%chk=000163121.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163121

0 1
 S    1.502700      -1.118500      -1.270700    
 O   -1.829800      -3.127800      0.7190000    
 O   0.1803000      -3.080000     -0.1623000    
 O   -3.863800       2.659700      9.6000005E-03
 O   -4.583700      0.7597000      0.8409000    
 N  -0.8956000      -2.518600      0.1486000    
 N   -3.699000       1.443700      0.2719000    
 N    2.495100     -0.1306000       1.003800    
 N    3.550500      0.5807000      -1.042500    
 C  -6.5399997E-02 -0.3969000     -0.7920000    
 C   -1.062900      -1.137900     -0.1581000    
 C   -2.473600      0.8224000     -8.6999997E-02
 C   -2.267000     -0.5281000      0.1944000    
 C  -0.2722000      0.9537000      -1.073300    
 C   -1.476200       1.563300     -0.7208000    
 C    2.640500     -0.1118000     -0.3335000    
 C    3.372200      0.6397000       1.680500    
 C    4.395200       1.329000     -0.3031000    
 C    4.352700       1.398300       1.074500    
 H   -3.049500      -1.098900      0.6889000    
 H   0.4854000       1.552900      -1.572900    
 H   -1.602700       2.616900     -0.9569000    
 H    3.260900      0.6302000       2.759500    
 H    5.131900       1.890700     -0.8674000    
 H    5.043000       2.007400       1.642300    


%chk=000163121-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163121

0 1
S 1.536446 -1.111263 -0.924459
O -2.073514 -3.426008 0.165383
O -0.156040 -3.214034 -1.057460
O -4.087705 2.523884 0.477669
O -4.963526 0.417846 0.600915
N -1.152034 -2.719922 -0.395072
N -3.986539 1.238034 0.410204
N 2.405213 1.008529 0.722358
N 3.995322 -0.116999 -0.738504
C -0.101529 -0.406146 -0.507933
C -1.236500 -1.245515 -0.291610
C -2.654147 0.670974 0.093191
C -2.506221 -0.721049 0.024345
C -0.308214 0.998250 -0.437841
C -1.566754 1.542010 -0.145339
C 2.747923 0.110196 -0.235848
C 3.427580 1.760712 1.232737
C 4.999816 0.637913 -0.207580
C 4.762529 1.604717 0.798871
H -3.349161 -1.392742 0.205583
H 0.532681 1.671045 -0.606748
H -1.724196 2.622581 -0.104348
H 3.151567 2.486996 2.004262
H 6.002418 0.454560 -0.607332
H 5.573584 2.204630 1.217957


