%chk=000086461.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086461

0 1
 S    1.026800       1.957600     -0.4813000    
 O    1.168300      -1.456100      2.4499999E-02
 O    1.285200       2.080500      -1.908900    
 O    1.138300       3.129100      0.3769000    
 O    2.467900     -0.7751000      -1.759800    
 O   -5.015400     -0.2148000       1.268900    
 O   -4.866400      -1.124600     -0.7235000    
 N   -4.387700     -0.4266000      0.2031000    
 C    2.142900      0.7248000      0.1658000    
 C    2.092400      0.5618000       1.699100    
 C    3.596800       1.210600      0.3421000    
 C    3.626300      0.4020000       1.656000    
 C    1.963500     -0.5864000     -0.6612000    
 C  -0.5603000       1.258100     -0.2803000    
 C   -1.276500       1.479600      0.8961000    
 C   -1.112600      0.4782000      -1.296500    
 C    1.423500      -2.843400     -0.2166000    
 C   -2.544600      0.9212000       1.056400    
 C   -2.380700     -8.0100000E-02  -1.136300    
 C    2.867100      -3.157300      0.1463000    
 C   0.4419000      -3.680800      0.5890000    
 C   -3.096700      0.1415000      4.0300000E-02
 H    1.555200     -0.2942000       2.115900    
 H    1.775100       1.450500       2.258100    
 H    3.717300       2.290100      0.4903000    
 H    4.315300      0.8850000     -0.4155000    
 H    4.173900      0.8615000       2.482800    
 H    3.969300     -0.6308000       1.535300    
 H  -0.8634000       2.079400       1.702100    
 H  -0.5728000      0.2891000      -2.220100    
 H    1.254000      -3.051900      -1.280300    
 H   -3.072800       1.113800       1.986700    
 H   -2.778700     -0.6832000      -1.948300    
 H    3.068600      -4.228400      3.9299998E-02
 H    3.587600      -2.627300     -0.4830000    
 H    3.078000      -2.873100       1.183000    
 H   0.5920000      -4.750500      0.4154000    
 H  -0.5882000      -3.422700      0.3197000    
 H   0.5454000      -3.479500       1.660900    


%chk=000086461-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086461

0 1
S 0.949936 1.948622 0.467830
O 1.520962 -1.486872 0.845024
O 1.209252 3.079013 -0.688132
O 0.775355 2.380412 2.038600
O 1.969392 -0.980564 -1.399075
O -5.047697 -1.259667 -0.075021
O -4.559366 -1.000285 -2.288240
N -4.287883 -0.856342 -1.036160
C 2.589105 0.589214 0.368512
C 3.319367 0.713350 1.719653
C 3.698131 1.350124 -0.379404
C 4.411661 1.590364 1.002708
C 2.014207 -0.685181 -0.177425
C -0.645010 1.040688 -0.006731
C -1.484416 0.615713 1.036314
C -0.947140 0.892674 -1.371133
C 0.922595 -2.823032 0.445124
C -2.699438 -0.012083 0.693289
C -2.160571 0.259961 -1.713630
C 2.064437 -3.821558 0.211483
C -0.015818 -3.201020 1.591288
C -3.007790 -0.183930 -0.674479
H 3.671244 -0.260149 2.100904
H 2.738076 1.218496 2.512053
H 3.358633 2.255060 -0.914751
H 4.245631 0.705386 -1.087696
H 4.404467 2.644598 1.322537
H 5.437276 1.195221 1.068108
H -1.200008 0.797405 2.077569
H -0.266890 1.272666 -2.138753
H 0.369157 -2.650390 -0.497157
H -3.403625 -0.360173 1.453145
H -2.455641 0.109452 -2.754928
H 1.644386 -4.807691 -0.057747
H 2.716730 -3.491864 -0.614131
H 2.669300 -3.941806 1.127510
H -0.511744 -4.161981 1.365060
H -0.795178 -2.433520 1.734507
H 0.544716 -3.312710 2.535776


