600    
 H   -1.552900      -1.569200      -2.469500    
 H    2.521900     -0.8221000       2.360800    
 H    2.628200      0.7851000       1.649200    
 H    1.153400      0.2734000       2.460500    
 H    3.046200      -2.130700      0.2662000    
 H    2.305000      -1.664400      -1.277200    
 H    3.434800     -0.5833000     -0.4750000    
 H    2.521900       1.479100     -0.6783000    
 H   -2.834700       2.215300      0.8728000    


%chk=000096612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096612

0 1
S 0.202618 -1.990199 0.863484
O -2.579162 1.579776 0.139211
O -0.914126 1.449193 1.749808
O 0.881114 2.347337 -1.561087
N 0.818727 0.353187 -0.337557
C -1.049428 -1.242314 -0.393767
C -0.647931 0.271520 -0.442592
C 1.550265 -0.664008 0.494098
C -2.469513 -1.512303 0.137806
C -0.842603 -1.874841 -1.786607
C 2.027747 -0.074112 1.837672
C 2.705709 -1.310894 -0.299603
C -1.341209 1.140666 0.619334
C 1.468279 1.428848 -0.920736
H -0.944610 0.697043 -1.418580
H -2.595586 -1.149496 1.171874
H -3.219922 -1.016175 -0.503511
H -2.671795 -2.597839 0.130478
H 0.155829 -1.635159 -2.190675
H -0.934187 -2.972350 -1.726216
H -1.605322 -1.497166 -2.495141
H 2.440006 -0.872379 2.479996
H 2.827576 0.671584 1.663470
H 1.189913 0.415084 2.357190
H 3.135306 -2.142325 0.284488
H 2.351202 -1.712852 -1.262946
H 3.516114 -0.581988 -0.491984
H 2.568896 1.410101 -0.777424
H -3.019409 2.149759 0.826717


