%chk=000051303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051303

0 1
 S   0.6038000       1.883600      0.3922000    
 O   -1.828300      -1.330400      0.1245000    
 O   -3.641300      -1.712900      -1.259400    
 O   -1.473200       1.197200       1.874300    
 O    2.208200      -2.288700       1.032500    
 C   -5.201600      0.1774000      0.3506000    
 C   -3.978200      0.9664000      0.6742000    
 C   -3.936900     -0.5227000      0.7536000    
 C   -6.329600      0.2551000       1.323900    
 C   -5.647000      2.4800001E-02  -1.065800    
 C   -3.221900       1.621400     -0.4078000    
 C   -3.136100      -1.254300     -0.2448000    
 C   -1.919400       1.919000     -0.3874000    
 C   -1.137500       2.549400      -1.496200    
 C   -1.082700       1.596300      0.7910000    
 C   0.2840000       2.021700      -1.390800    
 C  -0.9724000      -2.026100     -0.7874000    
 C   0.4394000      -2.062500     -0.3068000    
 C    1.588000      -1.808300      -1.073700    
 C   0.8527000      -2.349700      0.9616000    
 C    2.648000      -1.958800     -0.2103000    
 C    4.103300      -1.835400     -0.3736000    
 C    4.644700     -0.4327000     -0.1127000    
 C    5.034200     -9.9699996E-02   1.166400    
 C    4.726200      0.4530000      -1.165200    
 C    5.529300       1.182300       1.405100    
 C    5.221400       1.735000     -0.9266000    
 C    5.623000       2.099600      0.3586000    
 H   -3.998700       1.528500       1.603100    
 H   -3.905500     -0.9529000       1.750800    
 H   -6.944000       1.141400       1.132800    
 H   -6.970900     -0.6290000       1.241200    
 H   -5.981400      0.3112000       2.361400    
 H   -6.121300     -0.9526000      -1.212900    
 H   -6.410500      0.7801000      -1.290700    
 H   -4.881700      0.1492000      -1.835700    
 H   -3.778000       1.930300      -1.289500    
 H   -1.146700       3.639700      -1.373300    
 H   -1.557200       2.322700      -2.482000    
 H    1.005700       2.689700      -1.868700    
 H   0.3682000       1.029500      -1.845400    
 H   -1.332800      -3.055600     -0.9045000    
 H   -1.017300      -1.526700      -1.763200    
 H    1.648200      -1.547300      -2.120900    
 H   0.3482000      -2.604000       1.882400    
 H    4.617500      -2.545400      0.2880000    
 H    4.388600      -2.143200      -1.388500    
 H    4.962400     -0.8082000       1.986000    
 H    4.413300      0.1770000      -2.167600    
 H    5.841200       1.466500       2.405900    
 H    5.293200       2.449800      -1.741100    
 H    6.007800       3.098000      0.5444000    


%chk=000051303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051303

0 1
S 0.204141 4.548416 1.102647
O -1.993880 -2.811247 0.215859
O -2.182047 -1.264846 -1.526460
O -1.791566 3.081777 2.312187
O 2.448721 -3.711923 -0.041500
C -4.299479 0.127719 0.429635
C -2.937840 0.794873 0.749926
C -3.075345 -0.778383 0.719914
C -5.344156 0.189358 1.544858
C -4.893692 0.203680 -0.975231
C -2.160236 1.509483 -0.279633
C -2.397084 -1.583487 -0.325455
C -1.385323 2.626749 -0.088938
C -0.647254 3.332805 -1.215409
C -1.183244 3.281950 1.235021
C 0.646266 3.956049 -0.645543
C -1.225883 -3.727021 -0.708178
C 0.247560 -3.483455 -0.609175
C 0.999511 -2.395569 -1.212722
C 1.163408 -4.255396 0.088384
C 2.326899 -2.551096 -0.854541
C 3.599462 -1.797614 -1.111607
C 3.644021 -0.375501 -0.539721
C 3.022342 -0.053455 0.693209
C 4.362551 0.636238 -1.225083
C 3.119612 1.249586 1.230374
C 4.467465 1.939846 -0.687849
C 3.845521 2.251299 0.543494
H -2.845595 1.202117 1.760653
H -3.053694 -1.255372 1.703583
H -5.924218 1.128223 1.473687
H -6.051427 -0.657546 1.464568
H -4.879948 0.155891 2.546717
H -5.697329 -0.548710 -1.081835
H -5.340924 1.201260 -1.141264
H -4.151188 0.012897 -1.765696
H -2.199646 1.092795 -1.294942
H -1.287034 4.142079 -1.621272
H -0.414246 2.642681 -2.045696
H 0.991316 4.827017 -1.222344
H 1.457157 3.217378 -0.549150
H -1.503161 -4.731293 -0.353094
H -1.599491 -3.558686 -1.732806
H 0.581642 -1.597254 -1.822914
H 1.085065 -5.158192 0.688180
H 4.426386 -2.391712 -0.675000
H 3.794073 -1.751631 -2.200101
H 2.454482 -0.822631 1.229312
H 4.845162 0.402429 -2.182791
H 2.628137 1.486933 2.180420
H 5.030631 2.708884 -1.228963
H 3.921797 3.260307 0.964284


