%chk=000018408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018408

0 1
 S   -1.553400     -0.2246000      -1.313700    
 O   -1.084500       1.615100      0.5056000    
 O    5.776200      0.5621000      0.3726000    
 O    5.385400      -1.547400     -9.2200004E-02
 N    4.984800     -0.3755000      0.1096000    
 C   0.8594000      0.4354000     -0.1008000    
 C    1.757800       1.461700      0.1901000    
 C    1.327700     -0.8598000     -0.3221000    
 C    3.593300     -0.1022000      3.8600001E-02
 C    3.124800       1.193100      0.2597000    
 C    2.694700      -1.128700     -0.2524000    
 C   -3.141800     -0.2618000     -0.5037000    
 C  -0.5658000      0.7156000     -0.1728000    
 C   -3.265000     -0.8346000      0.7616000    
 C   -4.259200      0.2821000      -1.136300    
 C   -4.507400     -0.8636000       1.395200    
 C   -5.501400      0.2531000     -0.5025000    
 C   -5.625500     -0.3198000      0.7632000    
 H    1.411300       2.477600      0.3615000    
 H   0.6616000      -1.693500     -0.5239000    
 H    3.795600       2.017500      0.4878000    
 H    3.023400      -2.150500     -0.4243000    
 H   -2.406900      -1.266900       1.270400    
 H   -4.181700      0.7331000      -2.122500    
 H   -4.604300      -1.310300       2.380500    
 H   -6.372200      0.6766000     -0.9944000    
 H   -6.592800     -0.3425000       1.256600    


%chk=000018408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018408

0 1
S -1.532447 -1.030748 -0.576969
O -1.025010 1.082665 1.127010
O 5.931092 0.898114 0.204168
O 5.710768 -0.948645 -1.117820
N 5.223000 -0.007249 -0.382118
C 0.966888 0.118707 0.140889
C 1.793664 1.091081 0.769211
C 1.557627 -0.896362 -0.658101
C 3.747043 0.037562 -0.198528
C 3.188989 1.058190 0.601937
C 2.952830 -0.943060 -0.831529
C -3.249984 -0.538052 -0.127780
C -0.512226 0.230204 0.370123
C -3.670438 -0.491298 1.220003
C -4.152332 -0.268887 -1.182236
C -5.014113 -0.165167 1.511424
C -5.497546 0.043783 -0.879869
C -5.929367 0.098221 0.465567
H 1.319323 1.863065 1.382568
H 0.933997 -1.652701 -1.144513
H 3.844989 1.795167 1.072091
H 3.432842 -1.713563 -1.439792
H -2.963195 -0.696013 2.028371
H -3.808295 -0.298164 -2.221151
H -5.342826 -0.121064 2.555235
H -6.200140 0.250068 -1.694362
H -6.971032 0.345448 0.697572


