%chk=000065876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065876

0 1
 S   0.5854000       3.638200       1.023900    
 S   -2.462100      -1.173700     -0.4300000    
 O    1.820900       1.026900      0.2743000    
 O   -1.154000       1.164500      -2.428100    
 O   0.6022000      -1.365200      0.9948000    
 O   -5.081600      -1.092600     -0.1112000    
 N  -0.8803000       1.838700     -0.2245000    
 C   0.2835000       2.685000     -0.4965000    
 C   -1.349000       1.887300       1.163500    
 C  -0.2450000       2.419600       2.059700    
 C    1.520800       1.857100     -0.8324000    
 C   -1.554300       1.201200      -1.262900    
 C   -2.848200      0.5216000     -0.8895000    
 C    2.428700     -0.1748000      5.7999999E-03
 C    1.812600      -1.365700      0.3702000    
 C    3.663200     -0.1791000     -0.6322000    
 C    2.440600      -2.579700      9.2000000E-02
 C    4.291100      -1.393200     -0.9104000    
 C    3.679800      -2.593400     -0.5483000    
 C   -4.071600      -1.781700     -3.6899999E-02
 C   -4.091100      -3.219700      0.3982000    
 C   0.6083000      -1.321100       2.420400    
 H   4.7100000E-02   3.361100      -1.324900    
 H   -2.217300       2.557900       1.189900    
 H   -1.678900      0.9032000       1.504500    
 H   0.4621000       1.638100       2.343600    
 H  -0.6434000       2.870800       2.972500    
 H    2.376800       2.512700      -1.034700    
 H    1.339800       1.256800      -1.732900    
 H   -3.381200       1.047200     -9.4599999E-02
 H   -3.499400      0.5251000      -1.770500    
 H    4.153900      0.7487000     -0.9118000    
 H    1.969800      -3.518700      0.3704000    
 H    5.256800      -1.404000      -1.407200    
 H    4.168900      -3.538800     -0.7646000    
 H   -5.120100      -3.514800      0.6244000    
 H   -3.716100      -3.862300     -0.4031000    
 H   -3.488500      -3.349700       1.301400    
 H  -0.4042000      -1.090200       2.762200    
 H   0.8988000      -2.297500       2.819900    
 H    1.291300     -0.5511000       2.792600    


%chk=000065876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065876

0 1
S 0.215951 3.021974 1.654571
S -2.964799 -0.858497 -1.753443
O 1.415539 0.447763 0.415675
O -1.077164 2.095067 -2.582812
O 1.726670 -1.491421 2.374372
O -4.730882 -0.421454 0.314072
N -1.186885 1.788207 -0.284230
C 0.138218 2.445504 -0.145475
C -1.898796 1.432602 0.972908
C -0.892062 1.555668 2.126878
C 1.293804 1.528874 -0.566468
C -1.715574 1.679861 -1.559491
C -3.091326 1.036233 -1.707836
C 2.290246 -0.611281 0.125994
C 2.425896 -1.597678 1.149931
C 3.001879 -0.759356 -1.087830
C 3.225505 -2.734470 0.922632
C 3.808921 -1.902129 -1.297865
C 3.913607 -2.897622 -0.303138
C -4.153361 -1.287583 -0.380267
C -4.341417 -2.783194 -0.230902
C 2.189330 -0.392528 3.253297
H 0.169045 3.340642 -0.790562
H -2.752579 2.119647 1.128067
H -2.287355 0.401626 0.917308
H -0.261592 0.660439 2.210647
H -1.385908 1.790673 3.081572
H 2.239918 2.105140 -0.608843
H 1.064042 1.128437 -1.572668
H -3.796342 1.262488 -0.887346
H -3.506701 1.348605 -2.675777
H 2.925556 -0.004536 -1.876008
H 3.293934 -3.480059 1.721524
H 4.349370 -2.009269 -2.244511
H 4.530743 -3.786286 -0.470592
H -4.284432 -3.055448 0.837211
H -5.351966 -3.053895 -0.589359
H -3.596549 -3.359573 -0.801739
H 1.550858 -0.446610 4.148908
H 3.247228 -0.551406 3.539293
H 2.075527 0.589543 2.759303


