%chk=000057422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057422

0 1
 S   -3.108600      -1.129800      0.4774000    
 O    2.178300      0.1854000     -8.2800001E-02
 O    4.894600      0.7134000     -0.5350000    
 O   0.8730000      -1.588600      0.5684000    
 N   0.1816000     -9.7099997E-02  -1.068500    
 C   -1.101300     -0.6921000      -1.364600    
 C   -2.201600     -9.9600002E-02 -0.5250000    
 C   -2.584800       1.205000     -0.4580000    
 C    3.182200     -0.2164000      0.8560000    
 C    1.058100     -0.5960000     -0.1280000    
 C    4.348000      0.7504000      0.7779000    
 C   -3.667800       1.377500      0.4517000    
 C   -4.051700      0.1879000       1.030600    
 H   -1.024300      -1.777500      -1.234100    
 H   -1.309500     -0.4993000      -2.423000    
 H   0.4493000      0.7434000      -1.572000    
 H   -2.127400       2.006900      -1.023100    
 H    2.761700     -0.2136000       1.867500    
 H    3.519200      -1.226400      0.5957000    
 H    5.128200      0.4771000       1.494100    
 H    4.013700       1.774300      0.9722000    
 H   -4.141300       2.325700      0.6703000    
 H   -4.841100      2.9600000E-02   1.751800    
 H    5.636500       1.341700     -0.5523000    


%chk=000057422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057422

0 1
S -2.414164 0.171527 1.414764
O 2.351096 0.146239 0.070636
O 5.129709 1.202324 -0.155192
O 1.295747 -1.936726 -0.280251
N 0.197791 0.112127 -0.646134
C -1.083471 -0.469376 -1.071640
C -2.275166 0.155050 -0.392340
C -3.393098 0.735986 -0.973293
C 3.600606 -0.576513 0.411603
C 1.270614 -0.677747 -0.293044
C 4.582412 0.436259 0.972743
C -4.377294 1.201159 -0.023070
C -4.011094 0.982007 1.294079
H -1.010071 -1.553372 -0.864433
H -1.220621 -0.357651 -2.166399
H 0.318800 1.125577 -0.632915
H -3.510488 0.828848 -2.056695
H 3.370293 -1.364343 1.151584
H 4.010008 -1.050429 -0.498231
H 5.390226 -0.116677 1.500022
H 4.059884 1.088936 1.702296
H -5.314295 1.684390 -0.309733
H -4.544688 1.236816 2.208075
H 5.642265 1.977489 0.184769


