%chk=000087311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087311

0 1
 S   0.1525000      0.3235000      -1.596600    
 O    1.056300      -2.270600     -0.1950000    
 O    2.298900       2.190900     -0.4060000    
 N    1.409600      2.4000000E-02 -0.5283000    
 C   -1.229900     -0.1809000     -0.5178000    
 C   -1.250200      0.6809000      0.7480000    
 C   -2.554000     -8.5800000E-02  -1.281800    
 C   -2.435500      0.3183000       1.642600    
 C   -3.736200     -0.4466000     -0.3824000    
 C   -3.758400      0.4011000      0.8865000    
 C    2.855900      -1.101800      0.8981000    
 C    3.254600      0.3653000      0.8404000    
 C    1.658700      -1.223300     -2.0000001E-03
 C    2.277800       1.005000     -0.1057000    
 H   -1.100600      -1.229500     -0.2330000    
 H   -1.319100       1.745200      0.4863000    
 H  -0.3375000      0.5526000       1.339900    
 H   -2.546900     -0.7605000      -2.146700    
 H   -2.702300      0.9318000      -1.666700    
 H   -2.463500      0.9908000       2.507400    
 H   -2.300600     -0.6982000       2.032500    
 H   -3.677800      -1.508000     -0.1114000    
 H   -4.673300     -0.3091000     -0.9336000    
 H   -4.576100      7.0200004E-02   1.536600    
 H   -3.962500       1.446200      0.6229000    
 H    2.585800      -1.401500       1.915000    
 H    3.659400      -1.747300      0.5313000    
 H    4.272900      0.4870000      0.4597000    
 H    3.176600      0.8375000       1.824200    


%chk=000087311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087311

0 1
S 0.116083 0.168188 -1.595428
O 1.443645 -2.459239 -0.436279
O 2.030648 2.202956 -0.067405
N 1.506405 -0.083536 -0.485819
C -1.338696 -0.230654 -0.403875
C -1.380947 0.736831 0.790569
C -2.619037 -0.148660 -1.263761
C -2.628451 0.451959 1.667993
C -3.867026 -0.425892 -0.383227
C -3.928029 0.529682 0.831522
C 3.215730 -1.176655 0.769985
C 3.410039 0.353418 0.884342
C 1.975135 -1.376543 -0.109907
C 2.266067 0.986351 0.079220
H -1.169705 -1.271629 -0.073662
H -1.414553 1.777079 0.412315
H -0.459293 0.642819 1.395383
H -2.570522 -0.873323 -2.098418
H -2.702553 0.866309 -1.703855
H -2.663118 1.174339 2.505692
H -2.542247 -0.558822 2.117765
H -3.834190 -1.475279 -0.025510
H -4.779632 -0.326153 -1.001279
H -4.804454 0.285654 1.462117
H -4.068842 1.569755 0.471914
H 3.045267 -1.668880 1.742693
H 4.069165 -1.689790 0.294400
H 4.369136 0.702551 0.464770
H 3.358574 0.724364 1.922144


