%chk=000083939.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083939

0 1
 S    3.474300      0.2314000     -0.3635000    
 O    2.445800     -6.3600004E-02  0.8853000    
 O    4.951600      0.1926000      0.3300000    
 O   -3.811000       1.549200      4.4000000E-03
 O    3.396200     -0.8668000      -1.309000    
 O    3.242500       1.591900     -0.8130000    
 N   -2.967200     -0.6454000     -0.1711000    
 C   -1.605800     -0.4989000      9.5299996E-02
 C    1.117500     -0.2063000      0.6260000    
 C   -1.081900      0.7624000      0.3792000    
 C  -0.7678000      -1.614000      7.7000000E-02
 C   0.2796000      0.9088000      0.6444000    
 C   0.5937000      -1.467600      0.3424000    
 C   -3.955300      0.3481000     -0.1990000    
 C   -5.312200     -0.2218000     -0.5285000    
 H   -1.667000       1.670900      0.4125000    
 H   -1.162200      -2.603000     -0.1424000    
 H   0.6816000       1.893600      0.8667000    
 H    1.240200      -2.340800      0.3285000    
 H   -3.271200      -1.596600     -0.3688000    
 H   -5.291400     -0.6721000      -1.524800    
 H   -6.062100      0.5739000     -0.5131000    
 H   -5.585600     -0.9804000      0.2102000    
 H    5.036200      0.7027000       1.169500    


%chk=000083939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083939

0 1
S 3.814741 0.341623 -0.722903
O 2.473702 -0.435095 0.879659
O 4.902156 0.883224 0.664261
O -3.751691 1.604151 0.039040
O 4.760378 -0.532454 -1.702136
O 3.027043 1.619197 -1.347105
N -3.032486 -0.631460 -0.080394
C -1.649479 -0.516597 0.148941
C 1.158497 -0.452377 0.607975
C -0.993960 0.738203 0.359486
C -0.888441 -1.733276 0.156688
C 0.386506 0.763369 0.577173
C 0.488684 -1.704198 0.364076
C -4.015831 0.385961 -0.137677
C -5.413796 -0.137515 -0.445788
H -1.582198 1.656496 0.341659
H -1.397102 -2.691814 -0.007145
H 0.910117 1.713246 0.722360
H 1.087253 -2.620483 0.366256
H -3.376441 -1.584177 -0.233977
H -5.470377 -0.518145 -1.482773
H -6.129996 0.689255 -0.339518
H -5.707685 -0.955574 0.237304
H 4.318904 0.766641 1.472737


