%chk=000102509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102509

0 1
 S    3.090900     -3.5500001E-02  -1.067400    
 S    4.684200     -7.5499997E-02  0.2919000    
 O    5.993800     -0.3598000     -0.6363000    
 O    4.812900       1.257300      0.8491000    
 O    4.490100      -1.225600       1.153800    
 N  -0.7488000      0.6038000      7.0299998E-02
 C   -1.992500      0.6699000     -0.6984000    
 C   -2.458300     -0.7537000      -1.062700    
 C   -3.103100       1.399100      8.5600004E-02
 C   -2.772600      -1.670700      0.1284000    
 C   -2.975700       2.925500      5.4499999E-02
 C   -3.308100      -3.059900     -0.2265000    
 C   0.3838000      0.3485000     -0.8054000    
 C   -4.081200       3.589800      0.8615000    
 C    1.666700      0.2825000      1.4000000E-02
 C   -3.682100      -3.895700      0.9876000    
 H   -1.835100       1.224200      -1.633400    
 H   -3.365200     -0.6705000      -1.676900    
 H   -1.726200      -1.250900      -1.709100    
 H   -3.115600       1.060600       1.129800    
 H   -4.081500       1.136000     -0.3377000    
 H   -3.514900      -1.184800      0.7722000    
 H   -1.868600      -1.796300      0.7368000    
 H  -0.5965000       1.484300      0.5606000    
 H   -3.022400       3.280300     -0.9815000    
 H   -2.006200       3.234800      0.4600000    
 H   -2.554500      -3.597700     -0.8136000    
 H   -4.192300      -2.953200     -0.8661000    
 H   0.2629000     -0.6010000      -1.337100    
 H   0.4672000       1.148000      -1.552900    
 H   -5.067600       3.330300      0.4638000    
 H   -4.040900       3.280700       1.910900    
 H   -3.975500       4.678500      0.8238000    
 H    1.607100     -0.5189000      0.7585000    
 H    1.836200       1.226200      0.5436000    
 H   -4.465200      -3.404600       1.573800    
 H   -4.054600      -4.876000      0.6745000    
 H   -2.814100      -4.051400       1.636000    
 H    6.851000     -0.4118000     -0.1520000    


%chk=000102509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102509

0 1
S 3.227678 1.177256 -1.124701
S 4.267682 -0.347624 0.559773
O 4.084573 -1.929183 -0.413598
O 5.846699 -0.158197 0.862815
O 3.237561 -0.414885 1.817006
N -0.762872 0.937860 -0.106667
C -2.065633 0.766763 -0.787739
C -2.393516 -0.723972 -1.127829
C -3.179922 1.451475 0.041392
C -2.563182 -1.661533 0.088590
C -3.048239 2.989789 0.101362
C -2.805779 -3.131124 -0.327807
C 0.474183 0.602995 -0.811985
C -4.142927 3.648211 0.967465
C 1.637745 1.393004 -0.171965
C -2.977750 -4.078804 0.878413
H -1.981339 1.305470 -1.756619
H -3.321029 -0.738572 -1.736872
H -1.588281 -1.122451 -1.779111
H -3.181890 1.041989 1.073622
H -4.160233 1.180306 -0.399281
H -3.410438 -1.321912 0.717790
H -1.656828 -1.618504 0.729002
H -0.768898 0.695255 0.891312
H -3.094973 3.397201 -0.929409
H -2.045653 3.249324 0.492286
H -1.957096 -3.475828 -0.953051
H -3.707229 -3.182354 -0.972338
H 0.735028 -0.479415 -0.805845
H 0.354349 0.899689 -1.871442
H -5.153086 3.420963 0.576741
H -4.098118 3.282588 2.010977
H -4.030567 4.747501 0.991235
H 1.829490 1.022876 0.858243
H 1.418998 2.475041 -0.113639
H -3.837392 -3.773866 1.504922
H -3.151409 -5.120440 0.551898
H -2.076555 -4.072589 1.520239
H 4.774346 -2.567505 -0.061186


