%chk=000004293.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004293

0 1
 S   -2.219000       1.763100      0.3079000    
 S   0.5468000       1.009400      0.8771000    
 S    3.344000      0.3571000      0.3365000    
 S   -1.361900      -2.519400       1.278900    
 O   -2.014600       2.647300       1.438700    
 O   -2.954000       2.196000     -0.8645000    
 O    4.356200      0.7845000     -0.6135000    
 O    3.410800      0.7891000       1.721900    
 N   -2.873200      0.2787000      0.8615000    
 N    3.217000      -1.344000      0.2903000    
 C  -0.5798000       1.413000     -0.3276000    
 C   -3.027900     -0.8173000     -0.1143000    
 C    1.772400      0.8161000     -0.3029000    
 C  -7.4199997E-02   1.409400      -1.583500    
 C    1.307000       1.059600      -1.576300    
 C   -1.824300      -1.714400     -0.1470000    
 C   -1.013200      -1.984900      -1.209700    
 C   2.9700000E-02  -2.886400     -0.8491000    
 C  -4.1700002E-02  -3.256900      0.4756000    
 H   -3.245500     -0.4187000      -1.111100    
 H   -3.909500      -1.401500      0.1764000    
 H   -2.625900     -2.3900000E-02   1.812600    
 H  -0.6418000       1.638800      -2.475600    
 H    1.924900      0.9893000      -2.462000    
 H   -1.147200      -1.570700      -2.200600    
 H   0.7941000      -3.243700      -1.526700    
 H    4.088400      -1.873500      0.1609000    
 H    2.584400      -1.784200      0.9707000    
 H   0.6192000      -3.924200       1.010400    


%chk=000004293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004293

0 1
S -2.371509 1.798487 0.218415
S 0.626247 0.940003 1.085371
S 3.601510 0.387136 0.114002
S -2.126357 -3.080442 1.199758
O -2.455855 2.714347 1.550592
O -2.967033 2.210702 -1.234332
O 4.494524 0.956822 -1.119879
O 3.898390 0.692556 1.681727
N -3.226179 0.250006 0.671315
N 3.550717 -1.445252 -0.116768
C -0.554124 1.461890 -0.161221
C -3.205307 -0.875676 -0.306202
C 1.851939 0.893388 -0.222392
C -0.016265 1.614309 -1.427996
C 1.384423 1.282815 -1.463747
C -2.068300 -1.851131 -0.136564
C -0.869713 -1.948373 -0.829205
C 0.023760 -2.964714 -0.328442
C -0.488002 -3.660211 0.754320
H -3.187131 -0.426938 -1.316823
H -4.187670 -1.373982 -0.207513
H -3.000971 0.021856 1.654066
H -0.606422 1.954138 -2.281904
H 2.020642 1.341956 -2.349569
H -0.628659 -1.307119 -1.680728
H 1.014927 -3.150859 -0.748191
H 4.308661 -1.686902 -0.779096
H 3.668855 -1.887020 0.811354
H -0.043899 -4.474091 1.324650


