%chk=000082054.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082054

0 1
 S   -5.047500     -0.9793000      0.1190000    
 S    5.045500     -0.9798000     -0.1189000    
 O  -8.9999998E-04   2.069600       0.000000    
 O   -5.157500      -1.634300       1.414800    
 O   -6.121000     -0.1130000     -0.3473000    
 O    5.155400      -1.634800      -1.414800    
 O    6.119100     -0.1135000      0.3474000    
 N   -4.741700      -2.164000      -1.073600    
 N    4.739600      -2.164500       1.073600    
 C   -3.552400     -7.7699997E-02  8.2900003E-02
 C    3.550400     -7.8000002E-02 -8.2800001E-02
 C   -1.165400       1.365500      2.6900001E-02
 C    1.183800       1.353200     -2.7400000E-02
 C   -2.493800     -0.4480000      0.9124000    
 C    2.491900     -0.4483000     -0.9124000    
 C   -3.417500       1.014300     -0.7745000    
 C    3.415600       1.014000      0.7746000    
 C   -1.300600      0.2737000      0.8845000    
 C    1.298600      0.2736000     -0.8845000    
 C   -2.224000       1.735800     -0.8025000    
 C    2.222200       1.735600      0.8026000    
 H   -2.576600      -1.295500       1.586900    
 H    2.574500      -1.295800      -1.587000    
 H   -4.226400       1.316600      -1.433700    
 H    4.224500       1.316400       1.433600    
 H  -0.5010000     -2.4000000E-02   1.557900    
 H   0.4975000     -2.0800000E-02  -1.556200    
 H   -2.123900       2.584400      -1.473700    
 H    2.117800       2.584300       1.471700    
 H   -5.252300      -2.089300      -1.962000    
 H   -4.595100      -3.130800     -0.7587000    
 H    5.250100      -2.089800       1.962000    
 H    4.592700      -3.131300      0.7587000    


%chk=000082054-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082054

0 1
S -5.478049 -0.809137 0.079827
S 5.477183 -0.810367 -0.077587
O -0.000235 1.754624 -0.002537
O -5.563157 -1.773465 1.389474
O -6.539849 0.384651 -0.238352
O 5.563663 -1.774307 -1.387390
O 6.538795 0.383107 0.242227
N -5.484307 -1.943088 -1.373035
N 5.481427 -1.944560 1.375004
C -3.759441 -0.056308 0.034461
C 3.758548 -0.057151 -0.034191
C -1.235200 1.067525 -0.006047
C 1.234564 1.067255 0.003163
C -2.722552 -0.727986 0.701792
C 2.722410 -0.728534 -0.703000
C -3.588491 1.167837 -0.632897
C 3.587054 1.166908 0.633126
C -1.435040 -0.153648 0.683525
C 1.435040 -0.153857 -0.686354
C -2.299772 1.737334 -0.651016
C 2.298406 1.736707 0.649648
H -2.922861 -1.655551 1.247056
H 2.923259 -1.656038 -1.248167
H -4.441231 1.667228 -1.103132
H 4.439294 1.666019 1.104564
H -0.609586 -0.637696 1.213126
H 0.610126 -0.637526 -1.217155
H -2.104979 2.690269 -1.150049
H 2.103203 2.689624 1.148557
H -6.160218 -1.577805 -2.064891
H -5.726158 -2.888073 -1.029761
H 6.156830 -1.579810 2.067623
H 5.722921 -2.889681 1.031885


