%chk=000159660.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159660

1 1
 O    3.228000      -1.652800      0.7585000    
 O    3.744100     -0.7677000      -1.264400    
 N   -3.388800     -0.1153000     -0.1245000    
 N    3.115900       1.764400     -0.4787000    
 C   -2.023700     -9.4200000E-02 -0.7028000    
 C   -1.020900      0.2187000      0.3979000    
 C   0.4020000      0.2970000     -0.1612000    
 C   -3.492500      -1.162200      0.9939000    
 C   -3.751700       1.253300      0.4695000    
 C   -4.431700     -0.4603000      -1.197300    
 C    1.410600      0.6472000      0.9415000    
 C    2.877400      0.6934000      0.4887000    
 C    3.331400     -0.6215000     -0.1211000    
 H   -1.997200      0.6639000      -1.494600    
 H   -1.823800      -1.074400      -1.152100    
 H   -1.016900     -0.5529000       1.173900    
 H   -1.226400       1.178600      0.8797000    
 H   0.4422000       1.053800     -0.9535000    
 H   0.6605000     -0.6653000     -0.6179000    
 H   -3.088900      -2.108100      0.6212000    
 H   -2.955700     -0.8177000       1.881100    
 H   -4.550400      -1.280200       1.250000    
 H   -3.199800       1.419300       1.397400    
 H   -3.528600       2.023800     -0.2740000    
 H   -4.822700       1.250200      0.6971000    
 H   -4.375500      0.3002000      -1.981500    
 H   -4.189800      -1.448000      -1.600500    
 H   -5.424100     -0.4655000     -0.7370000    
 H    1.140900       1.616200       1.382100    
 H    1.315400     -9.0200000E-02   1.749200    
 H    3.516100      0.8850000       1.359500    
 H    4.115200       1.841900     -0.6644000    
 H    2.831000       2.656900     -7.7299997E-02
 H    3.519400      -2.501400      0.3621000    


%chk=000159660-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159660

1 1
O 3.479985 -1.587112 0.674075
O 3.788958 -0.613221 -1.412639
N -3.484406 -0.091164 -0.096834
N 2.887218 1.843841 -0.528525
C -1.975627 -0.100718 -0.487715
C -0.977921 0.212687 0.636711
C 0.461161 0.167208 0.060050
C -3.771131 -1.145845 0.968597
C -3.897786 1.284512 0.420297
C -4.299043 -0.415528 -1.349701
C 1.528900 0.515360 1.115828
C 2.928910 0.761330 0.461377
C 3.442412 -0.512780 -0.215892
H -1.875300 0.635907 -1.305078
H -1.784740 -1.106537 -0.903917
H -1.059807 -0.518723 1.463061
H -1.152098 1.221320 1.056941
H 0.569139 0.898245 -0.766248
H 0.661571 -0.840913 -0.356845
H -3.438368 -2.128202 0.600005
H -3.230989 -0.891427 1.890769
H -4.853810 -1.167723 1.167073
H -3.368094 1.499388 1.358606
H -3.641814 2.043372 -0.334816
H -4.984041 1.286273 0.599785
H -4.099241 0.348098 -2.116635
H -4.001954 -1.406328 -1.725641
H -5.370186 -0.418416 -1.095657
H 1.249146 1.453427 1.633697
H 1.618320 -0.280848 1.877828
H 3.638290 0.966425 1.293203
H 3.315513 1.599223 -1.427765
H 3.168930 2.760839 -0.177985
H 3.868901 -2.385871 0.224489


