%chk=000095132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095132

0 1
 S    4.084400     -1.6000001E-02  -1.204200    
 N   -1.573000       1.381700      0.1483000    
 N   -2.641700     -0.6959000     -4.6700001E-02
 N   -3.877900       1.267300      0.5660000    
 N   -4.999500     -0.8453000      0.3736000    
 N   -3.764400      -2.746400     -0.2278000    
 C    4.762700     -0.4310000      0.4275000    
 C    6.230700     -0.8257000      0.3111000    
 C    2.399200      0.4001000     -0.8011000    
 C  -0.2389000       1.052000     -0.1702000    
 C    2.131100       1.449900      7.7299997E-02
 C    1.348200     -0.3238000      -1.364100    
 C   0.8120000       1.775800      0.3929000    
 C   2.9100001E-02  2.2000000E-03  -1.048700    
 C    6.814200      -1.172700       1.673000    
 C   -2.752000      0.6157000      0.2265000    
 C   -3.804000      -1.362000      4.6700001E-02
 C   -4.960100      0.4742000      0.6197000    
 H    4.181200      -1.255800      0.8535000    
 H    4.666600      0.4320000       1.094300    
 H    6.341700      -1.693300     -0.3506000    
 H    6.814200     -4.4000000E-03 -0.1223000    
 H    2.933000       2.034200      0.5214000    
 H    1.538000      -1.139300      -2.057800    
 H   0.6162000       2.596900       1.077900    
 H  -0.7569000     -0.5591000      -1.542900    
 H    6.279000      -2.013000       2.126600    
 H    7.867000      -1.454700       1.573300    
 H    6.754600     -0.3184000       2.354800    
 H   -1.698600       2.327900      0.4954000    
 H   -5.896500      0.9468000      0.8888000    
 H   -2.885900      -3.178100     -0.4791000    
 H   -4.615000      -3.289000     -0.1709000    


%chk=000095132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095132

0 1
S 4.174053 -0.018515 -1.232151
N -1.582545 1.199443 0.385625
N -2.848412 -0.744920 -0.220172
N -3.855258 1.231247 0.810011
N -5.256313 -0.675146 0.243574
N -4.251142 -2.546181 -0.746709
C 4.940567 -0.440388 0.467967
C 6.443662 -0.713615 0.293683
C 2.435274 0.317898 -0.718166
C -0.264996 0.850382 -0.002095
C 2.084056 1.561182 -0.138123
C 1.426310 -0.647116 -0.941705
C 0.749542 1.824150 0.222544
C 0.082431 -0.393373 -0.594030
C 7.120576 -1.057852 1.640335
C -2.776836 0.513016 0.306810
C -4.111779 -1.288995 -0.227860
C -5.041540 0.575514 0.743171
H 4.409178 -1.323390 0.862738
H 4.761425 0.418814 1.137470
H 6.586018 -1.548166 -0.420078
H 6.929122 0.175511 -0.153485
H 2.853701 2.324498 0.017085
H 1.696062 -1.606680 -1.395053
H 0.489405 2.791645 0.670625
H -0.700011 -1.133019 -0.767938
H 6.671107 -1.960385 2.094944
H 8.199344 -1.251657 1.499053
H 7.017838 -0.227403 2.363616
H -1.710612 2.125677 0.804407
H -5.918745 1.103844 1.129025
H -3.436272 -3.035204 -1.108418
H -5.176514 -2.968017 -0.764500


