%chk=000114276.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114276

1 1
 S   0.1946000       2.395300      0.2126000    
 O   -3.931800     -0.7987000      7.3600002E-02
 O    4.142300      -2.139500      0.4004000    
 N    1.454900      0.2854000     -0.2881000    
 C   0.1378000     -0.1097000     -0.2226000    
 C    2.541000     -0.6291000     -0.5593000    
 C    1.661100       1.568100     -8.3499998E-02
 C  -0.7264000      0.9431000      5.1300000E-02
 C  -0.3481000      -1.412600     -0.4021000    
 C   -2.109000      0.7375000      0.1568000    
 C    3.102500      -1.225300      0.7211000    
 C    2.965700       2.249600     -9.6000001E-02
 C   -2.591900     -0.5637000     -2.2800000E-02
 C   -1.726700      -1.622300     -0.2978000    
 C   -4.766100      0.3220000      0.3564000    
 H    3.338800     -0.1235000      -1.117300    
 H    2.218700      -1.423000      -1.242800    
 H   0.2987000      -2.258800     -0.6086000    
 H   -2.734500       1.595000      0.3719000    
 H    2.329700      -1.771300       1.270700    
 H    3.504500     -0.4579000       1.389000    
 H    3.666500       1.778000      0.5988000    
 H    3.403200       2.227100      -1.099300    
 H    2.882700       3.301500      0.1979000    
 H   -2.121900      -2.626500     -0.4320000    
 H    4.836900      -1.641600     -6.3699998E-02
 H   -5.796800     -4.5499999E-02  0.3976000    
 H   -4.726700       1.067300     -0.4452000    
 H   -4.543500      0.7536000       1.338200    


%chk=000114276-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114276

1 1
S 0.203356 2.590651 0.201401
O -3.901885 -0.859133 0.102863
O 3.835609 -2.508134 0.280125
N 1.537852 0.403184 -0.324277
C 0.188737 -0.038167 -0.229803
C 2.646739 -0.561885 -0.577193
C 1.729474 1.729304 -0.125032
C -0.708866 1.024754 0.050888
C -0.303988 -1.357699 -0.395931
C -2.093549 0.834617 0.179137
C 3.056374 -1.353089 0.700066
C 3.042180 2.439642 -0.188014
C -2.577339 -0.490715 0.012421
C -1.679036 -1.569598 -0.273089
C -4.917559 0.173779 0.388209
H 3.506160 -0.018418 -0.999576
H 2.305578 -1.285829 -1.335482
H 0.359853 -2.198700 -0.614760
H -2.765375 1.668430 0.393916
H 2.157741 -1.751824 1.200866
H 3.596411 -0.702937 1.416634
H 3.789735 1.977675 0.482143
H 3.454387 2.432306 -1.215380
H 2.930812 3.492341 0.114135
H -2.106695 -2.568508 -0.392812
H 4.807492 -2.336277 0.337166
H -5.871347 -0.369476 0.403692
H -4.932379 0.937773 -0.410607
H -4.734270 0.640431 1.373496


