%chk=000015900.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015900

0 1
 S    4.677800       1.225500     -2.4999999E-03
 O    3.260400      0.4119000     -6.8999999E-03
 O    4.823300       1.916500       1.263900    
 O    4.792100       1.928400      -1.266500    
 C   -4.198900     -0.3295000      2.4300000E-02
 C   -5.566600      0.3617000      6.0000001E-03
 C   -3.024200      0.6516000      2.7400000E-02
 C   -6.786300     -0.5629000      9.1499999E-02
 C   -1.657200     -4.0300000E-02  3.3100002E-02
 C   -8.121300      0.1816000      8.8000000E-03
 C  -0.4814000      0.9397000      1.1700000E-02
 C   -9.337300     -0.7507000      5.7000001E-03
 C   0.8583000      0.1961000     -1.0200000E-02
 C   -10.67190     -1.2200000E-02 -0.1038000    
 C    2.046800       1.149800     -5.5000000E-03
 C   -11.84620     -0.9764000     -2.6100000E-02
 C    5.903600     -4.4500001E-02 -5.7999999E-03
 C    6.389300     -0.5420000      -1.215200    
 C    6.386600     -0.5510000       1.201000    
 C    7.357700      -1.546000      -1.217800    
 C    7.355000      -1.554900       1.198100    
 C    7.840600      -2.052300     -1.1300000E-02
 H   -4.120900     -0.9901000     -0.8478000    
 H   -4.134100     -0.9692000      0.9130000    
 H   -5.640500      0.9597000     -0.9113000    
 H   -5.613000       1.072100      0.8413000    
 H   -3.095200       1.299000     -0.8552000    
 H   -3.100300       1.304100      0.9059000    
 H   -6.731500      -1.294500     -0.7240000    
 H   -6.743900      -1.130300       1.029100    
 H   -1.589800     -0.7033000     -0.8384000    
 H   -1.581800     -0.6778000      0.9227000    
 H   -8.138000      0.7894000     -0.9042000    
 H   -8.199400      0.8771000      0.8535000    
 H  -0.5296000       1.588200      0.8945000    
 H  -0.5566000       1.586000     -0.8709000    
 H   -9.247500      -1.456900     -0.8291000    
 H   -9.327100      -1.347300      0.9265000    
 H   0.9319000     -0.4739000      0.8556000    
 H   0.9177000     -0.4507000     -0.8945000    
 H   -10.75660      0.7228000      0.7049000    
 H   -10.71440      0.5389000      -1.050100    
 H    2.015700       1.792900     -0.8920000    
 H    2.015600       1.785200      0.8866000    
 H   -11.84860      -1.516500      0.9261000    
 H   -12.79080     -0.4297000     -0.1087000    
 H   -11.80570      -1.709700     -0.8377000    
 H    6.022300     -0.1677000      -2.166600    
 H    6.017500     -0.1851000       2.154800    
 H    7.734500      -1.934800      -2.159400    
 H    7.729700      -1.950900       2.137500    
 H    8.593900      -2.834700     -1.3300000E-02


%chk=000015900-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015900

0 1
S 4.847166 1.371787 -0.022916
O 3.290683 0.340021 0.004270
O 4.943722 2.203460 1.366373
O 4.929270 2.148560 -1.444564
C -4.244891 -0.310970 0.004216
C -5.608287 0.416524 -0.000591
C -3.038904 0.655164 -0.000587
C -6.817829 -0.545122 0.001875
C -1.673806 -0.069098 0.005806
C -8.179619 0.185742 -0.002314
C -0.474387 0.905275 -0.002348
C -9.391663 -0.772817 -0.001090
C 0.889818 0.172999 0.005544
C -10.752340 -0.038923 -0.004980
C 2.057109 1.169414 -0.007061
C -11.958375 -1.003051 -0.004474
C 6.055890 -0.062891 -0.001441
C 6.484631 -0.575719 -1.235790
C 6.492685 -0.532194 1.247317
C 7.416336 -1.638954 -1.208110
C 7.424206 -1.595944 1.250857
C 7.878974 -2.146807 0.029159
H -4.183270 -0.979461 -0.880110
H -4.184238 -0.969612 0.895967
H -5.667562 1.076744 -0.891339
H -5.669802 1.084264 0.884372
H -3.100553 1.312716 -0.892998
H -3.102644 1.324480 0.882884
H -6.757764 -1.212471 -0.883496
H -6.759586 -1.205773 0.892385
H -1.609352 -0.738862 -0.876879
H -1.609688 -0.723886 0.899686
H -8.237042 0.847197 -0.892352
H -8.239535 0.852743 0.883415
H -0.541187 1.574865 0.880007
H -0.539951 1.558052 -0.897321
H -9.334267 -1.439770 -0.887024
H -9.336559 -1.434636 0.888829
H 0.970275 -0.467866 0.904032
H 0.969302 -0.489131 -0.877472
H -10.808658 0.626970 0.880511
H -10.805936 0.622576 -0.893930
H 2.037479 1.794858 -0.921042
H 2.037017 1.818852 0.889945
H -11.943732 -1.654990 0.889565
H -12.918102 -0.454008 -0.006638
H -11.941695 -1.658467 -0.895920
H 6.118072 -0.149580 -2.174907
H 6.132422 -0.073350 2.173347
H 7.777378 -2.066224 -2.149102
H 7.791307 -1.990106 2.203884
H 8.601182 -2.970183 0.041250


