%chk=000168847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168847

0 1
 S   -5.265300       1.401800      2.0900000E-02
 O   -4.477900     -3.8800001E-02  0.1002000    
 O   -3.348000      -2.671100     -0.6113000    
 O    6.921900       1.282000     -0.2250000    
 O   -6.456000       1.243200       1.124600    
 O   -4.363500       2.434500      0.4963000    
 O   -5.882200       1.518600      -1.287300    
 C    1.527100     -0.7232000     -0.2795000    
 C   0.4308000      0.2874000      0.1746000    
 C  -0.9245000     -0.1699000     -0.3688000    
 C   -1.305200      -1.576700      0.1314000    
 C    2.948400     -0.3262000      0.2874000    
 C    1.130900      -2.206000     -2.4499999E-02
 C  -0.3022000      -2.560600     -0.4606000    
 C   -2.168900      0.6698000     -0.1038000    
 C   0.7749000       1.698300     -0.3232000    
 C    3.196400       1.180500      0.1282000    
 C   -2.721700      -1.638000     -0.4155000    
 C   -3.293000     -0.2391000     -0.6249000    
 C    4.030000      -1.109800     -0.5144000    
 C   -1.419600      -1.734200       1.659000    
 C    2.217000       2.056500     -0.1568000    
 C    3.072600     -0.6740000       1.790300    
 C    4.616900       1.667500      0.2994000    
 C    5.461700     -0.6336000     -0.2728000    
 C    5.599300      0.8611000     -0.5438000    
 H    1.584100     -0.6271000      -1.376400    
 H   0.3906000      0.3200000       1.269300    
 H  -0.8232000     -0.2087000      -1.467900    
 H    1.229900      -2.449700       1.037300    
 H    1.821200      -2.869700     -0.5570000    
 H  -0.3614000      -2.553500      -1.556800    
 H  -0.5381000      -3.586700     -0.1536000    
 H   -2.138600       1.615000     -0.6554000    
 H   -2.276500      0.9054000      0.9606000    
 H   0.1658000       2.428500      0.2233000    
 H   0.5218000       1.806300      -1.385300    
 H   -3.456200     -9.4999999E-02  -1.699000    
 H    3.824400      -1.022400      -1.590000    
 H    3.980500      -2.179200     -0.2773000    
 H   -2.193700      -1.088400       2.087700    
 H   -1.701300      -2.763300       1.913300    
 H  -0.4849000      -1.514000       2.181100    
 H    2.458500       3.109900     -0.2781000    
 H    4.011500     -0.3146000       2.224700    
 H    2.263200     -0.2301000       2.378900    
 H    3.056300      -1.755600       1.958300    
 H    4.715200       2.728900      3.6600001E-02
 H    4.899800       1.613100       1.358400    
 H    5.778900     -0.8634000      0.7519000    
 H    6.150300      -1.189700     -0.9210000    
 H    5.430500       1.067100      -1.608000    
 H    7.534700      0.7623000     -0.7727000    
 H   -6.967200      0.4015000       1.074900    


%chk=000168847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168847

0 1
S -6.080541 0.484323 -0.399228
O -4.466368 0.808543 0.585153
O -3.704719 -1.972805 -0.130297
O 7.152534 0.802980 -0.444200
O -6.243444 -1.258955 -0.136308
O -7.241810 1.236077 0.388072
O -5.733089 0.803206 -1.942586
C 1.485700 -0.554792 -0.224765
C 0.556188 0.575798 0.331804
C -0.890961 0.294006 -0.116715
C -1.413006 -1.107102 0.331133
C 2.981074 -0.374524 0.245956
C 0.936662 -1.989628 0.050101
C -0.551792 -2.197140 -0.340283
C -2.030873 1.279024 0.263817
C 1.030058 1.953148 -0.184751
C 3.414884 1.098745 0.089351
C -2.883019 -1.014349 -0.038834
C -3.276694 0.478690 -0.197547
C 3.898985 -1.253454 -0.675643
C -1.454142 -1.293003 1.889861
C 2.532300 2.113003 -0.119319
C 3.172291 -0.802931 1.734550
C 4.907892 1.390538 0.190621
C 5.411737 -0.992362 -0.490324
C 5.740784 0.490682 -0.737839
H 1.490495 -0.415410 -1.330872
H 0.608944 0.584279 1.439539
H -0.861158 0.265198 -1.231545
H 1.060182 -2.238407 1.119705
H 1.545533 -2.725792 -0.507387
H -0.666348 -2.126018 -1.440464
H -0.887276 -3.207915 -0.042656
H -1.963517 2.251795 -0.247473
H -2.076065 1.461597 1.352089
H 0.545440 2.763002 0.397192
H 0.686355 2.093728 -1.234527
H -3.465967 0.671584 -1.279105
H 3.627711 -1.051401 -1.733178
H 3.692782 -2.324560 -0.490558
H -2.108099 -0.556506 2.388973
H -1.839666 -2.300147 2.124925
H -0.444973 -1.191660 2.319617
H 2.923309 3.133191 -0.245919
H 4.171907 -0.522629 2.107411
H 2.432334 -0.309473 2.390092
H 3.072814 -1.896832 1.856927
H 5.109616 2.450363 -0.044796
H 5.279037 1.217212 1.221345
H 5.737843 -1.259216 0.533304
H 5.985071 -1.635003 -1.189561
H 5.510860 0.739822 -1.799008
H 7.732374 0.240946 -1.018835
H -5.274169 -1.662566 -0.179111


