%chk=000016653.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016653

0 1
 S   -2.191100     -0.7732000      2.2900000E-02
 O   -1.347000       1.693200      0.1905000    
 N   0.3310000      0.1025000      0.5017000    
 C    2.900500      -1.057900     -0.7890000    
 C    3.332900      0.4015000     -0.6760000    
 C    2.248200      -1.596300      0.4828000    
 C    2.191600       1.399100     -0.4989000    
 C   0.7501000      -1.306600      0.5686000    
 C    1.337100       1.142100      0.7382000    
 C  -0.9940000      0.5171000      0.2468000    
 C   -3.687300      0.1955000     -0.2668000    
 C   -4.872000     -0.7170000     -0.5210000    
 H    2.238700      -1.194500      -1.652300    
 H    3.800300      -1.653300     -0.9885000    
 H    4.038400      0.5073000      0.1578000    
 H    3.888300      0.6708000      -1.582900    
 H    2.771100      -1.225900       1.372000    
 H    2.369800      -2.687100      0.4951000    
 H    1.565900       1.411000      -1.399700    
 H    2.637300       2.397700     -0.4110000    
 H   0.2566000      -1.857300     -0.2395000    
 H   0.3640000      -1.705100       1.514600    
 H    1.937600      0.8761000       1.614700    
 H   0.8277000       2.077400      0.9968000    
 H   -3.889400      0.8242000      0.6064000    
 H   -3.537800      0.8481000      -1.133000    
 H   -4.715100      -1.343400      -1.405800    
 H   -5.069400      -1.368800      0.3369000    
 H   -5.772500     -0.1187000     -0.6953000    


%chk=000016653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016653

0 1
S -2.060902 -1.296251 -0.605565
O -1.480377 1.364934 -0.129849
N 0.232433 -0.131031 0.420343
C 2.913500 -0.840032 -0.816431
C 3.253609 0.630967 -0.465550
C 2.280943 -1.630448 0.359514
C 2.037150 1.537424 -0.166798
C 0.743306 -1.523238 0.465459
C 1.073944 0.990950 0.914657
C -1.021861 0.190544 -0.057349
C -3.614124 -0.328564 -1.102346
C -4.568133 -0.110568 0.078727
H 2.236884 -0.873937 -1.694398
H 3.849883 -1.346608 -1.121717
H 3.929407 0.629517 0.415774
H 3.831387 1.077853 -1.298917
H 2.758552 -1.317438 1.309000
H 2.503398 -2.710094 0.250596
H 1.448016 1.710761 -1.087417
H 2.402981 2.529682 0.165809
H 0.298565 -2.073295 -0.384626
H 0.401445 -2.024018 1.394765
H 1.633911 0.646755 1.804254
H 0.384640 1.791743 1.230204
H -3.252237 0.631186 -1.505589
H -4.066186 -0.928394 -1.910157
H -4.884790 -1.068151 0.528005
H -4.079924 0.499948 0.857022
H -5.473921 0.428305 -0.261323


