%chk=000051436.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051436

0 1
 N    3.717900     -0.1240000      4.0399998E-02
 N   -8.890600     -0.8341000      0.3362000    
 C    4.045300      -1.556900      4.1900001E-02
 C    4.599800      0.7468000      0.8261000    
 C    5.502700      -1.774800     -0.3589000    
 C    6.060100      0.5290000      0.4329000    
 C    6.446600     -0.9432000      0.5012000    
 C    2.373600      0.2302000     -0.1291000    
 C   -2.677000      0.2440000     -8.2699999E-02
 C   -1.736300       1.311200     -0.6467000    
 C   -4.142500      0.6567000     -0.2402000    
 C  -0.2893000      0.9304000     -0.4644000    
 C    1.715300      0.9630000      0.8586000    
 C    1.692800     -0.1504000      -1.285300    
 C   -5.082800     -0.4281000      0.2897000    
 C   0.3762000       1.315100      0.6900000    
 C   0.3536000      0.2017000      -1.454100    
 C   -6.565900     -9.8999999E-02  9.1799997E-02
 C   -7.499600      -1.217800      0.5525000    
 H    3.414000      -2.123400     -0.6521000    
 H    3.866100      -1.965800       1.044400    
 H    4.360700       1.803700      0.6541000    
 H    4.472000      0.5397000       1.896000    
 H    5.756300      -2.836800     -0.2686000    
 H    5.636100      -1.499700      -1.412800    
 H    6.219700      0.8959000     -0.5890000    
 H    6.711500       1.116200       1.089800    
 H    6.405900      -1.290400       1.540600    
 H    7.478000      -1.074000      0.1556000    
 H   -2.505400     -0.7103000     -0.5967000    
 H   -2.458100      7.4500002E-02  0.9792000    
 H   -1.924900       2.276300     -0.1588000    
 H   -1.943300       1.471400      -1.712700    
 H   -4.325000       1.595100      0.2970000    
 H   -4.359000      0.8418000      -1.299200    
 H    2.209300       1.262400       1.778600    
 H    2.191700     -0.7092000      -2.072900    
 H   -4.860200      -1.375100     -0.2178000    
 H   -4.888900     -0.5884000       1.357500    
 H  -0.1296000       1.881200       1.467100    
 H  -0.1678000     -9.8099999E-02  -2.358700    
 H   -6.800300      0.8246000      0.6366000    
 H   -6.743800      0.1079000     -0.9715000    
 H   -7.285900      -2.139800      1.0000000E-03
 H   -7.344500      -1.421100       1.617300    
 H   -9.051100     -0.6705000     -0.6569000    
 H   -9.499100      -1.607900      0.6002000    


%chk=000051436-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051436

0 1
N 3.834265 -0.125074 0.024151
N -9.073579 -0.723461 0.434860
C 4.273500 -1.527808 -0.185577
C 4.625677 0.596659 1.041563
C 5.770699 -1.610945 -0.545088
C 6.136209 0.540460 0.722839
C 6.623965 -0.912588 0.536832
C 2.458144 0.196946 -0.133167
C -2.751234 0.203130 -0.132279
C -1.785250 1.258003 -0.740835
C -4.238662 0.568681 -0.332266
C -0.317145 0.913436 -0.542688
C 1.778820 1.081556 0.757037
C 1.708551 -0.321471 -1.233864
C -5.211762 -0.474203 0.262685
C 0.427974 1.431524 0.543372
C 0.358777 0.027145 -1.422939
C -6.696630 -0.094216 0.068589
C -7.670868 -1.140608 0.646296
H 3.666822 -1.987148 -0.980995
H 4.093609 -2.121484 0.744927
H 4.303364 1.652191 1.055722
H 4.447146 0.177271 2.063600
H 6.060400 -2.674649 -0.646549
H 5.937708 -1.120787 -1.523954
H 6.323148 1.110857 -0.207799
H 6.692733 1.040642 1.538783
H 6.523949 -1.462885 1.495692
H 7.695590 -0.930453 0.263290
H -2.543668 -0.785373 -0.590415
H -2.533373 0.095402 0.949610
H -2.006652 2.242737 -0.282827
H -2.010632 1.354610 -1.822439
H -4.437758 1.559327 0.127882
H -4.444713 0.684980 -1.417431
H 2.293807 1.489325 1.631737
H 2.196510 -0.969224 -1.969815
H -5.016671 -1.463475 -0.202406
H -5.001566 -0.593606 1.346183
H -0.059064 2.118561 1.247846
H -0.178151 -0.381063 -2.289412
H -6.909925 0.880876 0.547770
H -6.901404 0.034968 -1.016252
H -7.423501 -2.139157 0.205429
H -7.501334 -1.224875 1.737540
H -9.317601 -0.596320 -0.553240
H -9.765924 -1.298414 0.925200


