%chk=000084111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084111

0 1
 S  -0.9269000       1.988300      0.6534000    
 O   -1.001400       1.684300       2.069400    
 O  -0.9266000       3.364500      0.1961000    
 O   -3.581100     -0.6165000     -0.6858000    
 O    2.188600      -2.036900       1.826200    
 O    3.797700      -2.136700      0.3361000    
 O   -2.296400     -0.7567000       1.212800    
 N   -2.140700       1.118800     -0.1775000    
 N    2.761900      -1.603000      0.7991000    
 C   0.5337000       1.232700      5.5999998E-03
 C    2.821100      4.9400002E-02  -1.010300    
 C    1.066400      0.1285000      0.6486000    
 C    2.218900     -0.4677000      0.1367000    
 C    1.118500       1.758900      -1.133500    
 C    2.270900       1.162700      -1.645400    
 C    4.055800     -0.5665000      -1.584800    
 C   -2.654200     -0.1577000      0.2059000    
 C   -4.153300      -1.894400     -0.3867000    
 C   -5.153000      -2.251800      -1.465800    
 H   0.5798000     -0.2626000       1.537500    
 H   0.7016000       2.619500      -1.647300    
 H    2.724800       1.578500      -2.541100    
 H   -2.544600       1.560200      -1.013400    
 H    4.371800     -1.6799999E-02  -2.481300    
 H    4.906900     -0.4965000     -0.8994000    
 H    3.880800      -1.590300      -1.931700    
 H   -3.360500      -2.650000     -0.3516000    
 H   -4.657500      -1.850100      0.5850000    
 H   -5.610600      -3.225100      -1.268200    
 H   -5.942600      -1.495400      -1.525500    
 H   -4.667000      -2.282000      -2.446600    


%chk=000084111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084111

0 1
S -0.987871 2.044816 0.545746
O -1.127018 1.837053 2.139664
O -1.098765 3.509156 -0.144047
O -3.783462 -0.580398 -0.670447
O 2.284377 -1.819223 2.131211
O 3.706206 -2.370213 0.441933
O -1.763047 -1.011707 0.469025
N -2.320132 1.121486 -0.345164
N 2.795315 -1.619749 0.965241
C 0.585660 1.205727 -0.062562
C 2.986981 0.035818 -0.968839
C 1.089906 0.117692 0.650083
C 2.292586 -0.455827 0.178321
C 1.212048 1.758050 -1.190489
C 2.412215 1.160253 -1.623714
C 4.279436 -0.533399 -1.514762
C -2.553032 -0.231569 -0.115815
C -4.140465 -2.034630 -0.570157
C -5.515546 -2.185984 -1.209331
H 0.587757 -0.285986 1.532936
H 0.786415 2.631601 -1.694559
H 2.928678 1.573593 -2.495811
H -3.036999 1.724161 -0.764693
H 4.656978 0.102737 -2.332503
H 5.057140 -0.614071 -0.736017
H 4.134026 -1.558933 -1.895292
H -3.360754 -2.617336 -1.092612
H -4.131638 -2.315516 0.497723
H -5.831319 -3.243890 -1.159215
H -6.266292 -1.574810 -0.680415
H -5.496584 -1.879303 -2.268942


