%chk=000025456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025456

0 1
 S    6.640700      -1.500200     -1.3000000E-03
 O    6.197300      -2.501700       1.212600    
 O    6.288600      -2.163100      -1.248400    
 O    8.006600      -1.066000      0.2479000    
 C   -3.991200     -0.1887000      9.4700001E-02
 C   -2.813000      0.3194000     -0.7433000    
 C   -5.356100      9.3000002E-02 -0.5379000    
 C   -1.424300      0.1487000     -0.1147000    
 C   -6.529100     -0.3488000      0.3451000    
 C  -0.2533000      0.7173000     -0.9225000    
 C   -7.894000     -8.3999999E-02 -0.2987000    
 C    1.101500      0.5742000     -0.2210000    
 C   -9.073900     -0.4648000      0.6000000    
 C    2.260300       1.137000      -1.054000    
 C   -10.43460     -0.2257000     -5.5500001E-02
 C    3.590800       1.081500     -0.3434000    
 C   -11.57320     -0.6283000      0.8693000    
 C    4.390000     -4.1900001E-02 -0.4865000    
 C    3.990400       2.154400      0.4378000    
 C    5.620500     -9.3699999E-02  0.1687000    
 C    5.220600       2.102700       1.092900    
 C    6.035700      0.9788000      0.9583000    
 H   -3.879200      -1.267700      0.2558000    
 H   -3.951200      0.2845000       1.083600    
 H   -2.824000     -0.1893000      -1.715400    
 H   -2.966700       1.385900     -0.9514000    
 H   -5.446300       1.167300     -0.7404000    
 H   -5.416700     -0.4190000      -1.506000    
 H   -1.248400     -0.9200000      6.1000001E-02
 H   -1.431400      0.6267000      0.8731000    
 H   -6.474300      0.1787000       1.305200    
 H   -6.435400      -1.419500      0.5640000    
 H  -0.4419000       1.778800      -1.124700    
 H  -0.2134000      0.2120000      -1.895200    
 H   -7.961000     -0.6436000      -1.239900    
 H   -7.970800      0.9796000     -0.5566000    
 H    1.059700       1.089900      0.7468000    
 H    1.288300     -0.4846000     -1.9000000E-03
 H   -9.014200      0.1099000       1.532700    
 H   -8.986200      -1.523500      0.8746000    
 H    2.044800       2.177600      -1.330300    
 H    2.330500      0.5921000      -2.004500    
 H   -10.53860      0.8331000     -0.3186000    
 H   -10.50450     -0.8005000     -0.9860000    
 H   -12.53720     -0.4494000      0.3829000    
 H   -11.51390      -1.690900       1.125300    
 H   -11.54830     -4.8700001E-02   1.797600    
 H    4.050600     -0.8738000      -1.097300    
 H    3.361500       3.032900      0.5504000    
 H    5.542800       2.936600       1.709600    
 H    6.986000      0.9582000       1.484200    
 H    5.261200      -2.810700       1.185000    


%chk=000025456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025456

0 1
S 6.448226 -1.838140 -0.044363
O 5.666076 -2.654046 1.433953
O 5.959305 -2.620020 -1.374347
O 8.026383 -1.644227 0.257347
C -3.997085 0.121700 0.193276
C -2.825520 0.605668 -0.690655
C -5.373330 0.231431 -0.500878
C -1.448193 0.484947 -0.000197
C -6.546464 -0.244767 0.385240
C -0.279073 0.976259 -0.883409
C -7.922029 -0.141226 -0.311488
C 1.097876 0.832798 -0.198931
C -9.096737 -0.608578 0.577300
C 2.265821 1.336180 -1.094602
C -10.471776 -0.509300 -0.122071
C 3.621123 1.159496 -0.431872
C -11.640334 -0.970221 0.775914
C 4.310205 -0.077013 -0.530955
C 4.211501 2.197648 0.336580
C 5.537204 -0.209794 0.132610
C 5.454301 2.026484 0.987944
C 6.146635 0.797818 0.895347
H -3.820121 -0.933286 0.490415
H -4.013560 0.710377 1.134481
H -2.813936 0.021692 -1.634766
H -2.999232 1.662985 -0.981632
H -5.548265 1.285229 -0.803867
H -5.358625 -0.362442 -1.438873
H -1.272912 -0.573612 0.283982
H -1.460907 1.062901 0.947413
H -6.564254 0.352305 1.321194
H -6.369884 -1.297031 0.692346
H -0.447098 2.039175 -1.156850
H -0.275221 0.406843 -1.836423
H -7.906390 -0.743666 -1.244079
H -8.096045 0.909849 -0.624473
H 1.102664 1.395114 0.756590
H 1.274073 -0.229709 0.063915
H -9.116292 -0.003729 1.508306
H -8.923194 -1.658644 0.893794
H 2.097438 2.404235 -1.332847
H 2.237752 0.783362 -2.053712
H -10.641913 0.538835 -0.443252
H -10.453446 -1.118468 -1.048972
H -12.610746 -0.893411 0.251583
H -11.507628 -2.023221 1.088999
H -11.701716 -0.354079 1.692985
H 3.908176 -0.904598 -1.125801
H 3.690915 3.159488 0.415921
H 5.888897 2.847475 1.567241
H 7.116746 0.635967 1.374535
H 6.062714 -3.570332 1.513806


