%chk=000068830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068830

0 1
 O   0.5715000       2.418200      1.9999999E-04
 O   -5.059900     -0.5765000     -1.6000000E-03
 O   -4.442300       1.610900      1.9999999E-04
 N    2.034400      0.5859000       0.000000    
 N    1.149100      -1.630800      3.0000001E-04
 C  -0.3817000      0.2836000      1.9999999E-04
 C  -0.1450000      -1.093700      3.9999999E-04
 C    2.157200     -0.8124000       0.000000    
 C   0.7746000       1.206600      9.9999997E-05
 C   -1.688700      0.7846000      9.9999997E-05
 C   -1.238600      -1.967400      3.9999999E-04
 C   -2.768000     -9.7999997E-02  3.9999999E-04
 C    3.170900       1.389400       0.000000    
 C    3.540900      -1.373500     -3.0000001E-04
 C   -2.543700      -1.472800      3.9999999E-04
 C    4.406400      0.8768000     -3.0000001E-04
 C    4.591400     -0.5469000     -3.9999999E-04
 C   -4.128400      0.4160000      9.9999997E-05
 H   -1.864200       1.857400     -9.9999997E-05
 H   -1.078600      -3.043100      5.0000002E-04
 H    3.024100       2.463800       0.000000    
 H    3.663900      -2.450200     -3.9999999E-04
 H   -3.354400      -2.195900      5.0000002E-04
 H    5.281400       1.516000     -3.0000001E-04
 H    5.604300     -0.9335000     -6.9999998E-04
 H   -5.973600     -0.2195000     -2.3000001E-03


%chk=000068830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068830

0 1
O 0.670834 2.481147 -0.000131
O -5.148268 -0.564762 -0.000353
O -4.466872 1.656403 -0.000318
N 2.066432 0.578168 -0.000111
N 1.151401 -1.685121 -0.000039
C -0.372527 0.279159 -0.000096
C -0.124549 -1.142808 -0.000049
C 2.200747 -0.846933 -0.000071
C 0.743542 1.221312 -0.000152
C -1.701192 0.772788 -0.000095
C -1.245458 -2.031995 -0.000018
C -2.787184 -0.120297 -0.000046
C 3.184255 1.417186 -0.000111
C 3.545146 -1.366996 -0.000017
C -2.548317 -1.533929 -0.000019
C 4.463300 0.899869 -0.000070
C 4.648599 -0.527406 -0.000019
C -4.161965 0.439403 -0.000024
H -1.876037 1.853653 -0.000126
H -1.039389 -3.105950 0.000015
H 2.941555 2.482526 -0.000149
H 3.632037 -2.455734 0.000019
H -3.406814 -2.210671 0.000016
H 5.316622 1.581855 -0.000075
H 5.659576 -0.946253 0.000017
H -6.042474 -0.129612 -0.000581


