%chk=000095811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095811

0 1
 S   0.2967000      0.6867000       1.072600    
 O   -2.009400     -0.4650000      -1.583600    
 N   -2.062300      -1.215500      0.6002000    
 C   -1.244100       1.058400      0.1460000    
 C   -2.233900       1.704400       1.125100    
 C  -0.9392000       2.038000     -0.9922000    
 C   -1.807500     -0.2715000     -0.3841000    
 C    1.220500     -6.2799998E-02 -0.2842000    
 C    2.575100     -0.4833000      0.1897000    
 C   -2.593500      -2.526100      0.3051000    
 C    3.721700     -1.7800000E-02 -0.3275000    
 C    5.075800     -0.4455000      0.1330000    
 H   -2.432700       1.082000       2.005000    
 H   -1.873600       2.677700       1.479300    
 H   -3.201100       1.872200      0.6359000    
 H   -1.875600       2.410300      -1.427200    
 H  -0.3791000       2.913600     -0.6444000    
 H  -0.3953000       1.582600      -1.825200    
 H   0.7069000     -0.9536000     -0.6570000    
 H    1.332600      0.6438000      -1.109600    
 H   -1.808400      -1.013200       1.562200    
 H    2.616400      -1.229200      0.9807000    
 H   -1.761600      -3.183600      4.0700000E-02
 H   -3.297100      -2.472000     -0.5296000    
 H   -3.097100      -2.906000       1.196700    
 H    3.692100      0.7172000      -1.127600    
 H    5.636500      0.4210000      0.4963000    
 H    5.026300      -1.182800      0.9405000    
 H    5.629700     -0.8889000     -0.7002000    


%chk=000095811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095811

0 1
S 0.340740 0.980213 0.908354
O -2.988511 -0.280500 -1.103601
N -1.630104 -1.287045 0.502582
C -1.406605 1.167778 0.097181
C -2.273008 1.858105 1.183395
C -1.318311 2.039059 -1.170149
C -2.060179 -0.206364 -0.237416
C 1.348721 0.234426 -0.550490
C 2.540998 -0.499818 -0.007583
C -2.229321 -2.618266 0.372166
C 3.826086 -0.078346 -0.155422
C 5.043218 -0.798138 0.375608
H -2.315293 1.262377 2.112558
H -1.866363 2.856329 1.422503
H -3.302294 1.977909 0.799615
H -2.324275 2.136538 -1.613882
H -0.928140 3.039474 -0.915222
H -0.665498 1.587347 -1.936704
H 0.654700 -0.443029 -1.079129
H 1.643820 1.060904 -1.215904
H -0.855180 -1.115665 1.155551
H 2.336317 -1.426739 0.547799
H -1.474413 -3.371533 0.079988
H -3.001596 -2.561051 -0.412367
H -2.703814 -2.938887 1.318449
H 4.011157 0.859531 -0.702493
H 5.609769 -0.153349 1.075623
H 4.767088 -1.724552 0.908913
H 5.739092 -1.065607 -0.443323


