%chk=000084708.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084708

1 1
 S   -3.680000      0.2125000     -0.3498000    
 O   -4.964500     -9.7700000E-02  0.6067000    
 O   -3.637400     -0.7788000      -1.409600    
 O   -3.648300       1.634800     -0.6400000    
 N    1.364800     -0.4084000      0.5559000    
 C   -1.041000     -0.1320000      0.1927000    
 C   4.3499999E-02 -0.4306000       1.219700    
 C   -2.420500     -0.1555000      0.8298000    
 C    2.021700      0.7482000      0.5041000    
 C    1.828100      -1.546100      4.3200001E-02
 C    3.263000      0.7986000     -0.1140000    
 C    3.064100      -1.555000     -0.5874000    
 C    3.785700     -0.3677000     -0.6644000    
 C    4.020800       2.078000     -0.1869000    
 H  -0.8590000      0.8471000     -0.2672000    
 H  -0.9916000     -0.8636000     -0.6229000    
 H  -9.3800001E-02  -1.416300       1.679800    
 H   5.1300000E-02  0.3093000       2.028700    
 H   -2.496600      0.5806000       1.636300    
 H   -2.631400      -1.150500       1.235700    
 H    1.549600       1.614700      0.9512000    
 H    1.214800      -2.434300      0.1328000    
 H    3.460000      -2.470800      -1.013100    
 H    4.755500     -0.3632000      -1.154700    
 H    4.743900       2.134400      0.6329000    
 H    4.557900       2.160900      -1.137800    
 H    3.350900       2.942000     -0.1197000    
 H   -5.121600      -1.049600      0.8108000    


%chk=000084708-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084708

1 1
S -3.689524 0.123181 -0.404161
O -4.879397 0.587251 0.925774
O -4.271371 -1.078916 -1.310973
O -3.055099 1.438344 -1.103120
N 1.452836 -0.547542 0.635827
C -1.020358 -0.451004 0.227190
C 0.094760 -0.690272 1.272862
C -2.403739 -0.540123 0.879947
C 2.000329 0.709270 0.500791
C 2.094587 -1.657241 0.142965
C 3.239250 0.911563 -0.138075
C 3.331824 -1.520100 -0.503526
C 3.906057 -0.239514 -0.645946
C 3.824686 2.296984 -0.271262
H -0.902700 0.554689 -0.221488
H -0.935021 -1.190499 -0.590565
H 0.032009 -1.701582 1.708647
H 0.029465 0.041551 2.096493
H -2.542804 0.136818 1.737302
H -2.759422 -1.556192 1.107294
H 1.422952 1.537420 0.919238
H 1.601066 -2.620922 0.284226
H 3.831868 -2.412534 -0.886413
H 4.871819 -0.126872 -1.149376
H 4.807991 2.357323 0.229083
H 3.986565 2.553286 -1.333733
H 3.173278 3.069578 0.167217
H -5.752012 0.857054 0.516582


