%chk=000039716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039716

0 1
 S    2.611000       1.613900      -1.043100    
 O  -0.2453000       1.209600     -0.6543000    
 O  -0.2822000       1.971200       1.531500    
 N    1.725700       2.032400      0.3648000    
 C   -3.804700      -1.942600      0.4749000    
 C   -3.355600     -0.6028000     -1.3000000E-03
 C   -3.346400      -2.239800       1.915300    
 C   -3.356600      -3.081300     -0.4610000    
 C   -1.993800     -0.3200000     -0.1067000    
 C   -4.297800      0.3681000     -0.3412000    
 C   -1.574100      0.9334000     -0.5519000    
 C   -3.878100       1.621600     -0.7864000    
 C   -2.516200       1.904100     -0.8919000    
 C   0.3592000       1.759600      0.5022000    
 C    3.153900     -2.8200001E-02 -0.5886000    
 C    2.496700       2.599900       1.462100    
 C    2.363500      -1.130100     -0.9031000    
 C    4.364600     -0.1966000      7.7299997E-02
 C    2.787400      -2.410900     -0.5487000    
 C    4.788600      -1.477300      0.4315000    
 C    3.999900      -2.584500      0.1186000    
 H   -4.903100      -1.964800      0.4875000    
 H   -2.256300      -2.316000       1.990900    
 H   -3.771700      -3.186400       2.265700    
 H   -3.675600      -1.449500       2.599100    
 H   -3.693400      -2.896500      -1.487200    
 H   -3.781900      -4.036400     -0.1343000    
 H   -2.266900      -3.190900     -0.4802000    
 H   -1.247200      -1.066000      0.1537000    
 H   -5.362600      0.1649000     -0.2650000    
 H   -4.611500       2.377600      -1.051100    
 H   -2.195800       2.882500      -1.239800    
 H    3.049900       1.800500       1.963500    
 H    1.832600       3.068300       2.194200    
 H    3.190100       3.358200       1.085400    
 H    1.417400      -1.016000      -1.425500    
 H    4.993000      0.6543000      0.3282000    
 H    2.173600      -3.273000     -0.7927000    
 H    5.732800      -1.612800      0.9508000    
 H    4.330000      -3.581700      0.3943000    


%chk=000039716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039716

0 1
S 2.488352 1.955208 0.058201
O -0.100331 0.658331 0.058994
O -0.197487 0.062318 2.353256
N 1.675029 1.121125 1.440215
C -4.660896 -1.453260 0.831143
C -3.627900 -0.738210 -0.045698
C -5.096181 -0.568640 2.030246
C -4.140712 -2.830117 1.323340
C -2.356738 -0.397178 0.489886
C -3.926014 -0.406406 -1.389415
C -1.421873 0.269466 -0.329056
C -2.973771 0.260641 -2.196031
C -1.713202 0.604987 -1.671195
C 0.399870 0.571843 1.369584
C 3.507504 0.572622 -0.640942
C 2.431773 1.040142 2.705493
C 2.889574 -0.596124 -1.145473
C 4.910772 0.737181 -0.704696
C 3.692515 -1.613649 -1.707484
C 5.703991 -0.276947 -1.292059
C 5.097324 -1.453984 -1.787400
H -5.557622 -1.636092 0.205033
H -4.240880 -0.358991 2.698706
H -5.875332 -1.079739 2.626088
H -5.501239 0.400022 1.685952
H -3.860235 -3.478991 0.474029
H -4.917651 -3.348344 1.915707
H -3.249554 -2.709784 1.966717
H -2.098548 -0.638558 1.522103
H -4.906073 -0.669177 -1.805031
H -3.214196 0.515476 -3.234012
H -0.958404 1.126395 -2.266957
H 3.366564 0.470865 2.553631
H 1.805607 0.525996 3.450906
H 2.678829 2.052453 3.069360
H 1.800758 -0.699761 -1.103489
H 5.375122 1.641400 -0.296753
H 3.219693 -2.522854 -2.094588
H 6.790796 -0.151135 -1.347995
H 5.713864 -2.242527 -2.232815


