%chk=000052617.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052617

0 1
 S   -4.092300     -0.5805000      -2.084000    
 S    4.092300      0.5801000      -2.084100    
 N   -3.073600     -0.1176000      0.4528000    
 N    3.073800      0.1177000      0.4528000    
 C  -0.6315000     -0.3191000      0.4524000    
 C   0.6316000      0.3192000      0.4523000    
 C   -1.797000      0.4645000      0.4524000    
 C    1.797000     -0.4645000      0.4524000    
 C  -0.6921000      -1.722100      0.4523000    
 C   0.6920000       1.722300      0.4525000    
 C   -1.718400       1.857500      0.4526000    
 C    1.718300      -1.857500      0.4529000    
 C   0.4761000      -2.485000      0.4528000    
 C  -0.4762000       2.485100      0.4526000    
 C   -3.494300     -0.3091000     -0.6314000    
 C    3.494400      0.3090000     -0.6314000    
 H   -1.639900      -2.254900      0.4610000    
 H    1.639800       2.255000      0.4612000    
 H   -2.619900       2.465300      0.4561000    
 H    2.619700      -2.465300      0.4566000    
 H   0.4155000      -3.569500      0.4556000    
 H  -0.4157000       3.569600      0.4553000    


%chk=000052617-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052617

0 1
S -5.665079 -1.180626 0.129960
S 5.665067 1.180594 0.130014
N -3.077395 -0.021187 0.128924
N 3.077359 0.021219 0.129039
C -0.650977 -0.313669 0.124731
C 0.650935 0.313690 0.124730
C -1.820807 0.544018 0.125361
C 1.820772 -0.543999 0.125475
C -0.759167 -1.739911 0.124787
C 0.759125 1.739929 0.124694
C -1.684020 1.943620 0.124998
C 1.683981 -1.943597 0.125215
C 0.391000 -2.534976 0.125177
C -0.391040 2.534999 0.124972
C -4.178208 -0.514843 0.112594
C 4.178168 0.514879 0.112673
H -1.749521 -2.204611 0.124870
H 1.749479 2.204632 0.124780
H -2.581842 2.568893 0.125078
H 2.581798 -2.568877 0.125374
H 0.305175 -3.626035 0.126268
H -0.305205 3.626058 0.125987


