%chk=000178962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178962

0 1
 S   0.4511000       1.007000      0.7464000    
 O   2.0000001E-03   2.390400      0.3879000    
 O    3.454800      -1.055300     -0.3450000    
 O  -0.8356000      -2.520200      0.1288000    
 N    1.922000      0.6043000      8.1799999E-02
 N  -0.5766000     -0.2180000      0.2735000    
 N    1.318400      -1.696800      0.2793000    
 C    2.860700       1.665400     -0.2704000    
 C    2.310600     -0.7289000     -4.8000002E-03
 C    3.270500       1.545900      -1.732600    
 C    4.075800       1.631000      0.6481000    
 C  -9.1399997E-02  -1.534900      0.2193000    
 C   -1.975100      6.1099999E-02  6.6500001E-02
 C    1.792800      -3.075600      0.3900000    
 C   -2.732000     -0.7641000     -0.7622000    
 C   -2.564800       1.155400      0.6954000    
 C   -4.085700     -0.4936000     -0.9628000    
 C   -3.918600       1.425700      0.4949000    
 C   -4.679000      0.6011000     -0.3341000    
 H    2.375100       2.639800     -0.1430000    
 H    3.853200       2.424200      -2.032500    
 H    3.888900      0.6691000      -1.943200    
 H    2.389000       1.496100      -2.381500    
 H    3.771200       1.628500       1.700500    
 H    4.693300       2.521700      0.4852000    
 H    4.724100      0.7658000      0.4859000    
 H    1.127800      -3.661800       1.031200    
 H    2.803800      -3.108300      0.8070000    
 H    1.803600      -3.516900     -0.6118000    
 H   -2.306500      -1.585400      -1.328800    
 H   -2.049300       1.792000       1.405900    
 H   -4.675100      -1.126300      -1.620200    
 H   -4.385000       2.268900      0.9961000    
 H   -5.733000      0.8115000     -0.4903000    


%chk=000178962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178962

0 1
S 0.673757 0.640994 1.737800
O 0.129882 2.153099 1.521725
O 3.354743 -1.277680 -0.439452
O -0.714398 -2.824637 0.244895
N 1.958648 0.404293 0.385620
N -0.610290 -0.567646 0.861696
N 1.392509 -1.880787 0.748446
C 2.477467 1.585414 -0.347843
C 2.312459 -0.918232 0.176604
C 2.290012 1.406824 -1.871932
C 3.941942 1.886871 0.043842
C -0.042728 -1.808980 0.572871
C -1.788019 -0.031137 0.273897
C 1.928364 -3.265273 0.849358
C -2.063194 -0.233419 -1.107160
C -2.671535 0.747022 1.066337
C -3.229152 0.315714 -1.674166
C -3.821261 1.316483 0.479994
C -4.107494 1.099883 -0.887280
H 1.828929 2.423566 -0.014051
H 2.619846 2.325768 -2.388486
H 2.893753 0.561559 -2.242851
H 1.228702 1.232259 -2.122303
H 4.039877 2.035226 1.133976
H 4.277468 2.810435 -0.461504
H 4.598554 1.055159 -0.260677
H 1.314820 -3.826255 1.569857
H 2.971865 -3.210387 1.192209
H 1.896707 -3.781552 -0.124698
H -1.386158 -0.845944 -1.711157
H -2.460285 0.896002 2.129524
H -3.450897 0.138175 -2.732086
H -4.497139 1.921140 1.093821
H -5.006752 1.534843 -1.336327


