%chk=000038353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038353

0 1
 S  -0.8079000       1.998000      -1.140600    
 O  -0.5879000     -0.9621000     -0.3949000    
 O    1.177800      -3.136900     -0.6217000    
 N    2.681800      3.7000000E-02  0.5492000    
 C    2.332700      -1.051400     -0.3537000    
 C    1.416000      -2.080000      0.3124000    
 C    3.598700      0.9709000     -9.0300001E-02
 C   7.2200000E-02  -1.499400      0.7472000    
 C    4.888100      0.2578000     -0.4876000    
 C    3.884000       2.131700      0.8573000    
 C   -1.823400     -0.4095000     -0.1881000    
 C   -2.077300      0.9278000     -0.4788000    
 C   -2.830100      -1.222200      0.3261000    
 C   -3.348000       1.457000     -0.2535000    
 C   -4.100800     -0.6928000      0.5515000    
 C   -4.359800      0.6468000      0.2618000    
 C  -0.1160000       2.627200      0.4036000    
 H    1.860100     -0.6618000      -1.264300    
 H    3.214000      -1.611600     -0.6843000    
 H    1.917600      -2.524300       1.179600    
 H    3.131000       1.392100     -0.9892000    
 H    3.102000     -0.3419000       1.397600    
 H   0.2051000     -0.7196000       1.505600    
 H  -0.5250000      -2.310800       1.178200    
 H    5.296200     -0.3411000      0.3346000    
 H    5.655800      0.9905000     -0.7640000    
 H    4.758600     -0.3870000      -1.362300    
 H    2.959500       2.641700       1.148100    
 H    4.382700       1.790800       1.771800    
 H    4.533300       2.872300      0.3779000    
 H   0.6933000      -2.760800      -1.376600    
 H   -2.657500      -2.273200      0.5383000    
 H   -3.571100       2.498400     -0.4726000    
 H   -4.890200      -1.324900      0.9478000    
 H   -5.349600       1.058400      0.4362000    
 H   0.7081000       3.308400      0.1768000    
 H   0.2651000       1.810400       1.021000    
 H  -0.8748000       3.177800      0.9666000    


%chk=000038353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038353

0 1
S -2.012255 0.862087 -2.550206
O -0.534643 -0.444616 -0.261392
O 0.893494 -2.284549 -1.697607
N 3.092299 -0.525270 0.817093
C 2.448826 -0.763504 -0.493296
C 1.376026 -1.875429 -0.375075
C 3.756655 0.793236 1.009029
C 0.203986 -1.460090 0.526542
C 4.936686 1.053862 0.032296
C 4.214288 0.909420 2.477085
C -1.828644 -0.087855 0.133528
C -2.623136 0.588427 -0.836456
C -2.353002 -0.358420 1.420888
C -3.937768 0.977800 -0.499201
C -3.672938 0.033884 1.737738
C -4.471253 0.698877 0.781509
C -0.584406 2.062145 -2.228032
H 1.959453 0.176615 -0.813359
H 3.147023 -1.062611 -1.306374
H 1.842337 -2.781353 0.056545
H 2.977969 1.561669 0.824270
H 3.726631 -1.295574 1.076918
H 0.588798 -1.021514 1.466114
H -0.465823 -2.317770 0.727167
H 5.754302 0.328059 0.209234
H 5.348762 2.071146 0.170407
H 4.615165 0.958408 -1.020854
H 3.359677 0.763009 3.160045
H 4.978820 0.142199 2.711072
H 4.662462 1.899657 2.674774
H 0.216632 -1.613537 -1.986148
H -1.739461 -0.867579 2.170251
H -4.539774 1.496819 -1.252302
H -4.071871 -0.180374 2.735384
H -5.493990 1.003142 1.026044
H -0.126178 2.260929 -3.209782
H 0.141866 1.587109 -1.553632
H -0.972718 2.995245 -1.793518


