%chk=000092613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092613

0 1
 S    3.170900      0.7784000     -0.6870000    
 O    2.659800      -2.479200      0.9394000    
 O   0.9565000       3.186000       1.006500    
 O   -4.810400     -0.3848000      4.3600000E-02
 N   -1.138100     -0.5170000     -0.2427000    
 N    1.195000      -1.068400     -0.2322000    
 N   0.5083000       1.225300     -0.2033000    
 C  -0.1348000      -1.450000      0.2485000    
 C  -0.8093000      0.8023000      0.2765000    
 C   -2.474100     -0.9225000      0.1921000    
 C    1.576400      0.2972000     -0.3579000    
 C    2.136800      -2.188600     -0.3423000    
 C   0.6766000       2.681000     -0.2848000    
 C   -3.513600      4.0199999E-02 -0.3564000    
 H  -0.3624000      -2.453100     -0.1305000    
 H  -9.5600002E-02  -1.496000       1.344600    
 H  -0.7968000      0.8398000       1.373500    
 H   -1.509600       1.554900     -8.8500001E-02
 H   -2.551200     -0.9747000       1.286600    
 H   -2.704600      -1.929900     -0.1778000    
 H    2.961100      -1.953700      -1.019100    
 H    1.620300      -3.069500     -0.7373000    
 H  -0.2374000       3.143300     -0.6715000    
 H    1.494000       2.951500     -0.9567000    
 H   -3.492000      6.8700001E-02  -1.450700    
 H   -3.416500       1.060800      1.8600000E-02
 H    3.265800      -3.232800      0.8377000    
 H    1.048900       4.150300      0.9235000    
 H   -4.831800     -0.3885000       1.015800    


%chk=000092613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092613

0 1
S 3.074555 0.731638 -0.724435
O 3.056595 -2.159374 0.718967
O 1.661138 3.091595 0.968249
O -5.041862 -0.670205 -0.295818
N -1.263402 -0.459178 -0.013438
N 1.067365 -1.054904 -0.203575
N 0.459398 1.228493 -0.086852
C -0.251227 -1.467947 0.329879
C -0.860875 0.868194 0.473646
C -2.648668 -0.839110 0.343427
C 1.425703 0.271500 -0.323384
C 2.103865 -2.105132 -0.369443
C 0.830447 2.664173 -0.138109
C -3.681696 -0.230564 -0.631186
H -0.535177 -2.424727 -0.141735
H -0.158124 -1.637639 1.433841
H -0.811945 0.913814 1.593293
H -1.597555 1.615850 0.134427
H -2.906009 -0.552415 1.394837
H -2.741812 -1.938519 0.285026
H 2.605845 -1.921268 -1.337151
H 1.592869 -3.079966 -0.369203
H -0.097671 3.250714 -0.059320
H 1.329305 2.840523 -1.108776
H -3.497979 -0.607643 -1.648296
H -3.612578 0.877662 -0.651966
H 3.641800 -1.355151 0.618063
H 2.564573 2.694148 0.807296
H -5.314679 -0.273560 0.569935


