%chk=000051089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051089

0 1
 S   -3.333800       1.835100      0.1825000    
 N   -1.765400      -1.927800     -0.1354000    
 N    4.474300      0.5333000     -0.2199000    
 C  -0.5396000      0.2151000     -0.2069000    
 C   0.7658000     -0.4013000      0.3158000    
 C   -1.808200     -0.5192000      0.2768000    
 C    1.986700      0.3463000     -0.2320000    
 C   -3.097400      9.4300002E-02 -0.2959000    
 C    3.317700     -0.1758000      0.3148000    
 H  -0.5653000       1.262100      0.1154000    
 H  -0.5176000      0.2254000      -1.304800    
 H   0.8509000      -1.451600      1.7999999E-02
 H   0.7719000     -0.3692000       1.411800    
 H   -1.849900     -0.4899000       1.372600    
 H    1.991300      0.2728000      -1.327100    
 H    1.894300       1.412500      1.2200000E-02
 H   -3.972200     -0.4645000      5.5700000E-02
 H   -3.095900      4.8400000E-02  -1.391000    
 H    3.323100     -8.9699998E-02   1.407400    
 H    3.418800      -1.239600      7.3299997E-02
 H   -1.007300      -2.412500      0.3406000    
 H   -1.569900      -1.992200      -1.133600    
 H    5.321200      0.1862000      0.2282000    
 H    4.408800       1.522300      1.7700000E-02
 H   -3.373300       1.626600       1.506700    


%chk=000051089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051089

0 1
S -3.344488 1.907571 0.333705
N -1.867821 -1.975745 -0.170437
N 4.524483 0.580637 -0.161162
C -0.514873 0.188277 -0.295084
C 0.797666 -0.359338 0.306897
C -1.786257 -0.543979 0.215936
C 2.050404 0.369622 -0.228141
C -3.091496 0.126192 -0.274973
C 3.364395 -0.148816 0.390507
H -0.604377 1.267899 -0.062323
H -0.481163 0.102432 -1.403051
H 0.887904 -1.444218 0.086901
H 0.758353 -0.263748 1.413203
H -1.785344 -0.518540 1.325256
H 2.117612 0.262097 -1.328007
H 1.954927 1.457443 -0.022876
H -3.956933 -0.478637 0.035800
H -3.101360 0.216130 -1.376361
H 3.279277 -0.091416 1.505334
H 3.483556 -1.220516 0.136732
H -1.289216 -2.602058 0.396948
H -1.728284 -2.136602 -1.174736
H 5.435895 0.185293 0.089191
H 4.490135 1.592348 0.002463
H -3.563994 1.574773 1.661177


