%chk=000113181.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113181

0 1
 S   -3.870700      0.5863000      0.7800000    
 O   9.4800003E-02 -0.6129000      -2.045000    
 O    1.647800       2.459700       1.055600    
 N   0.5680000       1.201000     -0.6192000    
 N   -5.593000      -1.376700       1.132800    
 N   -3.803800      -1.830400     -0.3408000    
 C  -0.4654000       2.132300      -1.026200    
 C   -1.725700       2.031200     -0.1696000    
 C    1.879600     -0.6406000     -0.4851000    
 C    2.343600      0.2800000      0.4428000    
 C   0.7301000     -5.2200001E-02  -1.171500    
 C    1.497500       1.470300      0.3631000    
 C   -2.378400      0.6521000     -0.2546000    
 C    2.474500      -1.874500     -0.6499000    
 C    3.427200      1.5300000E-02   1.254900    
 C    3.574700      -2.164600      0.1619000    
 C    4.046300      -1.228900       1.105300    
 C   -4.446900      -1.047500      0.4653000    
 H  -0.7147000       1.944900      -2.076800    
 H  -6.1900001E-02   3.148100     -0.9467000    
 H   -1.468500       2.256200      0.8735000    
 H   -2.432900       2.800900     -0.5031000    
 H   -1.695300     -0.1213000      0.1069000    
 H   -2.646200      0.4314000      -1.293100    
 H    2.111800      -2.594100      -1.374400    
 H    3.789700      0.7341000       1.980300    
 H    4.075200      -3.124800      6.6799998E-02
 H    4.903800      -1.481000       1.724000    
 H   -6.021000      -2.290400       1.030200    
 H   -6.050300     -0.7153000       1.750900    
 H   -4.295400      -2.729400     -0.3911000    


%chk=000113181-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113181

0 1
S -4.159155 0.158273 -0.546940
O 0.667275 0.249757 -2.746007
O 0.491212 1.859095 1.676352
N 0.368787 1.312567 -0.636357
N -4.334049 -1.385612 1.645407
N -2.073601 -1.002713 0.822424
C -0.568925 2.369924 -1.046082
C -2.024407 2.051269 -0.616726
C 1.717841 -0.585936 -0.645574
C 1.658512 -0.107413 0.685117
C 0.886339 0.313412 -1.509729
C 0.791631 1.115136 0.709791
C -2.588555 0.825960 -1.354124
C 2.463222 -1.724969 -0.982079
C 2.346992 -0.749723 1.724219
C 3.160720 -2.385861 0.062978
C 3.103996 -1.905133 1.395824
C -3.369456 -0.860571 0.790622
H -0.483603 2.467767 -2.143321
H -0.245920 3.315516 -0.575339
H -2.032474 1.865961 0.471078
H -2.652156 2.942310 -0.806842
H -1.880409 -0.016480 -1.323654
H -2.868528 1.041555 -2.398728
H 2.500031 -2.085408 -2.014822
H 2.298700 -0.366990 2.748600
H 3.753255 -3.279491 -0.161051
H 3.654846 -2.433933 2.181309
H -4.061928 -1.992297 2.416187
H -5.321272 -1.165145 1.525397
H -1.704420 -1.581627 1.599270


