%chk=000028563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028563

0 1
 O   -2.444600      -1.667700     -0.2619000    
 O   -3.459600      0.9405000      0.4295000    
 N    2.807300     -0.1526000      0.4200000    
 N    4.899200     -0.5940000       1.305400    
 N    4.802200     -9.7099997E-02 -0.9169000    
 C   -1.649000     -0.5538000     -0.1988000    
 C   -2.138800      0.7082000      0.1471000    
 C   0.5665000      0.3739000     -0.4416000    
 C   -3.698400      -1.465500      0.3961000    
 C   -4.296100     -0.1328000     -1.0900000E-02
 C  -0.2986000     -0.7185000     -0.5080000    
 C   -1.270400       1.797100      0.2263000    
 C   8.2400002E-02   1.628500     -6.9700003E-02
 C    2.012800      0.2001000     -0.7632000    
 C    4.085300     -0.2663000      0.2467000    
 H   -3.538600      -1.522800       1.479900    
 H   -4.363000      -2.284900      0.1049000    
 H   -4.416600     -5.9200000E-02  -1.098800    
 H   -5.279000      9.9999997E-05  0.4516000    
 H   7.6600000E-02  -1.700100     -0.7870000    
 H   -1.640600       2.779400      0.5070000    
 H   0.7494000       2.484500     -8.8999998E-03
 H    2.116300     -0.5788000      -1.530700    
 H    2.386700       1.131300      -1.209900    
 H    4.516200     -0.7504000       2.231400    
 H    5.902800     -0.6876000       1.193700    
 H    5.809900     -0.2129000     -0.9307000    
 H    4.359300      0.1427000      -1.796600    


%chk=000028563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028563

0 1
O -2.791854 -1.291066 -1.077603
O -3.414183 0.787809 0.898725
N 3.025617 0.275615 0.363566
N 5.182102 1.169019 0.627826
N 4.891546 -0.516936 -0.979206
C -1.777486 -0.567902 -0.396199
C -2.079540 0.432231 0.568766
C 0.620137 -0.188278 -0.054728
C -4.116339 -1.163076 -0.435525
C -4.395294 0.304302 -0.093413
C -0.437229 -0.865638 -0.706250
C -1.029488 1.098796 1.229361
C 0.312694 0.788160 0.923136
C 2.068405 -0.529864 -0.412147
C 4.288126 0.280977 0.008171
H -4.140412 -1.780813 0.483770
H -4.840017 -1.554785 -1.168722
H -4.333266 0.928176 -1.006919
H -5.382903 0.430497 0.379277
H -0.241917 -1.640026 -1.458067
H -1.282627 1.861753 1.972683
H 1.144619 1.290812 1.422039
H 2.217086 -1.619731 -0.220488
H 2.197391 -0.390062 -1.514427
H 4.753674 1.797251 1.305870
H 6.140405 0.869941 0.803730
H 5.746250 -0.208401 -1.437124
H 4.354103 -1.257461 -1.420102


