%chk=000168708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168708

0 1
 S   -5.499000      0.2326000      0.6987000    
 O    5.923900       1.458900      0.4759000    
 O   -4.687500     -0.2417000     -0.6508000    
 O   -7.037100     -0.2336000      0.4132000    
 O   -5.007100     -0.5239000       1.835400    
 O   -5.485700       1.683500      0.7340000    
 C    3.654300      0.5817000      0.4766000    
 C    3.260400     -0.5843000     -0.4574000    
 C    2.962600       1.850500     -2.4700001E-02
 C   0.9714000      0.3939000     -0.8350000    
 C    1.777800     -0.8188000     -0.3802000    
 C    4.298900      -1.664200     -0.1537000    
 C    1.431200       1.670400     -7.3899999E-02
 C    5.160600      0.5200000      0.2920000    
 C    5.612700     -0.8699000     -0.1237000    
 C    3.373000      0.3480000       1.973400    
 C  -0.5374000      0.2052000     -0.7677000    
 C    1.210700      -1.952100      5.6100000E-02
 C  -0.2660000      -2.152100      0.1637000    
 C   -1.108500     -0.9905000     -0.2958000    
 C   -1.390000       1.226700      -1.224300    
 C   -2.506800      -1.125400     -0.2560000    
 C   -2.776800       1.080000      -1.182300    
 C   -3.335600     -9.4800003E-02 -0.6933000    
 H    3.455800     -0.2885000      -1.502900    
 H    3.327100       2.106900      -1.028100    
 H    3.212300       2.706600      0.6139000    
 H    1.208200      0.5369000      -1.900100    
 H    4.322800      -2.446700     -0.9190000    
 H    4.121000      -2.149600      0.8122000    
 H    1.035300       1.651700      0.9500000    
 H    1.004800       2.565800     -0.5420000    
 H    6.061400     -0.8124000      -1.119600    
 H    6.318300      -1.285800      0.5986000    
 H    3.947400     -0.4917000       2.379700    
 H    3.663600       1.230100       2.556600    
 H    2.316400      0.1514000       2.177300    
 H    1.830500      -2.785600      0.3731000    
 H  -0.5072000      -2.367200       1.211900    
 H  -0.5333000      -3.034400     -0.4309000    
 H  -0.9787000       2.149500      -1.625800    
 H   -2.949100      -2.048600      0.1131000    
 H   -3.412300       1.886100      -1.538500    
 H   -7.387700     -4.1000000E-03 -0.4793000    


%chk=000168708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168708

0 1
S -5.871660 0.504647 0.869689
O 5.982881 1.632293 0.323626
O -4.700088 -0.449971 -0.636673
O -7.306407 0.246584 -0.244638
O -6.208545 -0.260895 2.248398
O -5.466899 2.070362 0.920118
C 3.703469 0.618878 0.415112
C 3.290868 -0.569774 -0.524147
C 2.919464 1.885086 0.012314
C 0.967807 0.354054 -0.776683
C 1.814558 -0.856986 -0.384431
C 4.380671 -1.641158 -0.277754
C 1.390732 1.619252 0.067013
C 5.228834 0.639177 0.197903
C 5.680073 -0.785858 -0.205169
C 3.501104 0.290009 1.927581
C -0.532827 0.109258 -0.713182
C 1.283356 -2.012651 0.087008
C -0.196327 -2.248416 0.283111
C -1.083119 -1.105942 -0.194612
C -1.413616 1.125573 -1.192603
C -2.481710 -1.254853 -0.137414
C -2.803480 0.975988 -1.152000
C -3.355730 -0.237607 -0.626324
H 3.450292 -0.190164 -1.561719
H 3.208123 2.182013 -1.016419
H 3.179135 2.732816 0.672669
H 1.220943 0.609819 -1.832424
H 4.417457 -2.395694 -1.082019
H 4.208376 -2.177279 0.673171
H 1.061351 1.472498 1.112697
H 0.851899 2.507963 -0.310878
H 6.177766 -0.715573 -1.191840
H 6.440107 -1.164965 0.501103
H 4.132404 -0.552520 2.262303
H 3.771021 1.172151 2.534599
H 2.452621 0.018869 2.137955
H 1.947899 -2.843282 0.358421
H -0.400560 -2.446287 1.357462
H -0.496241 -3.181061 -0.238794
H -0.985382 2.045985 -1.605061
H -2.934061 -2.169448 0.263384
H -3.481251 1.757223 -1.509131
H -6.888706 -0.039615 -1.111324


