%chk=000127532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127532

0 1
 S   -3.012800      4.4799998E-02 -0.8861000    
 O   0.5835000     -4.4000000E-02  0.8093000    
 O    2.169300       2.290300      0.3866000    
 O    2.223600      -2.317200      0.2728000    
 O  -8.2500003E-02  7.6499999E-02  -1.393800    
 O   -4.444400     -7.9300001E-02   1.331100    
 N    1.885500     -1.7500000E-02  0.3480000    
 C    3.912400      0.7895000     -0.3667000    
 C    3.930400     -0.7402000     -0.4046000    
 C    2.555200       1.151500      0.1730000    
 C    2.582500      -1.160500      0.1159000    
 C  -0.3545000      9.8000001E-03 -0.2030000    
 C   -1.738700     -2.4300000E-02  0.3953000    
 C   -4.467500     -1.0900000E-02  0.1081000    
 C   -5.742000      3.1399999E-02 -0.6861000    
 H    4.038300       1.213300      -1.367300    
 H    4.690900       1.179300      0.2955000    
 H    4.718400      -1.143700      0.2379000    
 H    4.065600      -1.110900      -1.424800    
 H   -1.848400     -0.9539000      0.9618000    
 H   -1.850000      0.8376000       1.060000    
 H   -5.800600     -0.8317000      -1.354800    
 H   -5.800300      0.9604000      -1.260000    
 H   -6.595100     -4.4000000E-03 -1.8000000E-03


%chk=000127532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127532

0 1
S -3.073588 1.142398 0.046364
O 0.594940 0.473338 1.067221
O 1.917565 2.284437 -0.773817
O 2.207541 -1.920036 1.341679
O -0.370275 -0.550177 -0.840217
O -4.106466 -1.392577 0.346082
N 1.852293 0.246168 0.440989
C 3.764687 0.583550 -0.882490
C 3.859027 -0.802765 -0.188208
C 2.428266 1.196193 -0.449324
C 2.578025 -0.962483 0.636719
C -0.523828 -0.023727 0.263010
C -1.780871 0.224849 1.060068
C -4.281085 -0.277281 -0.183169
C -5.440957 0.099439 -1.078199
H 3.775241 0.513333 -1.983159
H 4.579349 1.267883 -0.590523
H 4.728451 -0.889771 0.485279
H 3.916707 -1.638196 -0.906110
H -2.248893 -0.749702 1.310678
H -1.570643 0.797217 1.972650
H -5.243016 -0.288251 -2.095205
H -5.579933 1.190406 -1.144793
H -6.363740 -0.378344 -0.709228


