%chk=000086452.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086452

0 1
 S   -1.176200       1.986900     -0.3231000    
 O   -1.333900      -1.400000     -4.8500001E-02
 O   -1.253500       3.074700      0.6413000    
 O   -1.471300       2.242500      -1.726400    
 O   -3.102400     -0.8322000      -1.422100    
 O    4.712400      -1.060800     -0.8958000    
 O    4.877200     -0.3396000       1.171100    
 N    4.241400     -0.4516000      9.4999999E-02
 C   -2.282200      0.7013000      0.2130000    
 C   -2.493300      0.6977000       1.710200    
 C   -3.562300       1.242300      0.8088000    
 C   -2.310900     -0.5767000     -0.5246000    
 C   0.4119000       1.271300     -0.2004000    
 C   0.9557000      0.5890000      -1.288800    
 C    1.137100       1.382700      0.9859000    
 C   -1.615400      -2.800600     -0.1318000    
 C    2.224500      1.7899999E-02  -1.190800    
 C    2.406000      0.8116000       1.083800    
 C  -0.4260000      -3.583000      0.4039000    
 C   -2.888400      -3.102700      0.6439000    
 C    2.949700      0.1292000     -4.6000001E-03
 H   -1.963100       1.393400       2.347700    
 H   -2.696200     -0.2471000       2.202900    
 H   -4.468500      0.6558000      0.7012000    
 H   -3.745300       2.309600      0.8219000    
 H   0.4056000      0.4851000      -2.219800    
 H   0.7310000       1.904000       1.848200    
 H   -1.750300      -3.070100      -1.186800    
 H    2.615400     -0.5078000      -2.058200    
 H    2.941400      0.9169000       2.024000    
 H  -0.5940000      -4.662000      0.3372000    
 H   0.4789000      -3.333200     -0.1604000    
 H  -0.2257000      -3.321400       1.448900    
 H   -3.077300      -4.180900      0.6748000    
 H   -3.772100      -2.631800      0.2036000    
 H   -2.814100      -2.738200       1.674500    


%chk=000086452-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086452

0 1
S -1.127868 1.545820 -0.656706
O -1.818102 -1.353597 -0.269896
O -1.125313 3.141960 -0.269683
O -1.334726 1.056007 -2.195291
O -3.803242 -1.173535 0.950730
O 4.854391 -1.515260 0.578083
O 4.955739 0.157134 2.125937
N 4.364562 -0.482140 1.174895
C -2.516082 0.810777 0.483933
C -2.722308 1.567570 1.809683
C -3.697085 1.779523 0.660461
C -2.790454 -0.657225 0.417725
C 0.545750 0.877341 -0.048299
C 1.094690 -0.230050 -0.713696
C 1.201888 1.586438 0.971170
C -2.047804 -2.845648 -0.461444
C 2.367811 -0.680210 -0.309574
C 2.472174 1.131003 1.382767
C -1.310377 -3.206225 -1.751372
C -1.549931 -3.581576 0.787917
C 3.024226 0.001860 0.739214
H -2.033482 2.392993 2.013503
H -3.019830 0.951638 2.662526
H -4.680505 1.304929 0.696878
H -3.623094 2.734835 0.132020
H 0.541983 -0.702038 -1.530216
H 0.747801 2.484436 1.401113
H -3.139986 -2.976100 -0.573580
H 2.856689 -1.533584 -0.786127
H 3.036568 1.632122 2.173073
H -1.528189 -4.255323 -2.020529
H -1.633493 -2.556688 -2.582179
H -0.217536 -3.106887 -1.625142
H -1.678060 -4.670941 0.652113
H -2.123061 -3.277828 1.679629
H -0.477943 -3.379332 0.960065


