%chk=000033696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033696

0 1
 N   -3.592800     -0.8647000     -0.1321000    
 N   -1.830500      -1.946000      0.6793000    
 N    4.619000      -1.390300     -0.5480000    
 C   -2.522300     -3.1199999E-02 -0.3356000    
 C   -2.644700       1.290800      -1.004700    
 C   -1.322000       1.753600      -1.623000    
 C   -1.447700     -0.7210000      0.1876000    
 C  -8.4200002E-02 -0.2728000      0.2354000    
 C  -0.2930000       2.129900     -0.5766000    
 C   0.2903000       1.174700      0.2875000    
 C   -3.127500      -1.998400      0.4737000    
 C   0.9282000      -1.162900      0.2021000    
 C    2.372100     -0.7764000      0.2152000    
 C   8.2599998E-02   3.481200     -0.4657000    
 C    1.211800       1.616500       1.258000    
 C   -4.968900     -0.5991000     -0.4880000    
 C    3.216800      -1.792000     -0.5533000    
 C   -4.017500      -3.120300      0.8360000    
 C    1.009800       3.892500      0.4897000    
 C    1.571300       2.961200       1.353900    
 C    5.429100      -2.338200      -1.314700    
 C    5.120000      -1.287000      0.8234000    
 H   -3.381800       1.227200      -1.814300    
 H   -3.011700       2.032900     -0.2850000    
 H   -1.527300       2.620300      -2.264500    
 H  -0.8996000      0.9870000      -2.285800    
 H   0.7103000      -2.229100      0.1785000    
 H    2.679100     -0.7697000       1.265200    
 H    2.568500      0.1959000     -0.2463000    
 H  -0.3538000       4.228800      -1.124100    
 H    1.614200      0.9437000       2.010900    
 H   -5.170600      0.4698000     -0.3841000    
 H   -5.118800     -0.9186000      -1.522200    
 H   -5.641100      -1.141600      0.1800000    
 H    3.092000      -2.794900     -0.1219000    
 H    2.854900      -1.840700      -1.588900    
 H   -3.430300      -3.971200       1.196600    
 H   -4.706300      -2.829900       1.635300    
 H   -4.598000      -3.461500     -2.6900001E-02
 H    1.283900       4.940500      0.5653000    
 H    2.274700       3.281900       2.116800    
 H    5.074600      -2.398700      -2.349700    
 H    5.406900      -3.345400     -0.8826000    
 H    6.471900      -2.005000      -1.361500    
 H    6.208400      -1.149200      0.8216000    
 H    4.902000      -2.180700       1.419500    
 H    4.729500     -0.4025000       1.336100    


%chk=000033696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033696

0 1
N -3.593996 -0.861410 -0.135823
N -1.761824 -1.840094 0.755814
N 4.726695 -1.594558 -0.419827
C -2.520353 0.023971 -0.369220
C -2.663132 1.279976 -1.184561
C -1.290399 1.758738 -1.734490
C -1.392974 -0.593073 0.197072
C 0.005182 -0.104508 0.277732
C -0.365110 2.268977 -0.640138
C 0.242580 1.377166 0.298076
C -3.084309 -1.976057 0.544001
C 1.008811 -1.031495 0.419219
C 2.501252 -0.804599 0.493869
C -0.112441 3.659655 -0.540006
C 1.068362 1.928050 1.316636
C -4.978282 -0.651397 -0.567484
C 3.258037 -1.795749 -0.427079
C -3.913960 -3.144601 0.984411
C 0.718384 4.190929 0.471119
C 1.309145 3.314993 1.408538
C 5.380853 -2.258092 -1.565902
C 5.363179 -1.967855 0.858845
H -3.344267 1.094605 -2.041204
H -3.119364 2.101581 -0.592932
H -1.467545 2.565925 -2.469101
H -0.821671 0.915154 -2.277121
H 0.682250 -2.081280 0.462421
H 2.843589 -0.952074 1.540673
H 2.779437 0.224791 0.208620
H -0.574031 4.334420 -1.272041
H 1.500217 1.253346 2.063035
H -5.321510 0.362111 -0.296332
H -5.087277 -0.778338 -1.661163
H -5.632224 -1.382412 -0.067192
H 2.982770 -2.846411 -0.141309
H 2.903483 -1.643112 -1.464132
H -3.245332 -3.862146 1.484240
H -4.703830 -2.855900 1.704536
H -4.403187 -3.661507 0.136786
H 0.898078 5.270404 0.527804
H 1.947008 3.707014 2.208655
H 4.942181 -1.888308 -2.509914
H 5.282324 -3.374788 -1.552756
H 6.458762 -2.013750 -1.571385
H 6.446915 -1.759549 0.804773
H 5.230402 -3.051344 1.115718
H 4.948618 -1.367999 1.686619


