%chk=000035955.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035955

0 1
 S  -0.3332000       1.006700     -0.9163000    
 O  -0.1607000      0.9921000      -2.355000    
 O  -0.7417000       2.209700     -0.2154000    
 O   -1.674500      -2.538200      0.1160000    
 N   -1.378300     -0.2829000     -0.4500000    
 C    1.201200      0.5065000     -0.2129000    
 C    1.470600     -0.8552000     -6.4199999E-02
 C   0.5235000      -1.904100     -0.5668000    
 C  -0.9216000      -1.633300     -0.2352000    
 C    2.097500       1.484400      0.2207000    
 C   -2.834000      3.1300001E-02 -0.4374000    
 C    2.692900      -1.227600      0.5107000    
 C    3.301900       1.095000      0.8017000    
 C    3.600600     -0.2587000      0.9456000    
 C   -3.249700      0.4961000      0.8869000    
 C   -3.594500      0.8780000       1.971700    
 H   0.6187000      -1.990000      -1.655500    
 H   0.7797000      -2.879500     -0.1355000    
 H    1.879600       2.542200      0.1088000    
 H   -3.052500      0.7921000      -1.195700    
 H   -3.406800     -0.8544000     -0.7338000    
 H    2.950000      -2.277900      0.6248000    
 H    4.009800       1.846000       1.140000    
 H    4.542600     -0.5617000       1.393700    
 H   -3.899800       1.217000       2.933900    


%chk=000035955-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035955

0 1
S -0.221406 0.950449 -1.401104
O 0.046533 0.513632 -2.940809
O -0.801020 2.428642 -1.072345
O -1.776199 -2.496180 0.040711
N -1.415894 -0.305127 -0.608050
C 1.260587 0.515503 -0.333405
C 1.460187 -0.863656 -0.122844
C 0.499919 -1.893244 -0.699717
C -0.983365 -1.612707 -0.385920
C 2.060788 1.542148 0.181423
C -2.786670 0.165500 -0.298288
C 2.579684 -1.212933 0.669698
C 3.173823 1.158134 0.966230
C 3.428857 -0.213174 1.200700
C -3.021011 0.384087 1.141494
C -3.245999 0.582651 2.335858
H 0.607860 -1.924645 -1.803704
H 0.720538 -2.898093 -0.310199
H 1.822254 2.593416 -0.007336
H -2.945143 1.113149 -0.847760
H -3.500172 -0.586265 -0.682679
H 2.778651 -2.270347 0.875309
H 3.828971 1.924347 1.391816
H 4.288705 -0.507620 1.811246
H -3.439178 0.745932 3.380474


