%chk=000080128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080128

0 1
 S  -0.2172000       1.893900       1.976200    
 S  -0.7278000       3.241400      -1.212400    
 P   2.6000001E-02   1.789700     -0.1333000    
 O  -0.5894000      0.3615000     -0.6280000    
 O    1.608200       1.534300     -0.4504000    
 C   -1.987300      0.1062000     -0.5426000    
 C    2.302100      0.4632000      0.1805000    
 C   -2.285500      -1.296800      -1.069900    
 C   -2.451900      0.2745000      0.9033000    
 C    1.639100     -0.8639000     -0.1861000    
 C    3.772800      0.4907000     -0.2329000    
 C   -3.759200      -1.655300     -0.9089000    
 C   -3.925700     -8.3800003E-02   1.064300    
 C    2.405300      -2.051400      0.3875000    
 C    4.539200     -0.6966000      0.3407000    
 C   -4.224400      -1.484700      0.5354000    
 C    3.875600      -2.022800     -2.3600001E-02
 H   -2.514400      0.8231000      -1.182400    
 H    2.258100      0.6079000       1.265400    
 H   -1.663000      -2.029500     -0.5401000    
 H   -1.992500      -1.366400      -2.124300    
 H   -2.436500       1.327400       1.176000    
 H   -1.846100     -0.3255000       1.590300    
 H    1.513300     -0.9648000      -1.270100    
 H   0.6701000     -0.9657000      0.3003000    
 H    4.232600       1.430800      9.4899997E-02
 H    3.847100      0.4899000      -1.328100    
 H   -3.924500      -2.689900      -1.229800    
 H   -4.363600      -1.016600      -1.564500    
 H   -4.542700      0.6439000      0.5219000    
 H   -4.210800     -1.8100001E-02   2.120600    
 H    1.945500      -2.987500      5.0999999E-02
 H    2.337600      -2.038600       1.482800    
 H    4.592600     -0.6035000       1.432400    
 H    5.569700     -0.6854000     -3.1599998E-02
 H   -5.300200      -1.682300      0.6019000    
 H   -3.723100      -2.226800       1.169100    
 H    4.410000      -2.847700      0.4608000    
 H    3.953200      -2.183000      -1.106000    
 H   0.4654000       3.030100       2.178700    


%chk=000080128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080128

0 1
S 0.357911 2.030498 2.235988
S -0.828116 3.126635 -1.164536
P 0.030139 1.637512 -0.035785
O -0.798940 0.119074 0.111988
O 1.576010 1.168968 -0.632608
C -2.272155 0.040295 -0.168537
C 2.431448 0.144755 0.065370
C -2.524295 -1.400723 -0.634749
C -3.081893 0.397619 1.088026
C 2.103155 -1.269849 -0.440770
C 3.880045 0.551710 -0.241379
C -4.037116 -1.615940 -0.898488
C -4.594833 0.183978 0.822572
C 3.086615 -2.292372 0.185957
C 4.867154 -0.474935 0.372398
C -4.883189 -1.260308 0.347362
C 4.557456 -1.913541 -0.107201
H -2.503847 0.755914 -0.985048
H 2.236097 0.217337 1.156566
H -2.178870 -2.095132 0.156054
H -1.931496 -1.607809 -1.544426
H -2.886120 1.444892 1.385279
H -2.750798 -0.252551 1.921438
H 2.203444 -1.282153 -1.543767
H 1.057435 -1.524368 -0.195077
H 4.073634 1.567448 0.148815
H 4.008357 0.588539 -1.340546
H -4.212277 -2.666504 -1.198449
H -4.356274 -0.982643 -1.751608
H -4.937773 0.900612 0.048093
H -5.166575 0.412061 1.741823
H 2.862699 -3.304267 -0.201746
H 2.930060 -2.330378 1.284081
H 4.799320 -0.435646 1.479232
H 5.903468 -0.192454 0.106629
H -5.960228 -1.379028 0.121761
H -4.644473 -1.969663 1.166408
H 5.242259 -2.632648 0.381951
H 4.741845 -1.982904 -1.198946
H 0.878417 3.299865 2.024878


