%chk=000002637.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002637

-1 1
 S  -0.5012000     -0.1318000      -2.246600    
 S    6.397600       1.613500      9.8399997E-02
 O    1.293200      -2.472100      -1.468200    
 O  -0.1701000      -3.072400       1.341400    
 O   -4.201000       1.969700     -0.2193000    
 O    3.499400     -0.5132000      -1.476000    
 O   -3.565100      -2.587600      0.9281000    
 O   -3.072200     -0.9533000       2.451200    
 O   -6.502700       1.936100     -0.2506000    
 N  -0.8674000      -1.147800      0.1757000    
 N    2.285100      -1.211800      0.3732000    
 N   -5.351100       3.893800      0.1080000    
 C    1.064800      -1.586100     -0.3543000    
 C   0.1162000     -0.3845000     -0.5672000    
 C  -4.2500000E-02  -2.129800      0.5957000    
 C   -2.176600     -0.8072000      0.2865000    
 C   -2.728500      0.1200000     -0.5298000    
 C   -1.979900      0.7801000      -1.684900    
 C   -4.166300      0.5799000     -0.4644000    
 C    3.409500     -0.7014000     -0.2638000    
 C   -3.026100      -1.523600       1.330000    
 C    1.710200      -3.785600      -1.127600    
 C    4.542100     -0.3704000      0.6874000    
 C    4.843000       1.099800      0.6001000    
 C    4.012300       2.162800      0.8786000    
 C   -5.444800       2.545100     -0.1314000    
 C    4.660400       3.415500      0.6772000    
 C    5.961900       3.262300      0.2526000    
 H   0.4140000      0.5377000     -5.2600000E-02
 H    2.317600      -1.325400       1.383400    
 H   -1.680300       1.793500      -1.396000    
 H   -2.634600      0.8616000      -2.559000    
 H   -4.660600      0.3573000      -1.418400    
 H   -4.726000      6.5800004E-02  0.3236000    
 H    2.120300      -4.255800      -2.025600    
 H   0.8546000      -4.378400     -0.7934000    
 H    2.487700      -3.777100     -0.3584000    
 H    4.282500     -0.6240000       1.721100    
 H    5.401500     -0.9907000      0.4087000    
 H    2.988100       2.052400       1.211900    
 H    4.195800       4.379900      0.8360000    
 H    6.677600       4.039800      2.5699999E-02
 H   -4.451000       4.352900      0.1989000    
 H   -6.178900       4.472700      0.2012000    


%chk=000002637-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002637

-1 1
S -1.539798 -1.577405 -2.093550
S 5.669287 1.031013 1.424113
O 1.130050 -2.982766 -1.439843
O 0.626929 -2.247307 1.803476
O -3.818716 2.432682 -0.464994
O 2.467116 0.067229 -2.677738
O -2.199165 1.078882 2.907191
O 0.059740 1.093983 2.285174
O -5.741451 1.620465 -1.586217
N -0.442951 -0.677791 0.255128
N 2.387384 -1.042159 -0.612889
N -4.779729 3.703765 -2.070113
C 1.094560 -1.738226 -0.734087
C -0.080136 -0.802280 -1.171815
C 0.429268 -1.669635 0.715668
C -1.500281 0.106270 0.770661
C -2.577363 0.322808 -0.059447
C -2.730061 -0.206283 -1.485773
C -3.727237 1.186974 0.395686
C 2.883347 -0.093311 -1.493532
C -1.200979 0.810763 2.134704
C 1.990593 -3.995834 -0.802951
C 4.016412 0.797717 -0.922166
C 4.051865 0.968426 0.580492
C 3.022437 1.161556 1.494480
C -4.858875 2.499658 -1.387900
C 3.474465 1.349343 2.854446
C 4.849800 1.315693 3.001257
H 0.196367 0.140237 -1.661639
H 2.777194 -1.009304 0.337524
H -2.647574 0.633168 -2.201039
H -3.736796 -0.644636 -1.613584
H -4.696128 0.662988 0.298639
H -3.556183 1.535766 1.426702
H 1.893306 -4.893494 -1.432556
H 1.652209 -4.209316 0.227850
H 3.046215 -3.660592 -0.788365
H 4.975596 0.385474 -1.292505
H 3.888678 1.772899 -1.429131
H 1.942978 1.159013 1.280845
H 2.766141 1.489448 3.674054
H 5.455087 1.420703 3.900389
H -4.035267 4.361367 -1.852875
H -5.469830 3.904246 -2.786668


