%chk=000060351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060351

0 1
 S    3.106700       2.938700      0.4474000    
 O   0.7726000       1.848700      0.1258000    
 N   -2.577400      0.3753000     -0.3141000    
 C   -2.538700     -0.6317000      0.7556000    
 C   -3.913500      0.9765000     -0.4296000    
 C   -3.553600      -1.747000      0.5004000    
 C   -4.973300     -8.6300001E-02 -0.7238000    
 C   -4.961500      -1.187600      0.3302000    
 C   -1.569500       1.409200     -7.9999998E-02
 C  -0.1728000      0.8087000     -8.7600000E-02
 C    2.115000       1.622900      0.1901000    
 C    2.592400      0.2466000      3.1300001E-02
 C    2.901400     -0.2305000      -1.236500    
 C    2.731200     -0.5652000       1.150200    
 C    3.356200      -1.540400      -1.387900    
 C    3.186200      -1.875200      0.9988000    
 C    3.498600      -2.362600     -0.2703000    
 H   -2.728900     -0.1742000       1.735300    
 H   -1.572400      -1.139600      0.8080000    
 H   -3.924200       1.703800      -1.250400    
 H   -4.179400       1.516900      0.4885000    
 H   -3.538800      -2.459900       1.332700    
 H   -3.270500      -2.303400     -0.4024000    
 H   -4.789200     -0.5248000      -1.712800    
 H   -5.964600      0.3795000     -0.7604000    
 H   -5.653000      -1.988300      4.5899998E-02
 H   -5.312500     -0.7823000       1.287000    
 H   -1.742800       1.941600      0.8650000    
 H   -1.617800       2.171100     -0.8690000    
 H   2.1199999E-02  0.3240000      -1.051100    
 H  -3.8899999E-02  9.1799997E-02  0.7242000    
 H    2.791900      0.4008000      -2.114200    
 H    2.488400     -0.1964000       2.143100    
 H    3.598800      -1.920300      -2.376000    
 H    3.296300      -2.515800       1.868900    
 H    3.852300      -3.382700     -0.3882000    


%chk=000060351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060351

0 1
S 2.871910 2.726419 1.194008
O 0.840167 1.812509 -0.232463
N -2.637652 0.401797 -0.175749
C -2.766651 -0.574530 0.937905
C -3.940405 1.037478 -0.504420
C -3.779300 -1.683877 0.591331
C -4.987664 -0.026207 -0.895120
C -5.152330 -1.072886 0.230162
C -1.540223 1.372972 0.038597
C -0.222519 0.784801 -0.493580
C 2.058791 1.501959 0.353017
C 2.625799 0.137183 0.150156
C 2.508591 -0.526188 -1.105052
C 3.362455 -0.488820 1.192933
C 3.118226 -1.781948 -1.308817
C 3.949262 -1.754731 0.993227
C 3.831525 -2.405350 -0.258721
H -3.094443 -0.059429 1.879760
H -1.774605 -1.019473 1.140424
H -3.781938 1.740327 -1.343291
H -4.331875 1.633349 0.362094
H -3.872701 -2.376238 1.449981
H -3.394002 -2.264548 -0.268970
H -4.651640 -0.530207 -1.822059
H -5.952323 0.471337 -1.112389
H -5.860792 -1.864755 -0.077859
H -5.584257 -0.583255 1.127679
H -1.413527 1.657190 1.109333
H -1.757410 2.302458 -0.517252
H -0.288919 0.627283 -1.582939
H 0.038379 -0.166647 0.000950
H 1.979398 -0.039319 -1.931162
H 3.471685 0.037978 2.146614
H 3.040987 -2.270475 -2.286211
H 4.505548 -2.230346 1.808159
H 4.298356 -3.383910 -0.416177


