%chk=000008578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008578

0 1
 N   0.3977000      0.2523000     -0.5389000    
 N  -0.2261000       2.968900     -0.3073000    
 N    1.000700      8.7600000E-02  0.5445000    
 C   -1.939300     -0.3406000     -0.1522000    
 C   -3.269100      7.1699999E-02  0.1021000    
 C  -0.9332000      0.6300000     -0.2868000    
 C   -1.233700       1.987600     -0.1721000    
 C   -3.553500       1.442400      0.2143000    
 C   -1.654800      -1.711200     -0.2644000    
 C   -4.275200     -0.8988000      0.2368000    
 C   -2.541400       2.393000      7.8000002E-02
 C   -2.666700      -2.661900     -0.1276000    
 C   -3.974400      -2.256400      0.1225000    
 C    2.330800     -0.2901000      0.2930000    
 C    3.328100      0.6725000      0.1605000    
 C    4.643100      0.2792000     -8.8299997E-02
 C    2.639200      -1.643200      0.1783000    
 C    3.017400       2.128700      0.2813000    
 C    4.956100      -1.075200     -0.2036000    
 C    3.954200      -2.036400     -7.0200004E-02
 H   -4.568600       1.782000      0.4095000    
 H  -0.6492000      -2.071800     -0.4659000    
 H   -5.304300     -0.6048000      0.4325000    
 H   -2.789300       3.447600      0.1695000    
 H   -2.433900      -3.719000     -0.2179000    
 H   -4.761800      -2.997000      0.2285000    
 H    5.433700       1.017100     -0.1966000    
 H    1.866700      -2.400300      0.2827000    
 H  -0.4712000       3.949100     -0.2573000    
 H   0.6631000       2.698600     -0.7002000    
 H    2.742500       2.534400     -0.6960000    
 H    2.223700       2.320200       1.009100    
 H    3.893500       2.682600      0.6382000    
 H    5.979900      -1.381500     -0.3976000    
 H    4.198100      -3.091000     -0.1596000    


%chk=000008578-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008578

0 1
N 0.364181 0.696932 -0.848938
N -0.835466 2.226631 -2.628606
N 1.091745 0.026490 0.023466
C -1.880382 0.081594 0.276492
C -3.316642 0.268410 0.194060
C -1.029576 0.744822 -0.705358
C -1.635176 1.578867 -1.715932
C -3.870267 1.101192 -0.840695
C -1.379371 -0.754382 1.328139
C -4.179510 -0.370453 1.136877
C -3.062161 1.739748 -1.767916
C -2.251783 -1.368858 2.239485
C -3.660876 -1.182028 2.152146
C 2.494172 0.006466 -0.263032
C 3.333426 -0.492514 0.786180
C 4.728754 -0.552938 0.555991
C 3.065044 0.403734 -1.506155
C 2.745633 -0.941576 2.110315
C 5.293961 -0.147810 -0.674814
C 4.454223 0.328219 -1.711546
H -4.958785 1.228025 -0.884415
H -0.299838 -0.893627 1.398324
H -5.261495 -0.212211 1.050347
H -3.497754 2.375248 -2.547640
H -1.839371 -2.003132 3.032737
H -4.328213 -1.668284 2.871716
H 5.380676 -0.926728 1.354469
H 2.395947 0.750485 -2.299663
H -1.224227 2.814482 -3.359948
H 0.171270 2.074978 -2.536709
H 2.165317 -0.133218 2.589736
H 2.045893 -1.785475 1.966125
H 3.540922 -1.263525 2.804766
H 6.377187 -0.211345 -0.827628
H 4.885343 0.628082 -2.673573


