%chk=000096973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096973

0 1
 S   -2.736300     -0.9259000      0.3446000    
 S    4.475500       2.091400     -0.2018000    
 O    2.598300      -2.685300     -3.5900000E-02
 N    1.827900       1.391800     -8.8000000E-03
 N    3.411000     -0.4703000     -0.1105000    
 N  -0.1182000      -1.524700      0.1544000    
 N  -0.5224000      0.6629000      0.1687000    
 C    1.097200     -0.9091000      6.1000001E-02
 C   0.8254000      0.4294000      7.1400002E-02
 C    2.400300      -1.473200     -3.0400001E-02
 C   -1.063500     -0.5359000      0.2168000    
 C   -5.076000      0.6107000      0.5100000    
 C    3.195400      0.9708000     -0.1040000    
 C   -3.554900      0.7080000      0.3954000    
 C   -5.738300     -9.5200002E-02 -0.6763000    
 C    1.448700       2.811600      9.2000002E-03
 C    4.784400     -0.9847000     -0.2070000    
 C   -7.254700     -7.2400004E-02 -0.5568000    
 H  -0.2913000      -2.521000      0.1743000    
 H   -5.345900      9.8800004E-02   1.442400    
 H   -5.476800       1.629200      0.5887000    
 H   -3.286400       1.262900     -0.5102000    
 H   -3.164700       1.262700       1.255600    
 H   -5.445100      0.3962000      -1.611400    
 H   -5.414200      -1.139000     -0.7406000    
 H    1.915000       3.296200      0.8725000    
 H   0.3654000       2.943700      7.7600002E-02
 H    1.800500       3.289300     -0.9104000    
 H    5.365700     -0.6190000      0.6453000    
 H    5.237700     -0.6272000      -1.136800    
 H    4.825700      -2.076800     -0.2049000    
 H   -7.709900     -0.5802000      -1.412900    
 H   -7.631400      0.9551000     -0.5325000    
 H   -7.583700     -0.5815000      0.3549000    


%chk=000096973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096973

0 1
S -2.826145 -1.074454 0.174178
S 4.421184 2.130843 -0.086412
O 2.805129 -2.737505 -0.031676
N 1.818711 1.335641 0.003778
N 3.447237 -0.437281 -0.053935
N -0.098134 -1.655255 0.071871
N -0.549476 0.579909 0.089262
C 1.138370 -0.995895 0.027493
C 0.824693 0.368305 0.039434
C 2.473080 -1.512731 -0.019833
C -1.079502 -0.674010 0.109082
C -5.042035 0.654784 0.440813
C 3.172383 0.950632 -0.043629
C -3.530011 0.705026 0.183782
C -5.864613 -0.050993 -0.662815
C 1.451747 2.767282 0.017333
C 4.868224 -0.854235 -0.103194
C -7.382214 0.007399 -0.388302
H -0.222545 -2.667522 0.074912
H -5.242443 0.180346 1.421930
H -5.386697 1.706105 0.529125
H -3.279646 1.147031 -0.793934
H -2.981478 1.241944 0.972776
H -5.641888 0.421660 -1.640613
H -5.544139 -1.108215 -0.748776
H 1.897519 3.260943 0.896507
H 0.353722 2.826249 0.050328
H 1.844547 3.263579 -0.885201
H 5.407479 -0.452296 0.770097
H 5.345518 -0.453736 -1.012503
H 4.884566 -1.953946 -0.102844
H -7.953874 -0.501347 -1.185200
H -7.737133 1.053874 -0.333680
H -7.631736 -0.482832 0.571448


