%chk=000173922.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173922

0 1
 S   -6.247300     -0.8086000     -0.4483000    
 O   -6.739000      -1.719900      0.8154000    
 O   -7.124200      0.3501000     -0.5062000    
 O   -6.086300      -1.679400      -1.600700    
 C    3.550900       3.512500     -0.5337000    
 C    4.572600       2.647500      0.2120000    
 C    2.229600       2.822400     -0.8950000    
 C    1.380600       2.348200      0.2888000    
 C    4.937500       1.358900     -0.5288000    
 C   4.5299999E-02   1.722000     -0.1269000    
 C    5.899600      0.4643000      0.2617000    
 C  -0.7809000       1.241700       1.073100    
 C    6.279100     -0.8156000     -0.4901000    
 C   -2.135900      0.6990000      0.6886000    
 C    7.190700      -1.745800      0.3152000    
 C   -2.299600     -0.6468000      0.3963000    
 C    7.590700      -3.009100     -0.4479000    
 C   -3.562500      -1.123400      4.4799998E-02
 C   -3.206900       1.579300      0.6372000    
 C   -4.647500     -0.2487000     -1.0600000E-02
 C   -4.469800       1.102700      0.2856000    
 C   -1.134000      -1.582900      0.4584000    
 C    8.503200      -3.894700      0.3868000    
 C   -3.745700      -2.573500     -0.2756000    
 H    4.011900       3.876000      -1.460600    
 H    3.335700       4.400500      7.3100001E-02
 H    5.481100       3.239600      0.3767000    
 H    4.180500       2.399300       1.205400    
 H    1.633100       3.541400      -1.472200    
 H    2.414000       1.984200      -1.576100    
 H    1.189100       3.198000      0.9552000    
 H    1.947400       1.610700      0.8689000    
 H    5.385000       1.612300      -1.497500    
 H    4.035200      0.7733000     -0.7354000    
 H  -0.5322000       2.461600     -0.6963000    
 H   0.2345000      0.8869000     -0.8118000    
 H    5.436200      0.1968000       1.219400    
 H    6.810600       1.028700      0.4952000    
 H  -0.2177000      0.5269000       1.684000    
 H  -0.9336000       2.094100       1.750600    
 H    6.777200     -0.5451000      -1.429300    
 H    5.365500      -1.359100     -0.7613000    
 H    8.095600      -1.196500      0.6041000    
 H    6.682200      -2.029100       1.245200    
 H    8.104000      -2.734900      -1.376600    
 H    6.693600      -3.573900     -0.7266000    
 H   -3.080500       2.634300      0.8636000    
 H   -5.292600       1.810500      0.2540000    
 H   -1.152400      -2.296700     -0.3727000    
 H  -0.1621000      -1.095800      0.3564000    
 H   -1.141300      -2.131600       1.405800    
 H    8.777500      -4.792500     -0.1758000    
 H    9.424200      -3.367200      0.6548000    
 H    8.006500      -4.210600       1.309700    
 H   -3.647400      -2.741600      -1.352700    
 H   -3.017000      -3.211000      0.2349000    
 H   -4.700900      -2.972700      7.2499998E-02
 H   -6.809400      -1.245600       1.677000    


%chk=000173922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173922

0 1
S -6.646336 -0.418485 -0.225925
O -6.919636 -1.601706 1.188199
O -7.548185 0.904489 0.007064
O -6.846989 -1.253713 -1.601701
C 3.517542 3.260693 -0.812738
C 4.536966 2.455818 0.032346
C 2.168043 2.548695 -1.083841
C 1.357903 2.214732 0.190546
C 4.982665 1.120026 -0.607065
C -0.042626 1.647057 -0.130260
C 6.095730 0.409644 0.195963
C -0.860285 1.300185 1.146455
C 6.540812 -0.933876 -0.425448
C -2.257224 0.783530 0.829790
C 7.666684 -1.633078 0.369233
C -2.499121 -0.557766 0.397909
C 8.109240 -2.978701 -0.250374
C -3.826343 -0.984650 0.059347
C -3.342878 1.690830 0.934657
C -4.848545 -0.019092 0.185726
C -4.655587 1.302329 0.618550
C -1.371005 -1.570234 0.282413
C 9.238314 -3.667740 0.546182
C -4.079424 -2.413902 -0.383444
H 3.986493 3.515188 -1.785682
H 3.312509 4.225343 -0.303692
H 5.434901 3.087490 0.193652
H 4.120081 2.257284 1.040897
H 1.550541 3.201530 -1.734832
H 2.341488 1.617998 -1.661031
H 1.251519 3.131897 0.807407
H 1.913674 1.484078 0.813091
H 5.341249 1.311993 -1.640403
H 4.113848 0.436879 -0.702194
H -0.612733 2.382682 -0.732442
H 0.060679 0.743124 -0.763396
H 5.744455 0.234500 1.234822
H 6.973812 1.084291 0.276657
H -0.288020 0.569494 1.750511
H -0.942949 2.214239 1.764912
H 6.882105 -0.759592 -1.467532
H 5.665673 -1.613788 -0.495834
H 8.543903 -0.955788 0.435771
H 7.328605 -1.805428 1.412766
H 8.443375 -2.806024 -1.293960
H 7.232717 -3.655782 -0.313440
H -3.153838 2.715516 1.272951
H -5.503480 1.988564 0.702837
H -1.158705 -1.815519 -0.776441
H -0.435722 -1.200531 0.728214
H -1.631725 -2.519957 0.783283
H 9.535527 -4.626493 0.082663
H 10.136685 -3.023825 0.597054
H 8.919192 -3.878774 1.584473
H -3.304910 -2.747349 -1.095484
H -4.046201 -3.096537 0.486755
H -5.057735 -2.535847 -0.871329
H -7.833030 -1.994540 1.067087


