%chk=000089203.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089203

0 1
 S  -6.5899998E-02  0.9376000       1.806300    
 O    4.608100      -1.521900     -0.9106000    
 N   -1.246500      -1.089500     -0.3058000    
 N   -3.247700      -3.141300      7.3399998E-02
 C  -0.1708000     -0.4433000      -1.055000    
 C   -2.493900      -1.090100      -1.079800    
 C  -0.8730000      -2.459800      6.5899998E-02
 C   -3.622000      -1.771100     -0.2975000    
 C   -2.001400      -3.139500      0.8490000    
 C  -0.5715000      0.9446000      -1.581500    
 C    1.152900     -0.4035000     -0.3195000    
 C  -0.8020000       2.144100     -0.6809000    
 C    1.306400      0.2208000      0.9295000    
 C   -4.323600      -3.788900      0.8211000    
 C    2.281900     -0.9829000     -0.9274000    
 C  -0.6007000       2.240600      0.7082000    
 C   -1.253200       3.299200      -1.365500    
 C    2.564900      0.2419000       1.550200    
 C    3.530200     -0.9514000     -0.3065000    
 C  -0.8711000       3.463900       1.359600    
 C    3.671600     -0.3386000      0.9327000    
 C   -1.508500       4.501300     -0.7086000    
 C   -1.317800       4.583100      0.6598000    
 C    5.853700      -1.455400     -0.2172000    
 H  -1.1100000E-02  -1.048000      -1.962000    
 H   -2.363100      -1.585400      -2.051200    
 H   -2.858300     -7.4600004E-02  -1.260600    
 H   1.0800000E-02  -2.474400      0.7132000    
 H  -0.6354000      -3.058000     -0.8246000    
 H   -4.518300      -1.790600     -0.9295000    
 H   -3.864100      -1.177000      0.5946000    
 H   -2.140100      -2.631100       1.813000    
 H   -1.698700      -4.171400       1.064700    
 H   -1.411000      0.8634000      -2.283000    
 H   0.2646000       1.258100      -2.229700    
 H   -4.058000      -4.825500       1.056500    
 H   -5.239400      -3.827800      0.2208000    
 H   -4.548300      -3.269000       1.759400    
 H    2.191300      -1.464400      -1.899000    
 H   -1.409500       3.262600      -2.443000    
 H    2.697400      0.7100000       2.523600    
 H  -0.7336000       3.562900       2.435800    
 H    4.608600     -0.2786000       1.475400    
 H   -1.854600       5.365500      -1.267000    
 H   -1.514900       5.512100       1.186000    
 H    6.188400     -0.4203000     -8.9900002E-02
 H    6.598900      -1.957900     -0.8425000    
 H    5.814600      -1.998800      0.7330000    


%chk=000089203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089203

0 1
S 0.319193 1.130070 1.825094
O 4.750354 -1.921517 -0.956759
N -1.043921 -0.883638 -0.432753
N -3.226945 -2.713606 0.147245
C 0.122291 -0.325428 -1.166260
C -2.280454 -0.895809 -1.255052
C -0.793107 -2.237763 0.124572
C -3.480176 -1.368134 -0.417956
C -1.992726 -2.695505 0.967660
C -0.124637 1.149315 -1.626493
C 1.424594 -0.407742 -0.372041
C -0.890217 2.077184 -0.688175
C 1.625687 0.275508 0.859902
C -4.388726 -3.241397 0.886023
C 2.509876 -1.113007 -0.931463
C -0.728252 2.168866 0.721633
C -1.823034 2.966097 -1.293461
C 2.884629 0.219158 1.499607
C 3.768611 -1.176391 -0.285783
C -1.481336 3.113169 1.470840
C 3.960885 -0.508702 0.946536
C -2.572805 3.904960 -0.557502
C -2.400013 3.975881 0.843195
C 6.069969 -2.018610 -0.329194
H 0.299578 -0.911674 -2.108368
H -2.166682 -1.570626 -2.142733
H -2.490253 0.125108 -1.616865
H 0.106131 -2.203902 0.763133
H -0.614765 -2.987013 -0.688336
H -4.378787 -1.415911 -1.062136
H -3.668882 -0.611638 0.386231
H -2.092258 -2.007335 1.845618
H -1.804714 -3.717288 1.348315
H -0.667213 1.132421 -2.589837
H 0.869488 1.582705 -1.852825
H -4.171934 -4.266779 1.236675
H -5.266324 -3.287380 0.215822
H -4.667587 -2.623138 1.777861
H 2.390171 -1.638612 -1.884835
H -1.955809 2.908983 -2.381653
H 3.029875 0.761014 2.440353
H -1.336266 3.172537 2.555898
H 4.921705 -0.529810 1.468525
H -3.279382 4.568718 -1.067030
H -2.967297 4.696088 1.442723
H 6.539833 -1.021269 -0.222659
H 6.668263 -2.638962 -1.012296
H 6.009671 -2.507498 0.662904


