%chk=000048740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048740

0 1
 S    2.182200       1.204200      0.7735000    
 O   -1.071700      0.2997000      -2.254300    
 O   0.1175000      6.0000001E-03   2.278800    
 O   -4.265600     -0.3661000      0.9724000    
 N   -2.676000      6.5499999E-02 -0.6315000    
 N   -2.082100     -8.0499999E-02   1.633100    
 C  -0.4182000      0.7558000      3.5799999E-02
 C    1.013400      0.3707000     -0.3646000    
 C    1.229400      -1.169600     -0.4725000    
 C  -0.5169000       2.286800      0.1608000    
 C    1.035100      -1.907000      0.8778000    
 C   0.3758000      -1.832800      -1.584400    
 C   -1.386300      0.3342000      -1.065100    
 C  -0.7374000      0.1742000       1.409400    
 C  -0.2470000       2.956500      -1.167900    
 C    1.329500      -3.401800      0.8126000    
 C   0.5813000      -1.242000      -2.973500    
 C    3.714400      0.5695000      6.0899999E-02
 C   -3.092800     -0.1264000      0.6803000    
 C    4.915400       1.103100      0.8183000    
 H    1.264800      0.7953000      -1.336900    
 H    2.255100      -1.360600     -0.8020000    
 H   -1.543800       2.555300      0.4500000    
 H   9.1399997E-02   2.726500      0.9571000    
 H    1.693000      -1.502000       1.650900    
 H  -8.9999996E-03  -1.923300       1.183400    
 H   0.6826000      -2.883100      -1.675300    
 H  -0.6782000      -1.908400      -1.306600    
 H  -0.3206000       4.042200      -1.025600    
 H  -0.9876000       2.717900      -1.935300    
 H   0.7544000       2.781100      -1.565300    
 H   0.5788000      -3.945100      0.2309000    
 H    2.315700      -3.589900      0.3766000    
 H    1.321600      -3.827800       1.821800    
 H    1.422600      -1.775000      -3.438700    
 H  -0.2755000      -1.450800      -3.623900    
 H   0.8772000     -0.1951000      -3.044300    
 H   -3.375300     -8.4799998E-02  -1.353300    
 H   -2.343700     -0.3388000       2.580400    
 H    3.782600      0.8497000     -0.9944000    
 H    3.763800     -0.5169000      0.1514000    
 H    5.838700      0.7068000      0.3822000    
 H    4.893500      0.8051000       1.872300    
 H    4.969300       2.195900      0.7667000    


%chk=000048740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048740

0 1
S 2.299743 0.788192 0.940899
O -1.160784 0.869904 -2.228244
O -0.329783 0.382286 2.559269
O -4.408443 -0.750396 0.659398
N -2.741554 0.103409 -0.740149
N -2.320451 -0.198552 1.557331
C -0.476236 0.791779 0.139835
C 0.918718 0.154729 -0.234583
C 1.027777 -1.404616 -0.360521
C -0.381581 2.374871 0.333992
C 0.700443 -2.183953 0.945473
C 0.279676 -2.009484 -1.588169
C -1.448395 0.578430 -1.036778
C -1.001060 0.296150 1.500567
C 0.281556 3.170416 -0.803571
C 1.356787 -3.581593 1.001351
C 0.818459 -1.562948 -2.964989
C 3.672386 0.951980 -0.366290
C -3.241424 -0.313366 0.505090
C 4.981696 1.353851 0.328562
H 1.176422 0.597429 -1.213164
H 2.109547 -1.573056 -0.556550
H -1.412900 2.749730 0.499752
H 0.181566 2.527834 1.271472
H 1.055324 -1.597973 1.812405
H -0.398705 -2.295858 1.054189
H 0.374142 -3.110195 -1.513597
H -0.806970 -1.804094 -1.523834
H 0.214596 4.248588 -0.567901
H -0.203766 2.996713 -1.777898
H 1.352428 2.918200 -0.891212
H 1.026912 -4.239495 0.176272
H 2.458380 -3.494959 0.945746
H 1.108894 -4.091956 1.950017
H 1.908263 -1.745413 -3.036997
H 0.330603 -2.130489 -3.778543
H 0.627489 -0.492444 -3.152029
H -3.392408 0.025747 -1.528924
H -2.661137 -0.485706 2.481042
H 3.359454 1.711827 -1.105010
H 3.777290 -0.021208 -0.878356
H 5.792688 1.457740 -0.415836
H 5.290064 0.592991 1.067379
H 4.875693 2.319158 0.855108


