%chk=000066415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066415

0 1
 S    5.753300     -0.1229000      0.7676000    
 O   -5.794100      -1.543600      0.7279000    
 O   -6.168400       1.433200     -0.3760000    
 O    4.960900      0.1762000     -0.6423000    
 O    7.298500      0.2906000      0.4418000    
 O    5.255800      0.7798000       1.789300    
 O    5.726900      -1.556600      0.9927000    
 C   -3.464700     -0.8220000      0.3092000    
 C   -2.946700      0.5456000     -0.1836000    
 C   -1.437200      0.6947000      7.8999996E-03
 C  -0.7159000     -0.4061000     -0.8277000    
 C   -4.968700     -0.6234000      3.5799999E-02
 C   -2.797900      -1.915200     -0.5350000    
 C   -3.888400       1.549900      0.4824000    
 C   -5.245800      0.8186000      0.5140000    
 C   -1.260800      -1.819200     -0.4871000    
 C  -0.9223000       2.067400     -0.4300000    
 C   -3.217500      -1.109300       1.811400    
 C   0.8011000     -0.2597000     -0.7419000    
 C   0.5570000       2.201500     -8.1100002E-02
 C    1.384100      0.9885000     -0.4304000    
 C    1.655100      -1.332200      -1.054900    
 C    2.783700       1.117200     -0.3894000    
 C    3.043800      -1.188100      -1.018700    
 C    3.608500      3.5000000E-02 -0.6817000    
 H   -3.139400      0.6236000      -1.267000    
 H   -1.189200      0.5725000       1.070200    
 H  -0.9582000     -0.2304000      -1.887400    
 H   -5.188600     -0.7306000      -1.034200    
 H   -3.116300      -1.825900      -1.581900    
 H   -3.115600      -2.910300     -0.2014000    
 H   -3.553900       1.767400       1.503000    
 H   -3.931500       2.495000     -6.8499997E-02
 H   -5.686600      0.8502000       1.515800    
 H  -0.8974000      -2.128600      0.5003000    
 H  -0.8722000      -2.556400      -1.199200    
 H   -1.475400       2.875200      6.1799999E-02
 H   -1.064400       2.195300      -1.510900    
 H   -2.155700      -1.116900       2.071100    
 H   -3.699600     -0.3744000       2.463500    
 H   -3.617100      -2.092700       2.085600    
 H   0.6544000       2.374400      0.9984000    
 H   0.9585000       3.084700     -0.5927000    
 H   -6.717900      -1.290500      0.5599000    
 H   -5.758700       1.470400      -1.257200    
 H    1.258800      -2.301500      -1.341800    
 H    3.230100       2.075100     -0.1297000    
 H    3.676200      -2.037800      -1.261800    
 H    7.656800     -5.6699999E-02 -0.4086000    


%chk=000066415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066415

0 1
S 6.150961 -0.314722 1.004225
O -5.790824 -1.742891 0.572295
O -6.499551 1.312819 -0.235020
O 4.994318 0.356552 -0.672023
O 7.580629 -0.347419 -0.149725
O 6.543004 0.696703 2.198327
O 5.688541 -1.821015 1.374174
C -3.476413 -0.844432 0.271500
C -2.982586 0.551007 -0.236721
C -1.477568 0.757465 0.004475
C -0.704826 -0.352572 -0.780331
C -4.986564 -0.690722 -0.038329
C -2.740097 -1.941479 -0.529425
C -4.007705 1.561382 0.349011
C -5.337494 0.741790 0.466302
C -1.198115 -1.788715 -0.420843
C -0.961846 2.144417 -0.431036
C -3.281693 -1.060622 1.796140
C 0.813211 -0.168148 -0.687638
C 0.510725 2.315968 -0.009907
C 1.382258 1.110538 -0.353924
C 1.692279 -1.255636 -0.976592
C 2.780193 1.252658 -0.317621
C 3.084395 -1.114356 -0.946613
C 3.649349 0.163189 -0.631748
H -3.122486 0.544436 -1.343888
H -1.265594 0.643992 1.089330
H -0.968609 -0.193807 -1.854890
H -5.126102 -0.705437 -1.147969
H -3.037985 -1.872730 -1.597269
H -3.038810 -2.946644 -0.177338
H -3.689724 1.928779 1.342201
H -4.149583 2.451557 -0.290574
H -5.688300 0.683572 1.510079
H -0.855883 -2.046032 0.599846
H -0.736140 -2.529438 -1.099718
H -1.571381 2.945389 0.027290
H -1.063606 2.247509 -1.531131
H -2.222649 -1.219444 2.059386
H -3.646871 -0.206509 2.393874
H -3.854067 -1.950511 2.107927
H 0.552852 2.472724 1.087967
H 0.945596 3.225600 -0.465208
H -6.747545 -1.518561 0.445503
H -6.259878 1.455485 -1.186846
H 1.270546 -2.232842 -1.226913
H 3.238014 2.215647 -0.062339
H 3.753415 -1.954072 -1.158411
H 7.157609 -0.229422 -1.052365


