%chk=000114069.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114069

0 1
 S   0.4506000     -0.3360000      0.3576000    
 O   -2.541400       1.297000      0.4917000    
 O   -6.004900      0.1847000      0.9153000    
 O   -4.917000      -1.669900     -0.9067000    
 N    4.470800     -0.1274000     -0.1192000    
 C    3.184100     -0.5003000      0.4609000    
 C    5.568500     -0.7425000      0.6277000    
 C    4.622200       1.328000     -0.1406000    
 C    2.052200      0.1174000     -0.3506000    
 C    5.423600      -2.227400      0.6558000    
 C    5.908300       1.717000     -0.7899000    
 C  -0.6170000      0.5727000     -0.7801000    
 C   -2.049100      0.3632000     -0.4075000    
 C   -2.791000     -0.6385000     -0.9027000    
 C   -4.204300     -0.7688000     -0.4810000    
 C   -4.703600      0.2426000      0.4788000    
 C   -3.851800       1.188100      0.8905000    
 H    3.121700     -0.1872000       1.512100    
 H    3.035900      -1.584900      0.4242000    
 H    6.527100     -0.5433000      0.1376000    
 H    5.635300     -0.3524000       1.651300    
 H    3.855500       1.800800     -0.7592000    
 H    4.554000       1.763900      0.8639000    
 H    2.093700     -0.2144000      -1.393600    
 H    2.060100       1.208100     -0.3207000    
 H    4.657600      -2.568300       1.359900    
 H    5.205700      -2.643700     -0.3343000    
 H    6.362900      -2.683400      0.9906000    
 H    6.777800       1.550100     -0.1461000    
 H    6.068400       1.194900      -1.740100    
 H    5.901300       2.790300      -1.014500    
 H  -0.3729000       1.640200     -0.7511000    
 H  -0.4326000      0.2208000      -1.801300    
 H   -2.398200      -1.363500      -1.605700    
 H   -4.104300       1.974700       1.587800    
 H   -6.151000      0.9210000       1.534300    


%chk=000114069-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114069

0 1
S 0.405127 -0.437927 0.613802
O -2.440241 1.287514 -0.111940
O -6.049563 0.834215 0.709756
O -5.352969 -1.706801 -0.217486
N 4.522752 0.050424 0.259285
C 3.209082 -0.352460 0.819899
C 5.629192 -0.881218 0.607497
C 4.843903 1.480311 0.519307
C 2.084879 -0.041496 -0.185444
C 5.570968 -2.201888 -0.183139
C 5.797067 2.085823 -0.528590
C -0.678993 -0.125912 -0.931381
C -2.119362 -0.003751 -0.550115
C -3.070772 -0.995559 -0.587005
C -4.468572 -0.794957 -0.176700
C -4.742520 0.592684 0.296335
C -3.749391 1.545190 0.306490
H 2.997329 0.151814 1.793824
H 3.215128 -1.438504 1.020771
H 6.581409 -0.372816 0.370862
H 5.650716 -1.096868 1.705606
H 3.893669 2.046504 0.497269
H 5.269079 1.620741 1.545438
H 2.207454 -0.659952 -1.090099
H 2.085050 1.025619 -0.469111
H 4.641060 -2.764485 0.018823
H 5.616332 -1.997885 -1.266970
H 6.420887 -2.854106 0.091857
H 6.781385 1.583941 -0.532297
H 5.362118 1.987179 -1.538349
H 5.970644 3.157662 -0.318031
H -0.324305 0.812081 -1.390614
H -0.535663 -0.965779 -1.628359
H -2.790994 -1.994841 -0.931205
H -3.862754 2.582877 0.630611
H -6.170930 1.766225 1.024503


