%chk=000019396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019396

0 1
 S   -1.858300       1.048800       1.101400    
 O   -1.283100      0.7504000       2.397300    
 O   -3.072100       1.828300      0.9513000    
 N  -9.0300001E-02 -0.2212000      -1.006700    
 N    3.338900      -1.436500       1.298100    
 C    2.278400     -0.9922000     -0.9080000    
 C   0.9697000     -0.9507000      -1.716900    
 C   -1.249200     -0.9541000     -0.6531000    
 C   0.1233000       1.159400     -0.7753000    
 C    2.107700      -1.539500      0.5220000    
 C   -2.153100     -0.4871000      0.3104000    
 C  -0.6204000       1.873000      0.1737000    
 C    3.359300      -1.790900      -1.645300    
 C   -1.586000      -2.181000      -1.260200    
 C    1.072300       1.912000      -1.496700    
 C   -3.307400      -1.186600      0.6805000    
 C  -0.4347000       3.237500      0.4244000    
 C   -2.737000      -2.895600     -0.9033000    
 C    1.272400       3.278400      -1.260300    
 C   -3.595200      -2.399900      7.0400000E-02
 C   0.5215000       3.939700     -0.2965000    
 C    3.134500      -1.941400       2.656600    
 C    3.808900     -5.0799999E-02   1.336200    
 H    2.649600      3.1900000E-02 -0.8601000    
 H    1.128100     -0.5264000      -2.716500    
 H   0.7438000      -1.999300      -1.912900    
 H    1.796400      -2.590500      0.4615000    
 H    1.303600      -1.002100       1.039400    
 H    4.336200      -1.715300      -1.158200    
 H    3.479900      -1.416500      -2.667900    
 H    3.092400      -2.851600      -1.708500    
 H   -1.017200      -2.615400      -2.075300    
 H    1.672400       1.473900      -2.289300    
 H   -3.982400     -0.7970000       1.437200    
 H   -1.025200       3.756800       1.173800    
 H   -2.966400      -3.833700      -1.400900    
 H    2.013200       3.823200      -1.838900    
 H   -4.488300      -2.952500      0.3450000    
 H   0.6764000       4.998500     -0.1141000    
 H    2.802500      -2.985300       2.633200    
 H    2.391200      -1.354900       3.209100    
 H    4.074600      -1.925800       3.219300    
 H    4.617400      5.5799998E-02   2.070300    
 H    3.017700      0.6545000       1.616300    
 H    4.257800      0.2615000      0.3887000    


%chk=000019396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019396

0 1
S -1.380905 0.931958 1.436449
O -0.220511 0.297834 2.410166
O -2.585501 1.816786 2.104027
N -0.028078 -0.292467 -1.031124
N 3.395560 -1.333990 1.461610
C 2.403393 -0.981396 -0.833558
C 1.077062 -1.091044 -1.632679
C -1.252178 -0.922434 -0.674343
C 0.126131 1.116599 -0.927033
C 2.238790 -1.615039 0.571702
C -2.079018 -0.428892 0.370453
C -0.544308 1.879562 0.065792
C 3.551395 -1.649286 -1.620389
C -1.756605 -2.047368 -1.390330
C 0.916381 1.855185 -1.855875
C -3.341019 -0.951153 0.689742
C -0.522576 3.280466 0.129895
C -3.006019 -2.609276 -1.062165
C 0.976198 3.260660 -1.790351
C -3.815271 -2.063353 -0.035455
C 0.246414 3.987534 -0.817219
C 3.485148 -2.314723 2.566584
C 3.372722 0.054437 1.985858
H 2.648099 0.090890 -0.708704
H 1.241008 -0.804274 -2.690973
H 0.763451 -2.148313 -1.631254
H 2.168590 -2.714871 0.446162
H 1.285212 -1.266978 1.037983
H 4.456996 -1.662525 -0.990018
H 3.780628 -1.110342 -2.559403
H 3.301931 -2.697489 -1.879441
H -1.193110 -2.454136 -2.234901
H 1.459637 1.331967 -2.647459
H -3.922868 -0.490209 1.495406
H -1.090843 3.789931 0.915748
H -3.366466 -3.468860 -1.637581
H 1.585940 3.798393 -2.524549
H -4.791819 -2.499056 0.194804
H 0.289592 5.080249 -0.790804
H 3.567643 -3.336271 2.153315
H 2.604785 -2.286704 3.256073
H 4.392238 -2.113670 3.164930
H 4.252372 0.212203 2.635219
H 2.446684 0.278194 2.568013
H 3.436898 0.781073 1.156877


