%chk=000028590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028590

0 1
 S   -3.723200       2.934800     -0.8007000    
 S   -1.471300      -3.036500      -1.896300    
 O    5.161800      0.5447000     -0.9895000    
 O   -1.382700     -4.8799999E-02   2.002800    
 N    2.664000      0.4711000      0.3730000    
 C    1.387000     -0.1574000      0.7049000    
 C   0.1670000      0.7239000      0.3348000    
 C   -1.248200      0.1042000      0.5794000    
 C    3.787600     -0.3833000      0.7811000    
 C    2.746000      0.7577000      -1.065900    
 C    1.382800     -0.4583000       2.205100    
 C    5.108100      0.2878000      0.4141000    
 C    4.091400       1.401000      -1.390200    
 C   -2.418200       1.007800      0.1512000    
 C   -1.351500      -1.262300     -0.1144000    
 C   -3.746300      0.6543000      0.3817000    
 C   -1.467200      -2.451900      0.6053000    
 C   -2.219300       2.187100     -0.4671000    
 C   -1.337300      -1.387000      -1.456500    
 C   -4.587100       1.635000     -9.6500002E-02
 C   -1.543500      -3.523900     -0.2564000    
 H    1.312400      -1.112700      0.1700000    
 H   0.2507000       1.672100      0.8851000    
 H   0.2116000      0.9667000     -0.7310000    
 H    3.726000      -1.366600      0.2974000    
 H    3.851400     -0.5221000       1.862300    
 H    1.990700       1.477300      -1.390400    
 H    2.627600     -0.1635000      -1.650800    
 H    2.173400      -1.141600       2.524300    
 H   0.4967000      -1.013400       2.512700    
 H    1.447600      0.4549000       2.806900    
 H    5.253000       1.226300      0.9632000    
 H    5.945000     -0.3730000      0.6622000    
 H    4.179300       1.558900      -2.470000    
 H    4.202000       2.377300     -0.9024000    
 H   -1.276900      0.8271000       2.413100    
 H   -4.102000     -0.2469000      0.8642000    
 H   -1.497200      -2.565900       1.680900    
 H   -1.307800       2.688600     -0.7576000    
 H   -1.255800     -0.6250000      -2.219000    
 H   -5.667500       1.650600     -6.5200001E-02
 H   -1.638200      -4.570000     -1.3000000E-03


%chk=000028590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028590

0 1
S -3.745989 3.263810 -0.339705
S -1.153134 -2.398032 -2.673848
O 5.007259 0.121481 -1.189056
O -1.590176 -0.560322 1.917020
N 2.567440 0.325857 0.410996
C 1.339654 -0.116627 1.160298
C 0.150540 0.793604 0.731007
C -1.238328 0.096437 0.620687
C 3.871972 -0.038353 1.024323
C 2.549083 -0.164134 -0.996393
C 1.525687 -0.068097 2.690587
C 5.019079 0.582613 0.208038
C 3.706905 0.450510 -1.796081
C -2.349721 1.095596 0.282125
C -1.209395 -1.048137 -0.396599
C -3.746396 0.696436 0.274421
C -1.082781 -2.444370 -0.034207
C -2.183519 2.438299 -0.026177
C -1.262547 -0.854272 -1.768361
C -4.618805 1.721442 -0.031677
C -1.040749 -3.297464 -1.121987
H 1.100900 -1.173217 0.885452
H 0.071798 1.634499 1.448831
H 0.381028 1.243000 -0.251362
H 4.019479 -1.147452 1.070473
H 3.926991 0.357785 2.052598
H 1.591186 0.105243 -1.477639
H 2.630416 -1.279753 -1.030823
H 2.280694 -0.790387 3.046737
H 0.565786 -0.330286 3.166182
H 1.820220 0.945027 3.023863
H 4.929516 1.690679 0.236708
H 5.999665 0.277870 0.610553
H 3.746391 0.039137 -2.818477
H 3.584579 1.554806 -1.840746
H -1.808006 0.159192 2.563817
H -4.064160 -0.326006 0.490426
H -1.052888 -2.775241 1.005160
H -1.267282 3.020824 -0.099797
H -1.392492 0.075452 -2.320499
H -5.704258 1.703717 -0.108357
H -0.953744 -4.382066 -1.144014


