%chk=000134484.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134484

0 1
 S    6.998700      -1.137700      0.1500000    
 O    5.447700     -0.6494000     -6.0800001E-02
 O    7.389000      -1.984500     -0.9571000    
 O    7.185200      -1.524800       1.532500    
 C    5.297800      0.7401000     -0.3824000    
 C    3.989800       1.255900      0.1853000    
 C    6.518200       1.430700      0.2161000    
 C    2.793300      0.5105000     -0.4070000    
 C    7.673600      0.4980000     -9.3999997E-02
 C    1.450000      0.9442000      0.1870000    
 C   0.2501000      0.2156000     -0.4245000    
 C   -1.064600      0.7104000      0.1848000    
 C   -2.302800      2.3300000E-02 -0.3984000    
 C   -3.618400      0.5350000      0.1925000    
 C   -4.819200     -0.2009000     -0.4089000    
 C   -6.132100      0.2839000      0.2101000    
 C   -7.366900     -0.4358000     -0.3398000    
 C   -8.672400     -3.7000000E-03  0.3315000    
 C   -9.860900     -0.8040000     -0.2034000    
 C   -11.15600     -0.4068000      0.4866000    
 H    5.308600      0.8317000      -1.475300    
 H    3.977800       1.116600       1.273700    
 H    3.892300       2.329900     -1.0900000E-02
 H    6.672000       2.436200     -0.1860000    
 H    6.411400       1.512900       1.305100    
 H    2.773100      0.6678000      -1.492700    
 H    2.907600     -0.5686000     -0.2471000    
 H    8.532200      0.6463000      0.5636000    
 H    7.980300      0.5816000      -1.140700    
 H    1.464400      0.7716000       1.270400    
 H    1.329100       2.024800      4.0300000E-02
 H   0.3506000     -0.8635000     -0.2584000    
 H   0.2356000      0.3774000      -1.508900    
 H   -1.150700       1.792800      2.7000001E-02
 H   -1.044200      0.5496000       1.269900    
 H   -2.223800      -1.057400     -0.2264000    
 H   -2.315000      0.1704000      -1.485600    
 H   -3.711900       1.611200      4.3000001E-03
 H   -3.607300      0.3957000       1.280300    
 H   -4.713000      -1.279300     -0.2400000    
 H   -4.844600     -4.3600000E-02  -1.493800    
 H   -6.090600      0.1398000       1.297000    
 H   -6.239900       1.361900      3.7900001E-02
 H   -7.235200      -1.516800     -0.2057000    
 H   -7.436400     -0.2575000      -1.420000    
 H   -8.836800       1.066800      0.1601000    
 H   -8.590800     -0.1491000       1.415500    
 H   -9.688400      -1.875700     -5.0299998E-02
 H   -9.962300     -0.6426000      -1.282900    
 H   -11.37520      0.6540000      0.3284000    
 H   -11.09840     -0.5890000       1.564500    
 H   -11.99220     -0.9897000      8.7899998E-02


%chk=000134484-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134484

0 1
S 7.425845 -1.102517 -0.029888
O 5.566580 -0.697148 0.115266
O 7.732974 -1.887319 -1.409576
O 7.896308 -1.720448 1.384558
C 5.380147 0.696545 -0.352843
C 4.038792 1.176748 0.224270
C 6.595206 1.532131 0.151802
C 2.820414 0.411595 -0.335981
C 7.885116 0.808917 -0.216790
C 1.484482 0.916710 0.251811
C 0.254388 0.168221 -0.308938
C -1.084934 0.673114 0.273330
C -2.316830 -0.069106 -0.291965
C -3.656705 0.440868 0.284906
C -4.889854 -0.294879 -0.286171
C -6.229903 0.218907 0.287017
C -7.463842 -0.511193 -0.289908
C -8.804291 0.004584 0.280629
C -10.038291 -0.722708 -0.300888
C -11.373050 -0.200641 0.273787
H 5.348277 0.705083 -1.464133
H 4.075106 1.073875 1.326434
H 3.941462 2.259748 -0.002526
H 6.570402 2.530933 -0.321594
H 6.517600 1.655715 1.246310
H 2.796730 0.512778 -1.441124
H 2.943563 -0.666616 -0.120500
H 8.733584 0.951436 0.466639
H 8.172377 0.888171 -1.276005
H 1.505083 0.808944 1.356400
H 1.375654 2.003024 0.046420
H 0.359835 -0.916598 -0.100167
H 0.234871 0.271296 -1.414154
H -1.187187 1.759741 0.068520
H -1.068196 0.565652 1.378186
H -2.218023 -1.155081 -0.083872
H -2.331307 0.034724 -1.397294
H -3.752623 1.528159 0.080876
H -3.644952 0.332585 1.389811
H -4.796265 -1.381855 -0.080301
H -4.899897 -0.188520 -1.391340
H -6.222426 0.108338 1.391760
H -6.320964 1.306979 0.085085
H -7.374206 -1.599136 -0.086932
H -7.470175 -0.401627 -1.394841
H -8.894155 1.093084 0.080317
H -8.801357 -0.107962 1.385238
H -9.947979 -1.809993 -0.100216
H -10.039920 -0.610133 -1.404492
H -11.500473 0.877897 0.061794
H -11.409746 -0.331973 1.371905
H -12.238845 -0.734846 -0.159332


