%chk=000023795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023795

0 1
 S   -1.792500      -1.296800      -2.125900    
 O  -9.6199997E-02  -1.013500       2.407400    
 N    2.268900     -0.4036000      6.5899998E-02
 C    2.225000      0.8795000      0.7813000    
 C    3.640100     -0.7359000     -0.3452000    
 C    2.760300       2.016000     -9.0899996E-02
 C    4.221800      0.3478000      -1.254400    
 C    4.170600       1.717400     -0.5871000    
 C    1.710500      -1.471100      0.8955000    
 C   0.2629000      -1.142700       1.236200    
 C  -0.7044000     -0.9804000      0.1343000    
 C   -1.839100     -0.1346000      0.1833000    
 C   -2.546900     -0.2097000      -1.020400    
 C  -0.5430000      -1.665000      -1.026600    
 C   -2.333800      0.7195000       1.198400    
 C   -3.721600      0.5385000      -1.232000    
 C   -3.498900       1.462600      0.9918000    
 C   -4.183600       1.372000     -0.2116000    
 H    2.807900      0.8271000       1.710700    
 H    1.201800       1.155500       1.057800    
 H    3.641600      -1.682600     -0.8990000    
 H    4.289200     -0.8692000      0.5304000    
 H    2.760900       2.952000      0.4792000    
 H    2.093900       2.164800     -0.9501000    
 H    3.658300      0.3787000      -2.195700    
 H    5.258000      9.9699996E-02  -1.510300    
 H    4.493600       2.491700      -1.291500    
 H    4.868600       1.738800      0.2588000    
 H    1.741700      -2.443000      0.3905000    
 H    2.269600      -1.581800       1.833800    
 H   0.2224000      -2.371500      -1.314300    
 H   -1.816000      0.8192000       2.148600    
 H   -4.264200      0.4736000      -2.170800    
 H   -3.867600       2.115900       1.777700    
 H   -5.088400       1.954300     -0.3634000    


%chk=000023795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023795

0 1
S -1.528994 0.086883 -2.372618
O -0.286021 -0.503599 2.505825
N 2.411101 -0.269579 0.124470
C 2.618464 1.135622 0.573675
C 3.705376 -0.946998 -0.166622
C 3.373102 1.951538 -0.493550
C 4.490845 -0.191177 -1.256667
C 4.720487 1.281940 -0.847656
C 1.606113 -1.042469 1.100775
C 0.154096 -0.559442 1.314224
C -0.721405 -0.261732 0.154065
C -2.154313 0.053883 0.250343
C -2.751283 0.269262 -1.031534
C -0.265693 -0.275934 -1.160665
C -2.982123 0.161031 1.402321
C -4.114696 0.579298 -1.196895
C -4.346982 0.472379 1.248423
C -4.913855 0.680451 -0.037781
H 3.189387 1.159473 1.538227
H 1.629169 1.588689 0.769476
H 3.489095 -1.980859 -0.497250
H 4.335322 -1.018248 0.758631
H 3.533718 2.980553 -0.119572
H 2.742834 2.022513 -1.401572
H 3.916193 -0.227411 -2.203069
H 5.455922 -0.703608 -1.433283
H 5.227537 1.834560 -1.660800
H 5.391851 1.317513 0.035353
H 1.552501 -2.091751 0.743683
H 2.066229 -1.060425 2.117913
H 0.770668 -0.433230 -1.463386
H -2.536265 -0.000535 2.386276
H -4.546003 0.737843 -2.190412
H -4.982857 0.555605 2.136568
H -5.978119 0.921160 -0.134516


