%chk=000046551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046551

0 1
 O    1.639100       2.378500      0.6117000    
 O    4.944500      -1.208400      -1.547200    
 N  -0.4596000      0.5249000      0.8941000    
 N   -1.494300     -0.2988000       1.106100    
 N    4.713800      -1.151200     -0.3302000    
 C   0.8540000      0.1116000      0.5828000    
 C    1.880100       1.046900      0.4477000    
 C    1.121200      -1.246700      0.4123000    
 C   -2.706900     -0.2736000      0.3982000    
 C    3.173700      0.6236000      0.1420000    
 C    3.440900     -0.7348000     -2.8600000E-02
 C    2.414700      -1.669900      0.1066000    
 C   -3.747600      -1.136600      0.7539000    
 C   -2.881200      0.6146000     -0.6673000    
 C   -4.951700      -1.111900      5.0299998E-02
 C   -4.085400      0.6394000      -1.370800    
 C   -5.120600     -0.2239000      -1.011900    
 C    1.265300       3.116500     -0.5497000    
 H  -0.6032000       1.513600       1.069100    
 H   0.3446000      -2.000600      0.5087000    
 H   -1.435400     -0.9243000       1.902400    
 H    3.967300       1.361500      3.9900001E-02
 H    2.604900      -2.733000     -2.3300000E-02
 H   -3.629600      -1.834100       1.579500    
 H   -2.093400       1.298200     -0.9727000    
 H   -5.757800      -1.784100      0.3295000    
 H   -4.217100       1.330200      -2.198400    
 H   -6.058200     -0.2048000      -1.559800    
 H   0.3549000       2.705200     -0.9969000    
 H    2.078000       3.111400      -1.282800    
 H    1.071000       4.150100     -0.2507000    


%chk=000046551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046551

0 1
O 1.203653 2.431502 0.299416
O 5.260719 -0.357309 -1.276971
N -0.617903 0.633745 0.906592
N -1.663133 -0.196950 1.295359
N 4.360336 -1.247127 -0.991854
C 0.588803 0.135552 0.430776
C 1.612654 1.099040 0.098744
C 0.855281 -1.249443 0.271357
C -2.827283 -0.346404 0.501337
C 2.857374 0.685470 -0.368067
C 3.110584 -0.713252 -0.519181
C 2.109277 -1.668056 -0.201772
C -3.972704 -0.964204 1.074679
C -2.863569 0.085452 -0.850770
C -5.134152 -1.150322 0.298178
C -4.036768 -0.104601 -1.612449
C -5.178080 -0.721215 -1.049894
C 2.182354 3.482127 -0.002814
H -0.733110 1.651949 0.951232
H 0.066678 -1.966087 0.514901
H -1.715944 -0.422800 2.291673
H 3.666532 1.376037 -0.630008
H 2.344732 -2.728464 -0.339208
H -3.950298 -1.297749 2.120153
H -1.980066 0.551664 -1.297650
H -6.010077 -1.629609 0.749890
H -4.054825 0.229153 -2.656190
H -6.083263 -0.865510 -1.648313
H 2.468283 3.456829 -1.071046
H 3.084611 3.370395 0.627203
H 1.675304 4.429687 0.229197


