%chk=000091286.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091286

0 1
 S   -1.273400       3.098100      4.4300001E-02
 S  -0.2974000       1.291400      1.4900000E-02
 O   -4.084700       2.257600      -2.313700    
 O    1.026800      -2.089000      0.9893000    
 O   -4.784400       3.956900     -0.9858000    
 O  -0.2193000      -1.309100       2.715400    
 O   -4.238200     -0.4954000       1.468500    
 O    4.143100       1.257400       1.988500    
 N   -3.428100      0.6684000     -0.3666000    
 N    2.579300     -1.1700000E-02  0.8386000    
 C   -3.854500       1.977500      6.1200000E-02
 C    1.514100      0.1190000       1.801400    
 C   -2.803500       2.664400      0.9367000    
 C   0.6619000       1.364800       1.547000    
 C   -4.287700       2.844000      -1.109700    
 C   0.6763000      -1.145400       1.895600    
 C   -3.659800     -0.4747000      0.3852000    
 C    3.822800      0.5778000       1.016800    
 C   -3.134300      -1.743600     -0.1813000    
 C    4.804100      0.3709000     -7.9300001E-02
 C   -2.799600      -2.799900      0.6661000    
 C    5.811300       1.310300     -0.3003000    
 C   -2.976100      -1.879100      -1.560600    
 C    4.718500     -0.7630000     -0.8872000    
 C   -2.306400      -3.991300      0.1344000    
 C    6.732700       1.116000      -1.329300    
 C   -2.483000      -3.070700      -2.092200    
 C    5.640100     -0.9573000      -1.916100    
 C   -2.148100      -4.126700      -1.244700    
 C    6.647300     -1.7700000E-02  -2.137000    
 H   -4.760000       1.834100      0.6652000    
 H    1.989300      0.2258000       2.785400    
 H   -2.558900       2.059300       1.816900    
 H   -3.214500       3.608800       1.311600    
 H    1.307400       2.249900       1.513900    
 H  -4.0199999E-02   1.489300       2.379100    
 H   -2.873500      0.6233000      -1.214900    
 H    2.357200     -0.4944000     -2.5599999E-02
 H   -2.910600      -2.712000       1.743700    
 H    5.892100       2.202200      0.3154000    
 H   -3.253200      -1.093800      -2.257400    
 H    3.970100      -1.533900     -0.7298000    
 H   -2.043800      -4.813000      0.7943000    
 H    7.516500       1.847700      -1.501900    
 H   -2.366000      -3.179200      -3.166500    
 H    5.578500      -1.843500      -2.541000    
 H   -1.765100      -5.054800      -1.658700    
 H    7.365800     -0.1699000      -2.937100    
 H   -4.376900       2.830300      -3.054600    
 H   0.4790000      -2.898400       1.071700    


%chk=000091286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091286

0 1
S -1.836476 3.698630 0.372569
S -0.137710 2.290398 -0.207225
O -4.622851 1.983792 -1.900784
O 0.215423 -1.332830 1.129770
O -5.340922 3.525656 -0.320189
O -0.939732 0.099276 2.555941
O -4.526576 -1.055776 0.834344
O 3.921219 1.621274 1.552126
N -3.155658 0.554654 -0.140499
N 2.243686 0.245901 0.752288
C -3.917631 1.661030 0.422618
C 1.286367 0.756446 1.737466
C -3.058817 2.585503 1.312285
C 0.820479 2.202672 1.442929
C -4.693903 2.496071 -0.607521
C 0.071635 -0.166266 1.873323
C -3.520447 -0.756938 0.115944
C 3.554247 0.696013 0.754886
C -2.623868 -1.812009 -0.477613
C 4.503978 0.056889 -0.222746
C -2.508272 -3.046752 0.215410
C 5.756574 0.694335 -0.414508
C -1.921273 -1.624859 -1.696106
C 4.219269 -1.139064 -0.934028
C -1.675890 -4.070422 -0.290819
C 6.702122 0.158801 -1.312458
C -1.101887 -2.656189 -2.207053
C 5.168369 -1.676896 -1.830134
C -0.968746 -3.875403 -1.502513
C 6.409617 -1.027674 -2.025697
H -4.686753 1.188178 1.072378
H 1.793033 0.806103 2.725633
H -2.506387 1.993939 2.059665
H -3.704829 3.327081 1.814668
H 1.697756 2.860720 1.367008
H 0.137454 2.552717 2.231602
H -2.268704 0.769945 -0.604872
H 1.933393 -0.525274 0.160177
H -3.100850 -3.188039 1.125616
H 5.961561 1.604956 0.157685
H -2.040721 -0.696280 -2.265845
H 3.276892 -1.680698 -0.785917
H -1.588806 -5.019437 0.249044
H 7.664359 0.661983 -1.455931
H -0.575363 -2.511849 -3.156710
H 4.943707 -2.603286 -2.369889
H -0.331974 -4.672973 -1.900453
H 7.143753 -1.446607 -2.722757
H -5.162191 2.562044 -2.506973
H -0.614658 -1.891785 1.133664


