%chk=000068582.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068582

0 1
 S    5.492300      0.3911000     -0.6053000    
 O   -6.219600       1.126600      -1.290800    
 O    4.521100     -0.3404000      0.4935000    
 O    5.260000     -0.1816000      -1.916200    
 O    5.493100       1.822100     -0.3761000    
 C   -3.914800      0.5220000     -0.6120000    
 C   -3.388700     -0.7648000      6.3500002E-02
 C   -1.876800     -0.9373000     -0.1003000    
 C   -5.447300      0.3548000     -0.3813000    
 C   -1.155500      0.2717000      0.5678000    
 C   -3.231300       1.727200      5.7999998E-02
 C   -4.314400      -1.853400     -0.4737000    
 C   -1.694000       1.619200      1.8600000E-02
 C   -5.677100      -1.153700     -0.6579000    
 C   -1.363800      -2.233000      0.5323000    
 C   -3.627000      0.5880000      -2.141400    
 C   0.3617000      0.1114000      0.5117000    
 C   0.1151000      -2.418000      0.2065000    
 C   0.9435000      -1.168800      0.3825000    
 C   -5.883100      0.6832000      0.9904000    
 C    1.216800       1.215700      0.6758000    
 C    2.343000      -1.304200      0.3656000    
 C    2.605300       1.065900      0.6672000    
 C    3.168900     -0.1931000      0.5066000    
 C   -6.237500      0.9498000       2.106000    
 C    7.028500     -0.2556000      3.5000001E-03
 C    7.329200      0.3112000       1.383000    
 C    8.152200      4.4100001E-02 -0.9777000    
 H   -3.579100     -0.7047000       1.147000    
 H   -1.625100     -0.9725000      -1.167900    
 H   -1.403000      0.2546000       1.640700    
 H   -3.522700       1.804600       1.112000    
 H   -3.547000       2.663100     -0.4186000    
 H   -4.394600      -2.696100      0.2207000    
 H   -3.957600      -2.248200      -1.431700    
 H   -1.330000       1.777900      -1.003400    
 H   -1.301500       2.453400      0.6117000    
 H   -6.042100      -1.324500      -1.678200    
 H   -6.424800      -1.591300      1.4700000E-02
 H   -1.917800      -3.103000      0.1629000    
 H   -1.506000      -2.202600       1.620400    
 H   -2.560700      0.5537000      -2.377800    
 H   -4.097800     -0.2315000      -2.693100    
 H   -4.011600       1.523800      -2.564000    
 H   0.2130000      -2.741500     -0.8378000    
 H   0.5148000      -3.220800      0.8380000    
 H   -7.148400      0.8479000      -1.212600    
 H   0.8211000       2.215500      0.8267000    
 H    2.789800      -2.288800      0.2429000    
 H    3.224300       1.945700      0.8126000    
 H   -6.551000       1.186300       3.095800    
 H    6.905300      -1.342900      7.0299998E-02
 H    8.249200     -0.1270000       1.784700    
 H    7.464600       1.397800       1.355800    
 H    6.524600      9.4400004E-02   2.093000    
 H    9.103200     -0.3595000     -0.6146000    
 H    8.276100       1.122400      -1.126800    
 H    7.953800     -0.4040000      -1.957000    


%chk=000068582-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068582

0 1
S 5.623904 0.056537 -0.776940
O -6.240441 1.345286 -1.199007
O 4.510385 -0.352800 0.886830
O 5.468358 -1.110033 -1.901214
O 5.411796 1.607471 -1.226296
C -3.957763 0.557157 -0.583114
C -3.442045 -0.802403 -0.017059
C -1.918616 -0.960383 -0.166765
C -5.506156 0.374857 -0.352730
C -1.225731 0.198523 0.618025
C -3.281541 1.711891 0.189763
C -4.386340 -1.863315 -0.643934
C -1.733199 1.594512 0.147686
C -5.755544 -1.118727 -0.801613
C -1.385761 -2.316281 0.342861
C -3.712961 0.721938 -2.107174
C 0.302788 0.054142 0.622706
C 0.112720 -2.452625 0.007852
C 0.925669 -1.210858 0.368212
C -5.916281 0.565545 1.056669
C 1.133258 1.168855 0.932090
C 2.331225 -1.316974 0.425738
C 2.532010 1.063619 0.993608
C 3.141725 -0.199019 0.755273
C -6.336371 0.712952 2.207275
C 7.343792 -0.170496 0.204317
C 7.502775 1.054960 1.098031
C 8.423835 -0.397342 -0.852451
H -3.652838 -0.787089 1.076556
H -1.644984 -0.878475 -1.240927
H -1.558217 0.085699 1.677974
H -3.614873 1.688067 1.246469
H -3.593211 2.689100 -0.225955
H -4.475910 -2.758188 -0.003844
H -4.002955 -2.199750 -1.625964
H -1.351477 1.796177 -0.871720
H -1.318381 2.388159 0.796623
H -6.082022 -1.094925 -1.856601
H -6.556186 -1.591954 -0.207704
H -1.945621 -3.151166 -0.119144
H -1.543558 -2.385494 1.439042
H -2.637972 0.822367 -2.330771
H -4.098557 -0.129994 -2.693246
H -4.227719 1.628390 -2.465307
H 0.220251 -2.637838 -1.081401
H 0.547078 -3.336549 0.512692
H -7.189781 1.354022 -0.914053
H 0.674776 2.142825 1.127848
H 2.825451 -2.275049 0.226719
H 3.163344 1.927346 1.224223
H -6.686113 0.849398 3.214046
H 7.097710 -1.085834 0.768655
H 8.442351 0.949835 1.673740
H 7.565170 1.981054 0.500858
H 6.666453 1.145912 1.810063
H 9.373054 -0.638690 -0.337147
H 8.587802 0.506628 -1.464807
H 8.170246 -1.238673 -1.519359


