%chk=000095535.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095535

0 1
 S  -0.4955000       1.551400      -1.347700    
 O   0.8099000      -2.055100     -0.6831000    
 N  -0.9364000      -1.003800      0.3119000    
 C   -1.977300      3.1300001E-02  0.4202000    
 C   0.7591000      0.3035000     -0.9821000    
 C   -1.428800       1.446600      0.1985000    
 C    1.797800      0.8311000      3.0000000E-03
 C   0.1886000      -1.006200     -0.4760000    
 C   -3.098600     -0.2966000     -0.5856000    
 C   -2.571100     -3.6100000E-02   1.839400    
 C    2.965200     -0.1396000      0.1499000    
 C    3.987200      0.3736000       1.151700    
 H    1.247100      8.9800000E-02  -1.940800    
 H   -2.245600       2.176000      0.1557000    
 H  -0.7766000       1.756400       1.021700    
 H   -1.195000      -1.913000      0.6842000    
 H    1.354000      0.9902000      0.9934000    
 H    2.186400       1.799400     -0.3381000    
 H   -3.897600      0.4522000     -0.5485000    
 H   -2.728300     -0.3476000      -1.615000    
 H   -3.546500      -1.273400     -0.3663000    
 H   -1.801000      0.1492000       2.597300    
 H   -3.365400      0.7064000       1.975000    
 H   -2.996000      -1.025100       2.047200    
 H    3.452500     -0.2956000     -0.8194000    
 H    2.634000      -1.115300      0.5152000    
 H    4.396800       1.338100      0.8350000    
 H    3.538800      0.4990000       2.142500    
 H    4.817900     -0.3335000       1.242400    


%chk=000095535-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095535

0 1
S -0.505074 1.558476 -1.409164
O 0.767523 -2.173093 -0.618281
N -1.037496 -1.035575 0.252087
C -2.078729 0.026810 0.412867
C 0.790009 0.228138 -0.968556
C -1.451125 1.421800 0.212427
C 1.864644 0.783118 0.005806
C 0.153664 -1.068730 -0.457474
C -3.221086 -0.223674 -0.607613
C -2.626693 -0.071221 1.861556
C 3.087620 -0.146604 0.199589
C 4.125270 0.471660 1.161400
H 1.265939 -0.020296 -1.932897
H -2.243463 2.186326 0.165877
H -0.765301 1.671001 1.039682
H -1.329197 -1.972058 0.556974
H 1.403882 0.993089 0.991778
H 2.206016 1.755533 -0.398859
H -4.047827 0.493768 -0.451276
H -2.843014 -0.109307 -1.637917
H -3.627042 -1.245163 -0.491919
H -1.817051 0.068756 2.599442
H -3.401163 0.697097 2.034680
H -3.090462 -1.060070 2.038477
H 3.556936 -0.337606 -0.785829
H 2.757901 -1.132066 0.574402
H 4.491228 1.446799 0.787259
H 3.689645 0.639307 2.164936
H 5.000046 -0.192917 1.282145


