%chk=000025966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025966

0 1
 S    2.630500       2.184200      7.0600003E-02
 O    2.988200       3.764000      0.2935000    
 O    3.058600       1.479000       1.270000    
 O    3.126700       1.789400      -1.238600    
 C   -4.036400      -1.944500     -4.6000001E-03
 C   -3.480600     -0.6046000     -0.4994000    
 C   -3.512900      -3.144200     -0.7982000    
 C   -3.989100      0.5960000      0.3096000    
 C   -1.994700      -3.323700     -0.6921000    
 C   -3.413700       1.940200     -0.1873000    
 C   -1.454400      -3.566600      0.7208000    
 C   5.4299999E-02  -3.813900      0.8203000    
 C   0.9474000      -2.706400      0.2529000    
 C    2.439300      -3.041600      0.3057000    
 C   -1.897200       2.000800     -0.1222000    
 C   -4.030900       3.105400      0.5960000    
 C    3.287900      -1.867100     -0.1867000    
 C    4.780600      -2.184300     -9.9299997E-02
 C   -1.156300       2.188700      -1.289100    
 C   -1.245600       1.870000       1.104100    
 C   0.2361000       2.245500      -1.229600    
 C   0.1468000       1.926800       1.163800    
 C   0.8876000       2.114500     -3.1999999E-03
 C    5.627700      -1.007600     -0.5571000    
 H   -3.823100      -2.068700       1.062700    
 H   -5.129700      -1.924700     -9.5399998E-02
 H   -2.388700     -0.6282000     -0.4405000    
 H   -3.743600     -0.4700000      -1.555600    
 H   -4.008700      -4.052600     -0.4356000    
 H   -3.787700      -3.033200      -1.853900    
 H   -3.750000      0.4438000       1.369500    
 H   -5.084000      0.6282000      0.2404000    
 H   -1.719800      -4.186500      -1.312800    
 H   -1.495400      -2.463800      -1.148500    
 H   -3.723600       2.061700      -1.234300    
 H   -1.976600      -4.425400       1.160000    
 H   -1.688600      -2.701800       1.352200    
 H   0.3116000      -3.973900       1.874700    
 H   0.2843000      -4.752500      0.3002000    
 H   0.7568000      -1.779800      0.8084000    
 H   0.6814000      -2.510600     -0.7916000    
 H    2.720200      -3.289800       1.336500    
 H    2.639500      -3.928400     -0.3073000    
 H   -3.830300       3.032400       1.670400    
 H   -3.637100       4.066200      0.2461000    
 H   -5.118300       3.123000      0.4634000    
 H    3.067200     -0.9863000      0.4233000    
 H    3.019500      -1.622800      -1.221500    
 H    5.048500      -2.438700      0.9327000    
 H    5.011600      -3.058000     -0.7196000    
 H   -1.649500       2.293600      -2.251600    
 H   -1.803100       1.723700       2.024900    
 H   0.7914000       2.399600      -2.150400    
 H   0.6326000       1.828300       2.130300    
 H    6.691000      -1.259000     -0.4950000    
 H    5.449700     -0.1285000      7.0299998E-02
 H    5.401200     -0.7410000      -1.594400    
 H    3.949700       3.971700      0.3610000    


%chk=000025966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025966

0 1
S 2.742830 2.259591 0.008836
O 2.866504 4.099530 0.256832
O 3.293105 1.528822 1.346461
O 3.372613 1.897694 -1.438237
C -4.072748 -1.940434 0.083691
C -3.497657 -0.614147 -0.464013
C -3.616980 -3.197985 -0.700473
C -3.987676 0.619828 0.324911
C -2.086588 -3.445961 -0.715507
C -3.440116 1.976241 -0.210083
C -1.470840 -3.689738 0.682998
C 0.047237 -3.997021 0.654196
C 0.928460 -2.795787 0.236897
C 2.442044 -3.107631 0.271639
C -1.913461 2.046027 -0.152933
C -4.076076 3.170155 0.552203
C 3.323040 -1.890562 -0.088535
C 4.836614 -2.206103 -0.093062
C -1.154690 2.246532 -1.335231
C -1.224528 1.913938 1.083767
C 0.254978 2.325161 -1.301669
C 0.181775 1.986329 1.150181
C 0.877923 2.190373 -0.052469
C 5.702897 -0.963853 -0.396440
H -3.793323 -2.044326 1.151735
H -5.181201 -1.888927 0.061210
H -2.391227 -0.647949 -0.436873
H -3.781421 -0.506195 -1.532483
H -4.118929 -4.087871 -0.267313
H -3.976940 -3.114507 -1.747134
H -3.711560 0.506619 1.394185
H -5.095660 0.661585 0.296182
H -1.877851 -4.332189 -1.349982
H -1.577754 -2.593757 -1.206699
H -3.739522 2.056281 -1.275350
H -2.008549 -4.534723 1.162006
H -1.641016 -2.804820 1.330407
H 0.368593 -4.335108 1.661114
H 0.236522 -4.847847 -0.034089
H 0.717703 -1.939610 0.913290
H 0.655045 -2.460321 -0.784125
H 2.717366 -3.471474 1.284237
H 2.659700 -3.942691 -0.427707
H -3.829721 3.132446 1.629693
H -3.717360 4.137713 0.157856
H -5.177082 3.144216 0.457174
H 3.131301 -1.067615 0.630423
H 3.031222 -1.504108 -1.087799
H 5.122813 -2.625316 0.893902
H 5.043166 -3.000321 -0.840516
H -1.671635 2.344054 -2.296581
H -1.789347 1.751990 2.008275
H 0.847301 2.467616 -2.210778
H 0.721742 1.875142 2.095614
H 6.780199 -1.214698 -0.409684
H 5.538244 -0.179294 0.365010
H 5.438642 -0.526596 -1.377384
H 3.840181 4.329597 0.307120


