%chk=000054635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054635

0 1
 O   -4.026000     -0.5403000     -0.2849000    
 N   -7.411400      0.8490000      0.1568000    
 N    2.036800     -0.3269000      0.8994000    
 N    1.149500       1.455600     -0.4380000    
 C   -6.349800      1.4100000E-02 -0.4044000    
 C   -5.022300      0.3029000      0.2783000    
 C   -2.748100     -4.6599999E-02 -0.3232000    
 C    2.137700      0.8534000      0.1754000    
 C  -0.1547000      0.9527000     -0.3994000    
 C   -7.535100      0.6196000       1.595700    
 C   -8.682200      0.5797000     -0.5149000    
 C    3.523600       1.398900      0.1271000    
 C   -1.885400     -0.4488000      -1.336300    
 C   -2.327300      0.8502000      0.6522000    
 C  -0.5843000      5.2499998E-02  -1.374600    
 C   -1.026200       1.351600      0.6139000    
 C    2.158900      -1.664600      0.4640000    
 C    3.916000       2.110900     -0.9845000    
 C    4.361500       1.171100       1.196000    
 C    2.012100      -2.709000       1.375600    
 C    2.425100      -1.938600     -0.8766000    
 C    5.213400       2.621300      -1.029800    
 C    5.658800       1.681600       1.150900    
 C    6.084700       2.406600      3.7999999E-02
 C    2.131800      -4.030600      0.9456000    
 C    2.544700      -3.260100      -1.306700    
 C    2.398000      -4.306100     -0.3955000    
 H   -6.239500      0.2136000      -1.478300    
 H   -6.584300      -1.055600     -0.3173000    
 H   -5.050000      7.6099999E-02   1.348100    
 H   -4.790300       1.366400      0.1313000    
 H   -6.706400       1.066400       2.153700    
 H   -7.612600     -0.4444000       1.847400    
 H   -8.432500       1.116600       1.984700    
 H   -9.466900       1.244900     -0.1374000    
 H   -9.012200     -0.4564000     -0.3771000    
 H   -8.598700      0.7751000      -1.589900    
 H   -2.216500      -1.148500      -2.098400    
 H   -2.962800       1.162700       1.475100    
 H   8.3400004E-02 -0.2591000      -2.173200    
 H  -0.6979000       2.047500       1.381700    
 H    1.927100     -0.2360000       1.906500    
 H    3.252600       2.280700      -1.827100    
 H    4.056000      0.6265000       2.083600    
 H    1.803700      -2.508300       2.423400    
 H    2.547200      -1.143700      -1.607000    
 H    5.545800       3.184500      -1.897000    
 H    6.336500       1.518100       1.983900    
 H    7.094700       2.804500      3.1999999E-03
 H    2.017400      -4.845000       1.655000    
 H    2.752600      -3.474900      -2.350800    
 H    2.491300      -5.335100     -0.7303000    


%chk=000054635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054635

0 1
O -4.438827 0.006525 -0.564877
N -7.927005 0.952048 0.375031
N 1.842503 -0.800877 0.531706
N 1.056480 1.361144 -0.149964
C -6.818511 0.212700 -0.272568
C -5.464961 0.847774 0.075105
C -3.095124 0.382932 -0.407614
C 2.051149 0.525755 0.093588
C -0.306994 0.958746 -0.206463
C -8.113527 0.592254 1.795975
C -9.193337 0.876130 -0.381363
C 3.443595 1.064336 0.032933
C -2.146554 -0.450043 -1.052982
C -2.654789 1.515629 0.322987
C -0.772555 -0.174821 -0.947000
C -1.275558 1.799762 0.403584
C 2.615699 -1.970483 0.296615
C 3.731485 2.119264 -0.871882
C 4.464936 0.596658 0.901841
C 2.365423 -3.111834 1.107893
C 3.581834 -2.058779 -0.742724
C 5.021684 2.686665 -0.919791
C 5.753138 1.171302 0.857506
C 6.038652 2.212583 -0.056726
C 3.071570 -4.312539 0.888742
C 4.295020 -3.260004 -0.939694
C 4.048401 -4.394295 -0.131288
H -6.948891 0.260329 -1.368446
H -6.798242 -0.868897 0.007243
H -5.295567 0.873507 1.170881
H -5.420369 1.882246 -0.317437
H -7.171270 0.725070 2.355091
H -8.451246 -0.466036 1.938535
H -8.868949 1.257708 2.250556
H -9.947750 1.526819 0.096866
H -9.619459 -0.157632 -0.437620
H -9.036338 1.239611 -1.412066
H -2.508398 -1.303944 -1.634413
H -3.367912 2.184952 0.812876
H -0.054470 -0.814763 -1.471878
H -0.922931 2.686299 0.940129
H 0.900203 -0.972364 0.899446
H 2.924549 2.486785 -1.513602
H 4.248224 -0.201340 1.618687
H 1.623076 -3.050412 1.913366
H 3.767580 -1.200393 -1.394092
H 5.234583 3.498195 -1.624503
H 6.532526 0.808756 1.536813
H 7.041508 2.653038 -0.092966
H 2.863283 -5.182518 1.521698
H 5.038721 -3.312014 -1.742911
H 4.601215 -5.324837 -0.296921


