%chk=000068899.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068899

0 1
 O  -0.4954000      0.1430000      0.2815000    
 N    2.550400     -0.4504000       1.321300    
 N    3.439600       1.021400     -0.3175000    
 C    1.065000      -1.703100     -0.1042000    
 C    2.039600     -0.9098000     -0.9556000    
 C    1.714600      -1.667600       1.277000    
 C  -0.3509000      -1.143400     -0.1306000    
 C    2.712900     -6.1999999E-02  9.0400003E-02
 C   -1.564900      -1.677700     -0.4957000    
 C   -2.528600     -0.6541000     -0.2969000    
 C   -1.820800      0.4439000      0.1813000    
 C    4.107200       1.870000      0.6472000    
 C    3.771600       1.206400      -1.714700    
 C   -3.918800     -0.5343000     -0.4679000    
 C   -2.402800       1.667900      0.5058000    
 C   -4.532900      0.6848000     -0.1495000    
 C   -3.786100       1.764800      0.3281000    
 H    1.001500      -2.738400     -0.4623000    
 H    1.546500     -0.3176000      -1.730400    
 H    2.791800      -1.564800      -1.408500    
 H   0.9789000      -1.648500       2.087900    
 H    2.364300      -2.538200       1.424800    
 H   -1.737100      -2.680600     -0.8604000    
 H    4.304900       2.865300      0.2346000    
 H    5.061800       1.425600      0.9468000    
 H    3.494300       2.016400       1.543300    
 H    2.876900       1.441000      -2.300300    
 H    4.249100      0.3118000      -2.128500    
 H    4.472700       2.036300      -1.858700    
 H   -4.512200      -1.364800     -0.8384000    
 H   -1.816900       2.500900      0.8758000    
 H   -5.607200      0.7906000     -0.2770000    
 H   -4.289700       2.698400      0.5666000    


%chk=000068899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068899

0 1
O -0.990979 0.526608 0.236287
N 2.911510 -0.360052 1.302773
N 4.187711 0.763708 -0.364143
C 0.929891 -1.021280 0.009535
C 1.804100 -0.031744 -0.822144
C 1.527499 -0.865700 1.466243
C -0.541379 -0.794459 -0.081775
C 3.043078 0.116523 0.075013
C -1.616712 -1.606931 -0.388701
C -2.824965 -0.804728 -0.273122
C -2.397285 0.500835 0.111942
C 5.345906 0.872167 0.536051
C 4.398416 1.154079 -1.760983
C -4.211650 -1.038362 -0.453769
C -3.263849 1.580105 0.327393
C -5.106799 0.033009 -0.243439
C -4.642744 1.323153 0.141609
H 1.128826 -2.051743 -0.337216
H 1.297110 0.944776 -0.942308
H 2.028376 -0.426086 -1.828280
H 0.925762 -0.145472 2.055894
H 1.526243 -1.828135 2.008226
H -1.553204 -2.657230 -0.667571
H 5.750544 1.902108 0.514860
H 6.154118 0.169936 0.243817
H 5.013640 0.620561 1.554617
H 3.438298 1.285531 -2.283447
H 5.003509 0.408475 -2.321458
H 4.936095 2.120494 -1.797282
H -4.582605 -2.025648 -0.748687
H -2.891556 2.564544 0.624467
H -6.182331 -0.127168 -0.377243
H -5.365275 2.131326 0.298141


