%chk=000085596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085596

0 1
 S   -4.531600     -0.5049000      0.1158000    
 O   -4.695700      -1.400600       1.252100    
 O   -5.401900      0.6544000     -2.3000000E-02
 N    1.116900       1.347900     -1.1000000E-02
 N   -4.606200      -1.421800      -1.324200    
 N    6.013000      -1.391000     -6.5600000E-02
 C  -0.2211000      0.9089000      1.8600000E-02
 C   -2.873000      3.9200000E-02  7.8100003E-02
 C    2.347900      0.6597000     -2.5400000E-02
 C   -1.222400       1.677300     -0.5772000    
 C  -0.5482000     -0.2952000      0.6441000    
 C   -2.547500       1.242800     -0.5474000    
 C   -1.873300     -0.7297000      0.6738000    
 C    3.478100       1.239900      0.5504000    
 C    2.435000     -0.6015000     -0.6148000    
 C    4.782500     -0.7021000     -5.2600000E-02
 C    4.695400      0.5591000      0.5367000    
 C    3.652300      -1.282400     -0.6284000    
 H    1.215100       2.359300     -2.6100000E-02
 H  -0.9810000       2.615900      -1.069700    
 H   0.2062000     -0.9043000       1.134500    
 H   -3.308900       1.854300      -1.023400    
 H   -2.103700      -1.671000       1.164900    
 H    3.422500       2.221700       1.013800    
 H    1.576600      -1.068300      -1.090200    
 H    5.568900       1.021800      0.9891000    
 H    3.708600      -2.262800      -1.094700    
 H   -4.669200      -2.443400      -1.236100    
 H   -5.150400      -1.037700      -2.106300    
 H    6.833200     -0.9701000      0.3504000    
 H    6.077000      -2.304800     -0.4940000    


%chk=000085596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085596

0 1
S -4.569345 -0.539936 0.219548
O -4.613244 -1.723118 1.343267
O -5.523341 0.783845 0.270663
N 1.156802 1.372433 -0.308169
N -4.956443 -1.368519 -1.392764
N 6.117477 -1.367942 0.217326
C -0.148540 0.889690 -0.188831
C -2.809671 0.027405 0.049631
C 2.380028 0.646134 -0.152445
C -1.230732 1.739687 -0.582004
C -0.445726 -0.402212 0.346552
C -2.562552 1.313888 -0.464403
C -1.777694 -0.833617 0.464275
C 3.469409 1.254415 0.522467
C 2.567473 -0.644674 -0.713375
C 4.894697 -0.705391 0.094249
C 4.710448 0.600209 0.634938
C 3.796903 -1.314625 -0.581952
H 1.249454 2.368615 -0.513858
H -1.015839 2.737675 -0.982895
H 0.364225 -1.046882 0.696355
H -3.396061 1.965788 -0.744187
H -2.017838 -1.807743 0.902458
H 3.339205 2.245897 0.972766
H 1.754513 -1.116035 -1.275241
H 5.538216 1.094119 1.157990
H 3.916719 -2.312020 -1.022162
H -5.188892 -2.354320 -1.181195
H -5.747834 -0.854631 -1.817331
H 6.897371 -0.937302 0.704586
H 6.245911 -2.300232 -0.164058


