%chk=000133841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133841

0 1
 S    5.270400      -2.332700      0.8031000    
 O   -1.357400      -1.715500     -0.8338000    
 O   -5.187100     -0.5558000       2.074700    
 O    3.601400      0.4463000       1.478200    
 O   -5.790000       1.475700       1.255100    
 O    1.362400      -1.012500     -0.9433000    
 N  -0.4432000      0.4176000     -0.5750000    
 N   -5.760800      0.5624000      -1.316100    
 N    3.153900      0.9822000     -0.7355000    
 N    6.095100       1.563700     -7.1599998E-02
 C   -3.949800     -0.9280000     -0.5219000    
 C   -5.364500     -0.3853000     -0.2757000    
 C   -2.843900      0.1291000     -0.4471000    
 C   -1.482300     -0.5092000     -0.6358000    
 C    5.403200      0.2741000     -0.1344000    
 C    1.778100       1.335900     -0.5482000    
 C    3.970800      0.5581000      0.3106000    
 C   -5.485700      0.3063000       1.067600    
 C    6.119900     -0.7217000      0.7812000    
 C   0.9096000      0.1095000     -0.7321000    
 H   -3.918900      -1.420400      -1.503400    
 H   -3.741700      -1.716200      0.2140000    
 H   -6.080600      -1.215700     -0.2865000    
 H   -2.847900      0.6308000      0.5268000    
 H   -2.979900      0.8874000      -1.226000    
 H    5.410400     -9.2200004E-02  -1.167900    
 H    1.625000       1.747200      0.4544000    
 H    1.514800       2.087200      -1.298800    
 H  -0.6893000       1.389200     -0.4005000    
 H    3.538800       1.042600      -1.673700    
 H   -6.739700      0.8185000      -1.191700    
 H   -5.698300      0.1137000      -2.229200    
 H    7.149000     -0.8852000      0.4433000    
 H    6.162500     -0.3564000       1.813700    
 H    7.068100       1.443000     -0.3507000    
 H    5.684500       2.204700     -0.7500000    
 H   -5.249900     -0.1258000       2.954200    
 H    6.115800      -2.938000       1.650100    


%chk=000133841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133841

0 1
S 7.274200 0.610340 2.344959
O -1.616070 -0.489563 -2.430723
O -5.652478 -1.572325 1.149473
O 4.127964 0.603477 1.934196
O -6.115854 0.635391 1.694428
O 1.259436 -0.449146 -1.936052
N -0.497391 -0.072491 -0.395929
N -5.511878 1.508918 -0.842247
N 3.188504 -0.099147 -0.067103
N 5.472534 -0.103645 -1.410330
C -4.182967 -0.590144 -1.127307
C -5.512957 0.058240 -0.639495
C -2.958959 0.032146 -0.434876
C -1.664114 -0.217687 -1.209810
C 5.635363 -0.079558 0.062224
C 1.821142 0.056309 0.396898
C 4.259151 0.181488 0.734223
C -5.784410 -0.215842 0.839422
C 6.711836 0.919954 0.561440
C 0.855750 -0.183079 -0.779919
H -4.092368 -0.420741 -2.215767
H -4.223256 -1.681102 -0.965624
H -6.336596 -0.466674 -1.182078
H -2.864568 -0.328963 0.608774
H -3.137792 1.129702 -0.390008
H 5.950369 -1.093878 0.378425
H 1.599025 -0.654815 1.220362
H 1.670997 1.070908 0.820557
H -0.671194 0.152731 0.588688
H 3.382490 -0.387337 -1.040252
H -5.999459 2.047048 -0.121042
H -5.679303 1.818154 -1.800187
H 7.625181 0.804074 -0.045252
H 6.353579 1.961194 0.479500
H 6.139416 -0.707393 -1.898762
H 5.410778 0.825841 -1.841626
H -5.887359 -1.716116 2.106044
H 5.974057 0.728332 2.832872


