%chk=000000745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000745

0 1
 S   -2.129500      -1.872200      -2.043100    
 O    1.317800      -1.751100       1.370400    
 O   -1.988600       1.355200     -9.9500000E-02
 O    4.355600       1.954200      -1.291600    
 O    5.525200       1.902800      0.6502000    
 O   -5.157200     -7.1000002E-02 -0.9905000    
 O   -6.474400       1.591100     -0.1842000    
 N  -5.0000002E-04 -0.4558000     -3.6699999E-02
 N    6.170900     -0.7289000      0.1456000    
 N   -3.477300     -3.6499999E-02   1.009300    
 C    3.728900     -0.7872000      0.3143000    
 C    2.390200     -0.2826000     -0.2283000    
 C   -1.283500     -0.8993000      0.4573000    
 C    4.932600     -0.1997000     -0.4308000    
 C    1.203000     -0.9256000      0.4686000    
 C   -1.782100      -2.147500     -0.2751000    
 C   -2.266000      0.2690000      0.4051000    
 C    4.992300       1.309600     -0.2792000    
 C   -4.560000      0.9142000       1.108500    
 C   -5.497300      0.8612000     -7.0400000E-02
 H    3.755800      -1.882800      0.2443000    
 H    3.790600     -0.5423000       1.383600    
 H    2.301500      0.8005000     -8.8699996E-02
 H    2.315700     -0.4973000      -1.301000    
 H   -1.156200      -1.158000       1.516900    
 H    4.902200     -0.4584000      -1.495000    
 H   1.3400000E-02  0.2145000     -0.8005000    
 H   -1.034600      -2.945700     -0.2091000    
 H   -2.701300      -2.528600      0.1804000    
 H    6.968000     -0.4038000     -0.4008000    
 H    6.174100      -1.745700      7.2499998E-02
 H   -3.618400     -0.9551000       1.418100    
 H   -4.148200       1.925200       1.181700    
 H   -5.123500      0.6701000       2.013300    
 H  -0.8875000      -1.499900      -2.385900    
 H    4.386000       2.928400      -1.180800    
 H   -5.782000     -8.6000003E-02  -1.746700    


%chk=000000745-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000745

0 1
S -2.117125 -1.394793 -2.716710
O 1.204779 -2.265772 0.232926
O -1.843622 1.491155 -0.225844
O 4.381763 2.015770 -0.650819
O 6.397874 1.776724 0.462302
O -5.885193 -0.804499 1.144096
O -6.899517 1.289810 1.062184
N 0.052427 -0.351690 -0.386335
N 6.073668 -0.913232 0.769044
N -3.501496 0.032933 0.469863
C 3.634762 -0.615898 0.428356
C 2.509226 -0.341901 -0.593430
C -1.253658 -0.893338 -0.006439
C 5.070159 -0.249187 -0.056310
C 1.220236 -1.069875 -0.205057
C -1.729866 -2.010232 -0.971715
C -2.222848 0.311654 0.064028
C 5.373204 1.249662 -0.024062
C -4.513393 1.090002 0.512500
C -5.883094 0.584238 0.926565
H 3.636282 -1.700299 0.644627
H 3.434430 -0.106262 1.388249
H 2.341041 0.740412 -0.720517
H 2.822749 -0.735039 -1.583386
H -1.168926 -1.361476 0.998209
H 5.124679 -0.523456 -1.143851
H 0.053674 0.651830 -0.612738
H -0.952897 -2.787946 -1.020298
H -2.668526 -2.473289 -0.622639
H 6.949246 -0.407890 0.911787
H 6.139249 -1.925492 0.679918
H -3.806724 -0.918114 0.686711
H -4.609722 1.579337 -0.476509
H -4.216750 1.894776 1.212179
H -0.849555 -0.888843 -2.955825
H 4.653990 2.973559 -0.625457
H -6.794827 -1.108341 1.406597


