%chk=000083871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083871

0 1
 S   -2.905000       1.941000       1.002500    
 O   -3.446600      -2.793800      0.7865000    
 O    5.547200     -0.4325000     -0.8093000    
 O    4.782800      5.5999998E-03   1.322400    
 N   -2.055500      -1.095600     -3.1599998E-02
 N   -4.279300     -0.9067000     -0.3238000    
 C   -2.209400      0.1323000     -0.7884000    
 C   -3.739700      0.3006000     -0.9182000    
 C   -1.603200       1.369700     -0.1208000    
 C   -4.215700       1.548400     -0.1777000    
 C  -0.2833000       1.149600      0.5997000    
 C   0.8080000      0.6780000     -0.3614000    
 C   -3.280700      -1.724800      0.2150000    
 C    2.146300      0.5017000      0.3626000    
 C    3.267000      6.2600002E-02 -0.5795000    
 C    4.594800     -0.1252000      0.1207000    
 C    6.872300     -0.6107000     -0.2988000    
 H   -1.750600     -4.4500001E-02  -1.768000    
 H   -4.067000      0.3216000      -1.963000    
 H   -1.478700       2.156100     -0.8756000    
 H   -4.302700       2.390800     -0.8714000    
 H   -5.175900       1.413700      0.3287000    
 H  -0.3906000      0.4254000       1.417300    
 H   3.9400000E-02   2.091800       1.062400    
 H   -1.161700      -1.508100      0.2163000    
 H   -5.267000      -1.140700     -0.3082000    
 H   0.5325000     -0.2731000     -0.8292000    
 H   0.9265000       1.410900      -1.169000    
 H    2.429600       1.444700      0.8472000    
 H    2.032900     -0.2386000       1.164700    
 H    2.997900     -0.8892000      -1.051400    
 H    3.399600      0.8196000      -1.361000    
 H    7.530600     -0.8503000      -1.138200    
 H    6.895300      -1.440900      0.4135000    
 H    7.224400      0.3125000      0.1712000    


%chk=000083871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083871

0 1
S -2.953214 1.879507 1.188758
O -3.548848 -2.894647 0.736356
O 5.601799 -0.650087 -0.728115
O 5.007227 0.630720 1.124067
N -2.155611 -1.166035 -0.128749
N -4.364685 -0.924591 -0.326814
C -2.275526 0.115768 -0.826084
C -3.851401 0.314625 -0.916744
C -1.641130 1.326830 -0.077669
C -4.257047 1.600712 -0.143450
C -0.293520 1.055001 0.610030
C 0.841485 0.686101 -0.377634
C -3.376603 -1.785272 0.165950
C 2.196889 0.511042 0.341692
C 3.328165 0.112907 -0.627183
C 4.692229 0.080742 0.044642
C 6.986530 -0.715766 -0.198070
H -1.830250 0.056759 -1.840101
H -4.175234 0.412114 -1.972001
H -1.536832 2.160436 -0.800973
H -4.271402 2.474450 -0.818944
H -5.239500 1.495290 0.343340
H -0.426114 0.251354 1.360138
H 0.006760 1.960786 1.172290
H -1.275739 -1.628679 0.079494
H -5.350855 -1.140855 -0.210279
H 0.590221 -0.246962 -0.924614
H 0.933473 1.480884 -1.147266
H 2.474287 1.449814 0.856595
H 2.103162 -0.256786 1.134417
H 3.142139 -0.871155 -1.095097
H 3.389872 0.840853 -1.462468
H 7.540980 -1.312591 -0.935507
H 6.993202 -1.200166 0.792724
H 7.409593 0.298799 -0.106531


