%chk=000160936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160936

0 1
 S    4.054200      0.7842000      0.2119000    
 O   6.8999998E-02  -2.944800     -7.1500003E-02
 O   -2.065500      -2.084000       1.336800    
 O    1.257800      -1.473600      -2.115900    
 O    2.748700      0.2991000     -0.6411000    
 O   -2.043500      0.9184000       2.962800    
 O   -2.938000       2.395500     -0.9733000    
 O    4.843500       1.768800     -0.8219000    
 O    4.902800     -0.3640000      0.4704000    
 O    3.575900       1.599600       1.312900    
 N   -2.913100      0.1424000     -0.3864000    
 C  -0.4727000      -1.662500     -0.4166000    
 C   -1.146000      -1.096000      0.8501000    
 C   0.6425000     -0.7929000      -1.021100    
 C   -1.913700      0.2173000      0.6495000    
 C    1.739300     -0.4783000     -4.4000000E-03
 C   -2.628600      0.6451000       1.917500    
 C   -3.340900       1.243600      -1.111900    
 C   -4.371600      0.8821000      -2.147700    
 H   -1.227700      -1.873400      -1.183300    
 H  -0.4123000     -0.9778000       1.655200    
 H   0.2237000      0.1383000      -1.418800    
 H   -1.218000       1.024100      0.3915000    
 H    2.204400      -1.398800      0.3653000    
 H    1.345200      9.2799999E-02  0.8407000    
 H   -3.362900     -0.7543000     -0.5485000    
 H   0.4913000      -3.305900     -0.8697000    
 H   -3.731800      0.6766000       1.880400    
 H   -1.563100      -2.904800       1.477500    
 H    1.953900     -0.8923000      -2.467300    
 H   -4.765300       1.791400      -2.610000    
 H   -3.912600      0.2571000      -2.918800    
 H   -5.198000      0.3385000      -1.681100    
 H    4.964700       1.412800      -1.733300    


%chk=000160936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160936

0 1
S 4.511253 0.207160 -0.012308
O -0.062412 -2.818989 0.078554
O -2.219364 -1.775768 1.314590
O 1.237650 -1.720834 -1.988900
O 2.848579 0.178791 -0.838044
O -1.331238 1.402566 2.647831
O -2.656820 1.645339 -1.976017
O 4.373616 1.751344 0.958326
O 5.553116 0.397044 -1.213142
O 4.600550 -0.949338 1.087914
N -3.188175 0.185900 -0.252441
C -0.517533 -1.513736 -0.417853
C -1.194634 -0.856260 0.796848
C 0.676016 -0.748516 -1.038938
C -1.944586 0.451822 0.466253
C 1.738739 -0.339907 0.002784
C -2.183267 1.283944 1.740245
C -3.460673 0.801439 -1.467911
C -4.769173 0.407024 -2.136291
H -1.260513 -1.661436 -1.229681
H -0.449767 -0.649007 1.590617
H 0.314061 0.149631 -1.576981
H -1.337885 1.097149 -0.207362
H 2.068365 -1.220859 0.584375
H 1.381047 0.461639 0.673114
H -3.756248 -0.587948 0.102290
H 0.482385 -3.228765 -0.645635
H -3.173066 1.802451 1.776465
H -1.796992 -2.674046 1.366130
H 2.079958 -1.352169 -2.359426
H -5.398618 1.306122 -2.253680
H -4.557658 0.025617 -3.149889
H -5.336702 -0.353753 -1.574252
H 4.521590 2.520650 0.332315


