%chk=000028519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028519

0 1
 S   -2.993200     -0.3611000       2.272500    
 S    2.993100     -0.3610000      -2.272500    
 O   -3.817600      -1.117600       1.077000    
 O    3.817600      -1.117600      -1.077100    
 O   -1.827900      -1.162500       2.619000    
 O   -3.957400      3.7200000E-02   3.289900    
 O    1.828000      -1.162400      -2.619000    
 O    3.957400      3.7300002E-02  -3.289900    
 O   -4.703600      0.7636000      -2.446800    
 O    4.703600      0.7634000       2.446800    
 O   -5.728400      5.1000002E-03 -0.5650000    
 O    5.728400      5.2000000E-03  0.5650000    
 C  -0.6483000       2.263500      0.3212000    
 C   0.6484000       2.263400     -0.3212000    
 C   -2.383600       1.098300       1.532900    
 C    2.383600       1.098400      -1.532800    
 C   -1.134400       1.097300      0.9124000    
 C    1.134300       1.097300     -0.9125000    
 C   -1.411500       3.430600      0.3503000    
 C    1.411600       3.430600     -0.3502000    
 C   -3.147000       2.265400       1.561800    
 C    3.146900       2.265400      -1.561800    
 C   -2.660900       3.431500      0.9706000    
 C    2.660900       3.431600     -0.9705000    
 C   -3.245800      -1.523900     -0.1041000    
 C    3.245800      -1.524000      0.1041000    
 C   -3.706600      -1.029000      -1.317700    
 C    3.706600      -1.029000       1.317700    
 C   -2.200000      -2.438000     -6.0100000E-02
 C    2.200000      -2.438000      5.9999999E-02
 C   -3.112500      -1.454400      -2.505900    
 C    3.112500      -1.454500       2.505800    
 C   -1.606100      -2.863500      -1.248200    
 C    1.606100      -2.863500       1.248100    
 C   -2.062400      -2.371800      -2.471100    
 C    2.062300      -2.371900       2.471100    
 C   -4.801600     -7.0699997E-02  -1.376500    
 C    4.801600     -7.0699997E-02   1.376500    
 H  -0.5430000      0.1864000      0.9267000    
 H   0.5430000      0.1864000     -0.9268000    
 H   -1.088700       4.353500     -0.1235000    
 H    1.088700       4.353500      0.1237000    
 H   -4.127000       2.287400       2.029800    
 H    4.127000       2.287400      -2.029800    
 H   -3.259800       4.337500      0.9853000    
 H    3.259700       4.337600     -0.9852000    
 H   -1.852600      -2.867000      0.8734000    
 H    1.852600      -2.867000     -0.8735000    
 H   -3.453600      -1.099500      -3.474800    
 H    3.453600      -1.099700       3.474800    
 H  -0.7959000      -3.586200      -1.222800    
 H   0.7959000      -3.586300       1.222700    
 H   -1.602300      -2.706900      -3.396200    
 H    1.602200      -2.707000       3.396100    
 H   -5.444100       1.406400      -2.477500    
 H    5.444100       1.406100       2.477600    


%chk=000028519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028519

0 1
S -2.695605 -0.381827 2.664671
S 2.695613 -0.381985 -2.664606
O -3.828945 -1.151065 1.143818
O 3.828971 -1.151218 -1.143746
O -1.383433 -1.336184 2.818815
O -3.724368 -0.115133 3.880063
O 1.383440 -1.336348 -2.818706
O 3.724373 -0.115333 -3.880009
O -2.835734 1.113886 -2.412112
O 2.835342 1.113619 2.412154
O -4.348341 1.008049 -0.659962
O 4.348284 1.007845 0.660291
C -0.604133 2.409063 0.435283
C 0.604210 2.409033 -0.435293
C -2.158309 1.241963 1.883617
C 2.158330 1.241847 -1.883626
C -0.991935 1.218759 1.109481
C 0.991995 1.218683 -1.109426
C -1.405159 3.570941 0.608520
C 1.405217 3.570907 -0.608643
C -2.973590 2.368823 2.065187
C 2.973581 2.368709 -2.065316
C -2.561992 3.555895 1.418849
C 2.562001 3.555821 -1.419038
C -3.064550 -1.646697 0.110248
C 3.064584 -1.646915 -0.110209
C -2.820244 -0.885877 -1.090839
C 2.820144 -0.886122 1.090870
C -2.503381 -2.949778 0.241874
C 2.503545 -2.950049 -0.241868
C -2.011598 -1.458724 -2.105162
C 2.011469 -1.459038 2.105131
C -1.712529 -3.498272 -0.785477
C 1.712697 -3.498626 0.785441
C -1.450731 -2.745690 -1.954952
C 1.450738 -2.746060 1.954888
C -3.430155 0.456819 -1.307265
C 3.429949 0.456610 1.307377
H -0.382334 0.310807 1.063385
H 0.382391 0.310738 -1.063249
H -1.139536 4.493010 0.080091
H 1.139615 4.493006 -0.080256
H -3.883590 2.319658 2.669578
H 3.883545 2.319514 -2.669758
H -3.164075 4.463306 1.527523
H 3.164067 4.463234 -1.527802
H -2.704195 -3.499636 1.166128
H 2.704449 -3.499879 -1.166120
H -1.823784 -0.881680 -3.013617
H 1.823538 -0.882012 3.013575
H -1.293256 -4.503941 -0.673661
H 1.293536 -4.504338 0.673600
H -0.810148 -3.147287 -2.745373
H 0.810148 -3.147719 2.745272
H -3.300131 1.984878 -2.535506
H 3.299713 1.984608 2.535665


