%chk=000031566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031566

0 1
 S   -1.510700      2.5800001E-02   1.320000    
 S    1.510200      5.1300000E-02   1.320100    
 O   2.4300000E-02  -2.357200      0.2414000    
 O  -2.5100000E-02   2.435400      0.2448000    
 O   1.2400000E-02  -1.299900      -1.796600    
 O  -1.2600000E-02   1.381000      -1.794800    
 N   -5.226400     -0.1846000     -0.2962000    
 N    5.229000     -9.2399999E-02 -0.2961000    
 C  -3.0000001E-04  3.9099999E-02  0.2424000    
 C   -2.813500     -7.6499999E-02  6.3600004E-02
 C    2.814500     -2.7400000E-02  6.3600004E-02
 C   1.1800000E-02  -1.256000     -0.5716000    
 C  -1.2300000E-02   1.335400     -0.5699000    
 C   -4.186000     -0.1017000      0.7246000    
 C    4.187300     -2.9200001E-02  0.7247000    
 C   3.8500000E-02  -3.623200     -0.4261000    
 C  -3.9600000E-02   3.702500     -0.4208000    
 C   5.0900001E-02  -4.726900      0.6099000    
 C  -5.2499998E-02   4.804500      0.6170000    
 H   -2.737000      0.7878000     -0.6044000    
 H   -2.674400     -0.9860000     -0.5298000    
 H    2.691400     -0.9388000     -0.5304000    
 H    2.723000      0.8359000     -0.6037000    
 H   -4.283200     -0.9638000       1.394000    
 H   -4.351300      0.8032000       1.319900    
 H    4.336500      0.8778000       1.321200    
 H    4.299700     -0.8903000       1.393000    
 H  -0.8550000      -3.714500      -1.053600    
 H   0.9338000      -3.694500      -1.053700    
 H   0.8539000       3.795200      -1.048200    
 H  -0.9349000       3.774500      -1.048300    
 H   -5.082600      -1.018200     -0.8651000    
 H   -5.144600      0.6067000     -0.9337000    
 H    5.133300      0.6982000     -0.9326000    
 H    5.099900     -0.9276000     -0.8661000    
 H   6.1900001E-02  -5.711000      0.1332000    
 H   0.9294000      -4.637300       1.257300    
 H  -0.8294000      -4.657000       1.257300    
 H  -6.3800000E-02   5.789300      0.1420000    
 H  -0.9311000       4.713500       1.264300    
 H   0.8278000       4.733800       1.264500    


%chk=000031566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031566

0 1
S -1.486896 0.038413 1.586172
S 1.491595 -0.061460 1.581613
O 0.415948 -2.386853 -0.026842
O -0.417100 2.351799 -0.042790
O -0.984389 -1.240154 -1.489979
O 0.978095 1.194540 -1.502466
N -5.410725 0.418570 0.157032
N 5.412249 -0.455666 0.147750
C 0.000311 -0.015988 0.386059
C -2.907177 0.550295 0.415198
C 2.908761 -0.580048 0.409766
C -0.225999 -1.253662 -0.487086
C 0.223190 1.215253 -0.497074
C -4.254302 0.036125 0.984518
C 4.258103 -0.068445 0.976131
C 0.078537 -3.656770 -0.749619
C -0.082832 3.616248 -0.776469
C 0.872503 -4.768930 -0.074388
C -0.871192 4.734026 -0.103954
H -2.886301 1.649179 0.331939
H -2.699365 0.092091 -0.567797
H 2.884657 -1.679067 0.328983
H 2.700978 -0.123343 -0.573924
H -4.222258 -1.065635 1.065566
H -4.412416 0.427083 2.007204
H 4.229059 1.033559 1.055006
H 4.416660 -0.457779 1.999370
H -1.013537 -3.808414 -0.675799
H 0.339384 -3.526555 -1.815246
H 1.009861 3.767154 -0.710838
H -0.350778 3.478877 -1.839440
H -5.426214 0.000902 -0.777766
H -5.620670 1.420444 0.142050
H 5.427296 -0.040359 -0.788097
H 5.620012 -1.458014 0.135043
H 0.647304 -5.735335 -0.561172
H 1.957944 -4.585943 -0.153674
H 0.609327 -4.846658 0.993931
H -0.648093 5.696723 -0.598973
H -1.957330 4.551749 -0.174905
H -0.600999 4.818949 0.962068


