%chk=000045450.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045450

0 1
 O    1.146400      -1.672100     -0.8159000    
 N    3.252200      0.1630000     -0.1089000    
 N    4.095500      0.7481000      0.8814000    
 C   0.8803000     -0.2676000     -0.7052000    
 C  -0.5425000     -7.1800001E-02 -0.3021000    
 C    1.864000      0.3606000      0.3020000    
 C   -1.176100      -1.018600      0.5025000    
 C   -1.239500       1.058100     -0.7303000    
 C   -2.506600     -0.8356000      0.8791000    
 C   -2.569900       1.241300     -0.3536000    
 C   -3.203600      0.2945000      0.4512000    
 H    1.037200      0.1587000      -1.704400    
 H    1.706900     -9.9699996E-02   1.287600    
 H    1.647800       1.432800      0.3971000    
 H  -0.6537000      -1.900900      0.8619000    
 H  -0.7566000       1.804200      -1.356000    
 H    3.458200     -0.8329000     -0.1710000    
 H   -2.999400      -1.571000       1.508400    
 H   -3.112400       2.121500     -0.6861000    
 H    2.009500      -1.772000      -1.251700    
 H   -4.239200      0.4375000      0.7453000    
 H    4.039200      0.2038000       1.741800    
 H    5.063900      0.6785000      0.5711000    


%chk=000045450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045450

0 1
O 1.293096 -1.670235 -0.735749
N 3.212541 -0.252429 0.611528
N 3.960122 0.620474 -0.231745
C 0.984345 -0.265910 -0.464116
C -0.508958 -0.085178 -0.248397
C 1.797432 0.158676 0.794200
C -1.334112 -1.186241 0.086540
C -1.085882 1.206732 -0.344536
C -2.713107 -0.995709 0.330479
C -2.463630 1.398499 -0.096149
C -3.282573 0.296431 0.245012
H 1.327158 0.366655 -1.310889
H 1.406631 -0.389379 1.673284
H 1.686701 1.248751 0.974266
H -0.880681 -2.181007 0.126885
H -0.460087 2.063363 -0.627347
H 3.677780 -0.492182 1.500645
H -3.345343 -1.855638 0.581032
H -2.898930 2.401327 -0.176697
H 2.256670 -1.754424 -0.469956
H -4.352663 0.442473 0.432018
H 4.377896 1.450588 0.203788
H 4.547192 0.134762 -0.909897


