%chk=000028586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028586

1 1
 S   -3.764500       2.320600       1.530100    
 S  -0.9620000      -3.428600       1.300700    
 O   -1.130900      0.2377000      -1.950100    
 N    2.808800      0.7673000     -0.2034000    
 C    1.550200      2.5100000E-02 -0.6263000    
 C    2.919300      0.8015000       1.334900    
 C    4.067300      2.5000000E-02 -0.6978000    
 C    4.351300      0.3984000       1.626200    
 C    4.646200     -0.6191000      0.5463000    
 C   0.2930000      0.7393000     -8.6599998E-02
 C    2.771500       2.178900     -0.7682000    
 C    1.541200     -3.5200000E-02  -2.150100    
 C   -1.094100      0.1416000     -0.5103000    
 C   -2.301900      0.9307000      3.4699999E-02
 C   -1.202300      -1.322500     -5.5900000E-02
 C   -3.487800       1.048100     -0.6843000    
 C   -1.864900      -2.286300     -0.8158000    
 C   -2.268600       1.542600       1.231600    
 C  -0.6618000      -1.754700       1.100300    
 C   -4.397700       1.798500      2.7400000E-02
 C   -1.812300      -3.508900     -0.1834000    
 H    1.644500     -0.9890000     -0.2231000    
 H    2.241300      4.9800001E-02   1.752900    
 H    2.658800       1.796000       1.709300    
 H    4.758800      0.7588000      -1.125600    
 H    3.843500     -0.7530000      -1.427400    
 H    4.468000     -1.3100000E-02   2.632800    
 H    5.018500       1.263400       1.531800    
 H    5.716000     -0.8228000      0.4452000    
 H    4.137100      -1.566200      0.7623000    
 H   0.3519000      0.8204000       1.002600    
 H   0.2667000       1.769800     -0.4585000    
 H    2.711100       2.159500      -1.857700    
 H    1.964300       2.757300     -0.3169000    
 H    3.712900       2.665200     -0.4863000    
 H    1.118600      0.8706000      -2.600100    
 H    2.500000     -0.1845000      -2.647700    
 H   0.9265000     -0.8813000      -2.479300    
 H   -1.922000     -0.2029000      -2.296900    
 H   -3.721000      0.6285000      -1.653400    
 H   -2.368400      -2.149100      -1.763000    
 H   -1.485800       1.593700       1.974100    
 H  -0.1176000      -1.219100       1.864400    
 H   -5.404900       2.063300     -0.2624000    
 H   -2.234000      -4.445200     -0.5211000    


%chk=000028586-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028586

1 1
S -4.061745 2.980336 0.547219
S -0.756345 -2.791891 2.187796
O -1.245748 -0.019960 -2.008539
N 2.732013 0.633547 -0.285877
C 1.414601 0.448429 -1.138975
C 2.520795 0.166179 1.187784
C 3.873059 -0.295140 -0.833564
C 3.832894 -0.523809 1.583655
C 4.207243 -1.290803 0.295588
C 0.198861 1.149711 -0.474175
C 3.193659 2.083793 -0.296904
C 1.604975 0.911754 -2.592098
C -1.106016 0.295097 -0.556982
C -2.332560 1.073711 -0.081523
C -0.937478 -1.019948 0.224814
C -3.607741 0.414535 0.146894
C -0.592780 -2.282682 -0.398228
C -2.416853 2.450314 0.091931
C -1.057985 -1.124008 1.605386
C -4.629908 1.281728 0.482563
C -0.457251 -3.326769 0.502067
H 1.264543 -0.646504 -1.114670
H 1.678655 -0.545656 1.189250
H 2.259889 1.038573 1.805986
H 4.729859 0.352172 -1.078767
H 3.518568 -0.778056 -1.754290
H 3.682322 -1.189727 2.448262
H 4.613761 0.208679 1.857563
H 5.268069 -1.586343 0.264095
H 3.598027 -2.207381 0.204928
H 0.371122 1.360746 0.594708
H 0.016508 2.110285 -0.986414
H 3.508388 2.362801 -1.312146
H 2.366677 2.733212 0.027117
H 4.043457 2.191993 0.394850
H 1.723148 2.006342 -2.674178
H 2.446705 0.421762 -3.110785
H 0.674958 0.645014 -3.121194
H -2.201275 -0.193938 -2.207375
H -3.746198 -0.668179 0.089234
H -0.499014 -2.399283 -1.480317
H -1.649333 3.214195 -0.014948
H -1.355890 -0.361268 2.324076
H -5.670533 1.061199 0.711658
H -0.233303 -4.374663 0.310529


