%chk=000152190.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152190

0 1
 S   0.6982000       1.872200      0.1087000    
 O    1.582400       2.773700     -0.6204000    
 O   0.3026000       2.223000       1.467200    
 N  -0.7082000       1.609900     -0.8516000    
 N   -1.635900     -0.4984000      -1.359800    
 N   -2.238000      0.6547000      0.6687000    
 C    1.448800      0.2961000      0.1343000    
 C    2.374700     -5.1300000E-02 -0.8493000    
 C    1.121700     -0.6161000       1.137500    
 C   -1.579800      0.5237000     -0.4929000    
 C    2.973500      -1.311000     -0.8298000    
 C    1.720500      -1.875800       1.157100    
 C    2.646300      -2.223200      0.1733000    
 C   -2.462100      -1.499700     -0.9919000    
 C   -3.045600     -0.3818000      0.9742000    
 C   -3.199100      -1.496000      0.1745000    
 H  -0.5607000       1.685500      -1.866500    
 H    2.639000      0.6396000      -1.644700    
 H   0.4029000     -0.3682000       1.913400    
 H    3.692900      -1.582500      -1.596900    
 H    1.465200      -2.586400       1.937700    
 H    3.111900      -3.204300      0.1880000    
 H   -2.516500      -2.333500      -1.683600    
 H   -3.583700     -0.2894000       1.911600    
 H   -3.853800      -2.313400      0.4450000    


%chk=000152190-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152190

0 1
S 0.654388 1.608569 -0.165160
O 1.431707 2.564783 -1.225683
O 0.067291 2.195760 1.222264
N -0.708520 0.963379 -1.247460
N -2.896827 0.249046 -1.625022
N -1.683288 -0.431083 0.397512
C 1.728950 0.096607 0.182785
C 2.797865 -0.132547 -0.697584
C 1.450196 -0.675102 1.320125
C -1.801819 0.240783 -0.793188
C 3.642011 -1.231709 -0.415648
C 2.311048 -1.765847 1.582707
C 3.396636 -2.042829 0.717677
C -3.955321 -0.504879 -1.218458
C -2.774902 -1.152517 0.777354
C -3.950603 -1.230447 -0.003688
H -0.826146 1.538547 -2.091184
H 2.970453 0.532019 -1.550031
H 0.594231 -0.435809 1.956452
H 4.488497 -1.446241 -1.075848
H 2.131923 -2.395198 2.460367
H 4.057696 -2.889973 0.930438
H -4.824070 -0.508792 -1.885823
H -2.691066 -1.680920 1.733398
H -4.813128 -1.818201 0.317498


