%chk=000152495.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152495

0 1
 S   -3.366800      0.5949000      0.3077000    
 S    3.366900     -0.5946000      0.3078000    
 O   -3.706700      0.9050000       1.685600    
 O   -3.286700       1.654400     -0.6829000    
 O    3.706700     -0.9044000       1.685800    
 O    3.286800      -1.654600     -0.6825000    
 N   -4.415200     -0.6236000     -0.2656000    
 N    4.415200      0.6237000     -0.2659000    
 C   -4.563900     -0.6598000      -1.726100    
 C   -5.662500     -0.1239000     -0.8590000    
 C    4.563800      0.6595000      -1.726400    
 C    5.662500      0.1240000     -0.8590000    
 C   -1.836500     -0.2690000      0.3081000    
 C    1.836400      0.2690000      0.3079000    
 C  -0.5937000      0.3850000      0.3078000    
 C   0.5937000     -0.3851000      0.3079000    
 C   -1.907500      -1.662300      0.3082000    
 C    1.907600       1.662300      0.3082000    
 C  -0.5033000       1.786500      0.3080000    
 C   0.5033000      -1.786600      0.3079000    
 C  -0.7400000      -2.419700      0.3082000    
 C   0.7400000       2.419600      0.3081000    
 H   -4.652000      -1.670200      -2.098900    
 H   -3.953400      1.6799999E-02  -2.301300    
 H   -5.818400      0.9414000     -0.7904000    
 H   -6.502800     -0.7643000     -0.6362000    
 H    4.651800       1.669700      -2.099600    
 H    3.953300     -1.7400000E-02  -2.301300    
 H    5.818500     -0.9413000     -0.7902000    
 H    6.502700      0.7645000     -0.6366000    
 H   -2.839300      -2.215500      0.3496000    
 H    2.839300       2.215600      0.3495000    
 H   -1.365000       2.441200      0.3563000    
 H    1.365000      -2.441400      0.3561000    
 H  -0.7960000      -3.504400      0.3275000    
 H   0.7959000       3.504300      0.3276000    


%chk=000152495-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152495

0 1
S -3.455010 0.629191 -0.264308
S 3.455008 -0.629231 -0.262847
O -3.603243 1.462709 1.132625
O -3.601282 1.466056 -1.660085
O 3.603413 -1.461332 1.134886
O 3.601145 -1.467511 -1.657816
N -4.769149 -0.854001 -0.266925
N 4.769117 0.853973 -0.267046
C -6.014575 -0.388582 -1.025635
C -6.017798 -0.388706 0.486677
C 6.014056 0.388214 -1.026336
C 6.018269 0.389058 0.485974
C -1.839112 -0.351361 -0.264846
C 1.839098 0.351298 -0.264129
C -0.613437 0.392205 -0.264542
C 0.613422 -0.392271 -0.264530
C -1.909714 -1.738204 -0.265170
C 1.909692 1.738142 -0.263864
C -0.543067 1.824938 -0.264346
C 0.543045 -1.825005 -0.265009
C -0.688039 -2.478700 -0.265335
C 0.688016 2.478635 -0.264098
H -6.496214 -1.194343 -1.587846
H -5.944650 0.572552 -1.551253
H -5.950334 0.572313 1.012766
H -6.501738 -1.194592 1.046723
H 6.495324 1.193709 -1.589243
H 5.943786 -0.573183 -1.551435
H 5.951187 -0.571706 1.012570
H 6.502551 1.195223 1.045322
H -2.880199 -2.240885 -0.265407
H 2.880176 2.240827 -0.263674
H -1.464762 2.414064 -0.264658
H 1.464740 -2.414130 -0.265579
H -0.729082 -3.571942 -0.265699
H 0.729060 3.571877 -0.263981


