%chk=000063514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063514

0 1
 O   -2.549800       1.995300      -1.082400    
 O   0.8723000      -2.408600     -0.8557000    
 N  -0.9816000      0.6146000      5.4000001E-03
 N   -1.694500      -1.495900      0.8411000    
 N    5.627100      -1.186900     -8.1000000E-02
 C  -0.7661000     -0.6124000      0.6374000    
 C   4.7100000E-02   1.613300     -9.4999999E-02
 C   -3.302800     -7.2400004E-02 -0.3253000    
 C   -2.246800      0.9420000     -0.5267000    
 C   0.6282000      -1.007700       1.079200    
 C   -2.986600      -1.238000      0.3724000    
 C   0.2224000       2.550600      0.9165000    
 C   0.8629000       1.624200      -1.220900    
 C   -4.600800      0.1446000     -0.8029000    
 C    1.410300      -1.704900     -3.8000001E-03
 C   -3.988500      -2.191300      0.5885000    
 C    1.226600       3.511900      0.8007000    
 C  -0.6436000       2.556000       2.134300    
 C    1.866900       2.585400      -1.336600    
 C   -5.589300     -0.8131000     -0.5814000    
 C    2.048900       3.529200     -0.3259000    
 C   -5.284200      -1.980200      0.1148000    
 C    2.890900      -1.522800     -3.0900000E-02
 C    3.551100      -1.307800       1.152100    
 C    3.540400      -1.577200      -1.237900    
 C    4.924800      -1.145300       1.073600    
 C    4.914700      -1.402500      -1.209500    
 H    1.161600     -0.1230000       1.433000    
 H   0.5451000      -1.702100       1.924300    
 H   0.7297000      0.8930000      -2.013800    
 H   -4.860600       1.049800      -1.344700    
 H   -3.763400      -3.109300       1.126100    
 H    1.382500       4.254500       1.578800    
 H  -0.3693000       3.361600       2.824300    
 H   -1.692600       2.708500       1.860800    
 H  -0.5449000       1.613700       2.682700    
 H    2.507900       2.597900      -2.213300    
 H   -6.597400     -0.6484000     -0.9503000    
 H    2.831200       4.277100     -0.4160000    
 H   -6.053700      -2.726900      0.2878000    
 H    3.063500      -1.280300       2.118700    
 H    3.027900      -1.740900      -2.178400    
 H    5.516300     -0.9762000       1.967400    
 H    5.497000      -1.430800      -2.124600    


%chk=000063514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063514

0 1
O -2.786213 2.243908 -0.662412
O 1.164181 -1.246877 -1.518632
N -1.067232 0.792577 0.025411
N -1.492453 -1.499677 0.645049
N 5.780581 -2.366304 0.323722
C -0.667349 -0.476978 0.489468
C -0.105459 1.881286 -0.137411
C -3.351458 -0.068830 -0.159666
C -2.442615 1.083265 -0.298425
C 0.787871 -0.700887 0.839945
C -2.845959 -1.323644 0.308034
C 0.010412 2.872187 0.875709
C 0.664577 1.931899 -1.318556
C -4.726113 0.071167 -0.484148
C 1.634354 -1.185829 -0.350652
C -3.735237 -2.425355 0.442170
C 0.960226 3.904092 0.671733
C -0.869415 2.848556 2.109471
C 1.600423 2.972783 -1.500146
C -5.592849 -1.025655 -0.349976
C 1.750580 3.958322 -0.498667
C -5.092725 -2.275855 0.114557
C 3.061365 -1.588231 -0.077489
C 3.659336 -1.518514 1.207284
C 3.856314 -2.055436 -1.156796
C 5.007725 -1.914639 1.355809
C 5.193740 -2.428697 -0.911871
H 1.255740 0.212319 1.253959
H 0.811360 -1.480975 1.621880
H 0.521553 1.160466 -2.081558
H -5.077887 1.045695 -0.838032
H -3.328066 -3.376156 0.798745
H 1.069986 4.680051 1.438451
H -0.540655 3.600773 2.845801
H -1.916412 3.073871 1.833254
H -0.870962 1.859678 2.604676
H 2.198200 3.015430 -2.416429
H -6.653289 -0.922474 -0.602823
H 2.473016 4.771332 -0.630831
H -5.773503 -3.128244 0.215883
H 3.104876 -1.166044 2.082076
H 3.418277 -2.119028 -2.157356
H 5.498702 -1.873224 2.334362
H 5.833257 -2.793804 -1.722670


