%chk=000161337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161337

0 1
 S   -1.316300      -4.006800      0.4873000    
 O    3.747300      0.6556000      0.9028000    
 O    2.954200      -1.519800      -1.846600    
 O    5.363200      -1.455600     -0.5903000    
 O    5.119400       3.096800      0.7599000    
 N    1.476600      0.2443000      0.3507000    
 N  -0.2210000       1.679800      0.5394000    
 N   0.2528000      -1.853700      0.4044000    
 N   -3.096200      0.7163000      0.7683000    
 N   -2.148000      -1.476100      0.6270000    
 C    3.342800     -0.3147000      -1.219400    
 C    2.849300     -0.2383000      0.2175000    
 C    4.842500     -0.2009000      -1.029500    
 C    4.950300      0.8035000      0.1136000    
 C    5.033700       2.244800     -0.3689000    
 C   0.3430000     -0.5156000      0.4313000    
 C    1.084500       1.556100      0.4208000    
 C  -0.6971000      0.3927000      0.5472000    
 C   -1.981800     -0.1316000      0.6471000    
 C   -1.036800      -2.242300      0.5086000    
 C   -4.440100      0.2306000      0.8745000    
 C   -5.381100       1.326500      0.4805000    
 C   -5.851200       1.606800     -0.7501000    
 C   -2.965800      -4.105700     -0.2612000    
 C   -6.797700       2.726200      -1.079500    
 C   -5.426600      0.7813000      -1.935600    
 H    2.969000      0.5268000      -1.814100    
 H    2.894200      -1.209700      0.7251000    
 H    5.375800      8.2500003E-02  -1.941200    
 H    5.791300      0.5854000      0.7815000    
 H    4.148600       2.539600     -0.9413000    
 H    5.921800       2.402400     -0.9879000    
 H    3.334400      -2.258200      -1.340900    
 H    6.315400      -1.335400     -0.4337000    
 H    1.786100       2.377900      0.3759000    
 H    4.326800       2.945000       1.302800    
 H   -2.913000       1.712800      0.8220000    
 H   -4.609100     -0.6622000      0.2623000    
 H   -4.648600     -6.6399999E-02   1.909000    
 H   -5.712800       1.960700       1.301800    
 H   -3.221800      -5.156400     -0.4219000    
 H   -2.980500      -3.593000      -1.226900    
 H   -3.717600      -3.665500      0.3995000    
 H   -7.712900       2.330800      -1.531400    
 H   -7.082500       3.289200     -0.1846000    
 H   -6.333400       3.426100      -1.781500    
 H   -5.092200       1.439300      -2.745700    
 H   -4.600500      9.4700001E-02  -1.738800    
 H   -6.274100      0.1936000      -2.303700    


%chk=000161337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161337

0 1
S -1.119387 -3.848567 1.175009
O 3.617035 0.679949 0.903603
O 3.814719 -1.278652 -2.232269
O 5.632637 -1.546790 -0.325559
O 5.041412 2.943387 1.686226
N 1.643542 0.230584 -0.365088
N -0.117623 1.559306 -1.000481
N 0.381753 -1.770979 0.392045
N -3.007788 0.499595 -0.772853
N -2.044073 -1.485345 0.120933
C 3.962342 -0.176951 -1.315317
C 2.990066 -0.222883 -0.097931
C 5.347120 -0.131478 -0.615804
C 5.097387 0.703361 0.659653
C 5.496141 2.182423 0.527435
C 0.479835 -0.515525 -0.117479
C 1.217334 1.468532 -0.891111
C -0.590080 0.320234 -0.524638
C -1.906754 -0.219117 -0.394867
C -0.921442 -2.173687 0.482270
C -4.400169 0.015473 -0.679185
C -5.300601 1.064414 -0.061930
C -6.414421 1.629619 -0.613227
C -2.989112 -4.024951 1.151812
C -7.219468 2.661397 0.160510
C -6.967505 1.301174 -1.989617
H 3.791734 0.742328 -1.900785
H 2.913046 -1.251421 0.303018
H 6.133822 0.302171 -1.263264
H 5.584666 0.254197 1.545671
H 5.081347 2.602787 -0.416346
H 6.595031 2.290141 0.512072
H 4.276786 -2.059958 -1.821971
H 6.543134 -1.658257 0.039804
H 1.915178 2.262185 -1.145540
H 4.086258 2.712571 1.833856
H -2.837967 1.437793 -1.143094
H -4.760789 -0.290481 -1.679726
H -4.363681 -0.896388 -0.055745
H -4.997874 1.384100 0.946149
H -3.191909 -5.034067 1.544853
H -3.361249 -3.923240 0.122922
H -3.445836 -3.257681 1.792542
H -8.265178 2.322970 0.302084
H -6.786010 2.860718 1.155441
H -7.270106 3.619678 -0.393595
H -7.135040 2.229857 -2.569358
H -6.310939 0.643653 -2.582220
H -7.953023 0.802017 -1.902809


