%chk=000080773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080773

0 1
 S   0.8433000      -1.806400     -0.1130000    
 O    1.420400       1.118000     -0.5483000    
 O    1.733400      -1.603100       1.242300    
 O   0.1012000      -3.047300      4.6599999E-02
 O    1.711400      -1.600800      -1.260700    
 N   -3.950300     -6.0000001E-03  0.3636000    
 C  -0.3067000     -0.4883000     -0.1054000    
 C   0.1089000      0.8252000     -0.3235000    
 C   -1.654800     -0.7644000      0.1230000    
 C   -2.587300      0.2729000      0.1328000    
 C  -0.8236000       1.862500     -0.3136000    
 C   -2.171700       1.586400     -8.5500002E-02
 C    2.053700       2.003300      0.3731000    
 C    3.522100       1.648100      0.4684000    
 H   -1.998100      -1.780700      0.2974000    
 H  -0.5167000       2.889700     -0.4905000    
 H   -2.889000       2.403100     -8.2099997E-02
 H    1.942000       3.031400      1.1900000E-02
 H    1.599800       1.926700       1.369100    
 H    4.042700       2.318500       1.158000    
 H    3.648600      0.6173000      0.8152000    
 H    3.999100       1.713000     -0.5151000    
 H   -4.626700      0.7458000      0.3702000    
 H   -4.253000     -0.9580000      0.5215000    
 H    1.229800      -1.642300       2.089100    


%chk=000080773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080773

0 1
S 0.659355 -2.086489 -0.020090
O 1.485835 0.745156 0.488546
O 1.682527 -1.858832 1.492224
O -0.224096 -3.411838 0.226195
O 1.599430 -1.964695 -1.328696
N -4.115515 0.112752 -0.093881
C -0.479670 -0.587372 0.114835
C 0.092550 0.689867 0.291647
C -1.852605 -0.816618 -0.005894
C -2.739980 0.298775 0.024689
C -0.789056 1.794542 0.313449
C -2.178040 1.600385 0.171821
C 2.170601 2.048303 0.312217
C 3.670273 1.770695 0.354130
H -2.221311 -1.843036 -0.113259
H -0.401303 2.808612 0.447995
H -2.841214 2.473007 0.188985
H 1.861079 2.477314 -0.660737
H 1.860595 2.731188 1.128402
H 4.229164 2.713079 0.212037
H 3.966923 1.339264 1.325912
H 3.957375 1.068205 -0.445929
H -4.752979 0.902789 -0.068938
H -4.509224 -0.817986 -0.194901
H 2.047786 -0.922469 1.383742


