%chk=000037028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037028

0 1
 S   -3.605900     -0.5003000     -0.4570000    
 O   0.5983000       2.043300     -0.1903000    
 N   0.2198000      -1.446800     -4.3000001E-03
 N   -1.126500      -1.432300     -0.1431000    
 N   -1.398700      0.9184000     -0.3234000    
 C    2.278200     -0.1472000      0.1221000    
 C   0.7858000     -0.2803000     -2.2299999E-02
 C    2.558800      0.6984000       1.366000    
 C    2.837600      0.5389000      -1.126300    
 C    2.887600      -1.542600      0.2775000    
 C  -2.9800000E-02  0.9909000     -0.1878000    
 C   -1.869500     -0.2888000     -0.2933000    
 C   -4.135700      0.4483000      0.9821000    
 H    2.382300       1.768500       1.230000    
 H    3.611500      0.6055000       1.660000    
 H    1.953400      0.3684000       2.218700    
 H    3.929300      0.4386000      -1.160900    
 H    2.633800       1.611500      -1.176700    
 H    2.439000      8.4299996E-02  -2.041100    
 H    3.976600      -1.483100      0.3899000    
 H    2.500100      -2.060400       1.163200    
 H    2.687400      -2.174000     -0.5963000    
 H   -1.595500      -2.333100     -0.1316000    
 H   -3.663000      6.3199997E-02   1.889900    
 H   -5.220100      0.3631000       1.092100    
 H   -3.882800       1.505300      0.8638000    


%chk=000037028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037028

0 1
S -3.703679 -0.985237 0.428416
O 0.378057 2.105843 0.299649
N 0.310617 -1.532489 0.153920
N -1.072215 -1.654781 0.236099
N -1.470912 0.671437 0.353878
C 2.340027 -0.159027 0.084343
C 0.815271 -0.296548 0.172456
C 2.855512 0.570318 1.364044
C 2.700324 0.682374 -1.179463
C 3.019760 -1.547271 -0.017687
C -0.070918 0.926379 0.277799
C -1.916751 -0.566168 0.332419
C -4.417219 0.754282 0.546566
H 2.413456 1.575295 1.455736
H 3.954611 0.672708 1.301827
H 2.618304 -0.012078 2.273630
H 3.799511 0.782102 -1.243324
H 2.257486 1.689670 -1.125988
H 2.348822 0.182989 -2.101344
H 4.114566 -1.406559 -0.076387
H 2.793776 -2.175836 0.861263
H 2.687889 -2.097076 -0.915625
H -1.409880 -2.617999 0.218434
H -4.962080 0.840177 1.496710
H -5.079849 0.914398 -0.315014
H -3.552484 1.440797 0.518546


