%chk=000124971.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124971

0 1
 S   -2.342800      0.7116000       1.947700    
 S   -2.517400       1.764700     -0.8657000    
 O    3.882400     -0.8072000     -0.6217000    
 N   0.9670000      -1.575500     -0.7248000    
 N   -4.062700      -1.544200     -0.3991000    
 C  -0.7388000     -0.2842000     -0.1337000    
 C   0.4641000      0.4498000      6.4099997E-02
 C    1.519300     -0.3832000     -0.3144000    
 C   -2.111900      0.1916000      0.1294000    
 C  -0.3972000      -1.525300     -0.6192000    
 C    2.858500      1.7600000E-02 -0.2498000    
 C   0.7577000       1.746700      0.5300000    
 C    3.125200       1.308400      0.2154000    
 C    2.092500       2.161300      0.5997000    
 C   -3.221300     -0.7791000     -0.1649000    
 C   -2.192700     -0.9015000       2.763700    
 C   -2.522300       1.086900      -2.548400    
 C    4.440300      -1.638300      0.3916000    
 H  -0.9910000      -2.383200     -0.9023000    
 H    1.493400      -2.372300      -1.055800    
 H  -2.1700000E-02   2.436600      0.8375000    
 H    4.153200       1.657600      0.2800000    
 H    2.325000       3.160700      0.9582000    
 H   -2.228400     -0.7485000       3.846000    
 H   -1.239100      -1.376100       2.521100    
 H   -3.019400      -1.561300       2.490900    
 H   -1.568000      0.6084000      -2.780900    
 H   -2.668900       1.909300      -3.254200    
 H   -3.340500      0.3766000      -2.686500    
 H    4.870600      -1.029800       1.193400    
 H    5.236300      -2.239200     -5.6600001E-02
 H    3.680400      -2.312900      0.7988000    


%chk=000124971-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124971

0 1
S -2.749683 0.833212 1.876165
S -2.632361 1.840845 -0.939172
O 3.556455 -1.433048 -0.253783
N 0.696522 -1.833271 -0.511989
N -4.232464 -1.541866 -0.626759
C -0.982087 -0.355148 -0.063483
C 0.289086 0.303261 0.219712
C 1.309980 -0.655428 -0.074799
C -2.357123 0.210402 0.079241
C -0.683444 -1.653557 -0.505812
C 2.688327 -0.377348 0.079966
C 0.668604 1.592843 0.688129
C 3.050207 0.902039 0.543337
C 2.038407 1.867207 0.840688
C -3.397175 -0.748047 -0.308165
C -2.441802 -0.775498 2.801050
C -2.125198 1.200323 -2.633516
C 4.992975 -1.185282 -0.105447
H -1.365127 -2.444691 -0.812234
H 1.199743 -2.674279 -0.786868
H -0.089525 2.343664 0.921040
H 4.101825 1.171304 0.680238
H 2.352755 2.853287 1.199897
H -2.577810 -0.535131 3.867516
H -1.411935 -1.119912 2.621617
H -3.174370 -1.538069 2.494377
H -1.092491 0.821649 -2.596691
H -2.184152 2.068844 -3.308650
H -2.823173 0.418193 -2.969997
H 5.323205 -0.355155 -0.759088
H 5.483284 -2.120308 -0.413347
H 5.250345 -0.955035 0.946323


