%chk=000004940.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004940

0 1
 S   -1.701900       2.608300       1.016400    
 O    4.872900       1.609100     -6.0600001E-02
 N  -0.9338000     -0.1400000     -0.2168000    
 N   0.1787000      -3.587500      0.7135000    
 C  -9.7900003E-02  -2.164400      0.9184000    
 C  -0.6219000      -1.564500     -0.3904000    
 C   0.1473000      0.7373000      5.1399998E-02
 C   -2.282200      0.2597000     -0.3975000    
 C   -1.100500      -2.019100       2.063200    
 C  -7.5000003E-02   2.020700      0.5884000    
 C   -2.745300       1.495900      9.5500000E-02
 C    1.484300      0.3864000     -0.2375000    
 C   -3.209800     -0.5361000      -1.104600    
 C    1.136200      -3.768500     -0.3762000    
 C   -1.059600      -4.312100      0.4334000    
 C    2.548800       1.256100      1.4300000E-02
 C    1.000300       2.890100      0.8445000    
 C   -4.081500       1.891000     -9.3400002E-02
 C    2.306800       2.508300      0.5587000    
 C   -4.535500     -0.1363000      -1.293700    
 C   -4.972600       1.077100     -0.7850000    
 C    3.911500      0.8462000     -0.2869000    
 C    4.179700     -0.5436000     -0.8912000    
 C    5.651100     -0.8138000      -1.163800    
 H   0.8317000      -1.690000       1.249500    
 H   5.6600001E-02  -1.665200      -1.243000    
 H   -1.493700      -2.133800     -0.6841000    
 H   -2.134000      -2.227700       1.767000    
 H  -0.8398000      -2.658900       2.914400    
 H   -1.089500     -0.9892000       2.439900    
 H    1.695000     -0.5761000     -0.6866000    
 H   -2.945600      -1.462400      -1.603300    
 H    2.011000      -3.120300     -0.2561000    
 H   0.7165000      -3.626400      -1.377700    
 H    1.518100      -4.796200     -0.3447000    
 H  -0.8180000      -5.382500      0.3825000    
 H   -1.536600      -4.082500     -0.5236000    
 H   -1.801200      -4.251100       1.234700    
 H   0.8299000       3.876900       1.270500    
 H   -4.442800       2.840600      0.2964000    
 H    3.113100       3.205300      0.7689000    
 H   -5.218500     -0.7690000      -1.853400    
 H   -6.000900       1.393200     -0.9306000    
 H    3.814700      -1.302600     -0.1909000    
 H    3.635900     -0.6242000      -1.838700    
 H    6.237700     -0.7562000     -0.2411000    
 H    5.782900      -1.812300      -1.591900    
 H    6.060200     -8.1699997E-02  -1.867800    


%chk=000004940-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004940

0 1
S -1.788482 2.361615 1.501936
O 4.803697 1.610753 -0.236937
N -1.088243 -0.185921 -0.046180
N 0.232124 -3.682288 0.853819
C -0.240093 -2.292745 1.089986
C -0.857648 -1.640503 -0.198478
C 0.029463 0.677073 0.168651
C -2.350903 0.375487 -0.417497
C -1.229176 -2.205753 2.269205
C -0.143722 1.928936 0.826233
C -2.803244 1.584554 0.179998
C 1.334167 0.328149 -0.263600
C -3.183284 -0.230885 -1.397781
C 1.506685 -3.787713 0.124668
C -0.773215 -4.660837 0.402531
C 2.443730 1.181487 -0.027278
C 0.946678 2.799909 1.033670
C -4.035265 2.165198 -0.176683
C 2.239924 2.425551 0.625315
C -4.437352 0.327430 -1.727923
C -4.871820 1.526496 -1.121313
C 3.838210 0.821444 -0.460391
C 4.069817 -0.513084 -1.182152
C 5.543483 -0.755627 -1.548741
H 0.661176 -1.714324 1.370659
H -0.224014 -1.866249 -1.082773
H -1.838017 -2.112844 -0.372553
H -2.174701 -2.739005 2.057630
H -0.775105 -2.649260 3.171371
H -1.480858 -1.150745 2.476147
H 1.483826 -0.618466 -0.788473
H -2.844838 -1.131472 -1.918917
H 2.255503 -3.118817 0.587078
H 1.445387 -3.538745 -0.966936
H 1.888919 -4.822618 0.200123
H -0.354106 -5.679640 0.497614
H -1.096241 -4.533691 -0.661495
H -1.670449 -4.610594 1.041988
H 0.777019 3.761216 1.529549
H -4.344202 3.104587 0.294033
H 3.104526 3.074059 0.794939
H -5.064591 -0.168544 -2.476594
H -5.839690 1.965997 -1.382003
H 3.689899 -1.333492 -0.538327
H 3.436793 -0.531036 -2.093696
H 6.177431 -0.770435 -0.645866
H 5.658819 -1.718564 -2.077839
H 5.924783 0.051955 -2.196315


