%chk=000159237.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159237

0 1
 S    3.432700      -1.097500       1.199900    
 O   -3.506300      0.8978000     -0.3415000    
 O   -3.528000      -1.871000     -0.1038000    
 N    1.352200       2.041600     -0.4422000    
 C    1.944700       1.278700      0.6939000    
 C   0.8818000       1.100000       1.786100    
 C    2.467000     -7.3600002E-02  0.2419000    
 C    2.231700     -0.6089000      -1.010100    
 C  -0.2928000      0.3124000       1.282300    
 C    1.096500       1.406100      -1.655400    
 C    1.484400      0.1545000      -1.959400    
 C   0.9931000       3.434100     -0.2147000    
 C    2.813000      -1.891600      -1.175500    
 C   -1.365600      0.9758000      0.6985000    
 C  -0.2959000      -1.072100       1.405200    
 C    3.496400      -2.282000     -4.1800000E-02
 C   -2.457300      0.2441000      0.2309000    
 C   -1.387400      -1.803700      0.9377000    
 C   -2.468100      -1.145700      0.3503000    
 C   -3.416900       2.318900     -0.4252000    
 C   -3.475100      -2.318100      -1.457100    
 H    2.786200       1.859100       1.094400    
 H   0.5360000       2.070300       2.164000    
 H    1.309400      0.5963000       2.663300    
 H   0.5580000       2.020400      -2.368400    
 H    1.256300     -0.2679000      -2.932400    
 H    1.548800       4.075600     -0.9074000    
 H    1.238400       3.766300      0.7989000    
 H  -7.4199997E-02   3.601700     -0.3855000    
 H    2.752100      -2.498400      -2.070000    
 H   -1.324800       2.056300      0.6631000    
 H   0.5186000      -1.602600       1.886900    
 H    4.038700      -3.203600      0.1158000    
 H   -1.392300      -2.885500       1.040300    
 H   -2.579400       2.634600      -1.056900    
 H   -3.389600       2.781000      0.5675000    
 H   -4.331800       2.670500     -0.9133000    
 H   -3.413200      -1.466800      -2.142300    
 H   -4.392500      -2.873200      -1.670800    
 H   -2.619500      -2.984200      -1.607400    


%chk=000159237-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159237

0 1
S 3.696778 -0.970924 1.445720
O -3.726389 0.688166 -0.341446
O -3.542035 -2.141146 -0.157497
N 1.606428 2.019669 -0.515976
C 2.020293 1.302938 0.724299
C 0.834317 1.109310 1.761218
C 2.683106 0.008314 0.319259
C 2.529458 -0.615472 -0.918907
C -0.326271 0.269580 1.264600
C 1.378713 1.359000 -1.724116
C 1.787543 0.068343 -1.970004
C 1.272629 3.437931 -0.366892
C 3.218870 -1.890244 -0.990935
C -1.467625 0.891327 0.694796
C -0.293567 -1.143589 1.341737
C 3.886334 -2.230868 0.169451
C -2.548774 0.129314 0.197081
C -1.362339 -1.910733 0.831899
C -2.490141 -1.297400 0.248828
C -3.849610 2.145286 -0.325881
C -4.045277 -1.978404 -1.536508
H 2.752618 1.960321 1.248554
H 0.483903 2.116321 2.062180
H 1.288923 0.649113 2.659745
H 0.876835 1.957757 -2.491223
H 1.594072 -0.404033 -2.934620
H 1.238001 3.923114 -1.357005
H 2.050407 3.948060 0.234639
H 0.295286 3.604039 0.135112
H 3.217248 -2.521352 -1.883826
H -1.508576 1.985710 0.656583
H 0.572491 -1.645049 1.786201
H 4.484972 -3.112892 0.389215
H -1.350746 -3.004308 0.877760
H -3.069161 2.625959 -0.948798
H -3.795572 2.541971 0.706707
H -4.842499 2.354760 -0.751174
H -4.485426 -0.978141 -1.681604
H -4.811680 -2.760230 -1.652815
H -3.228236 -2.141816 -2.266557


