%chk=000046089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046089

2 1
 N    4.026300      0.4541000      0.1795000    
 N   -3.906000     -0.2577000      2.0700000E-02
 C    2.527700      0.5004000      0.4405000    
 C    4.524600     -0.9756000      0.3340000    
 C    1.791400     -0.3961000     -0.5493000    
 C    4.310400      0.9402000      -1.234400    
 C    4.742900       1.351700       1.178100    
 C   -2.467600     -0.2925000     -0.1230000    
 C   0.2907000     -0.3589000     -0.3982000    
 C   -4.556500       1.148800     -0.1694000    
 C   -4.354100     -0.7205000       1.436300    
 C   -4.611100      -1.170800      -1.022700    
 C    6.014500      -1.014900      7.3600002E-02
 C   -1.717300      -1.224400      0.5943000    
 C   -1.830200      0.6063000     -0.9785000    
 C  -0.3296000      -1.257900      0.4558000    
 C  -0.4426000      0.5729000      -1.116700    
 C   -4.013400       2.094800      0.8792000    
 H    2.203900       1.544700      0.3512000    
 H    2.360100      0.1760000       1.474900    
 H    4.279900      -1.320200       1.344600    
 H    4.041200      -1.618000     -0.4049000    
 H    2.016100     -0.1333000      -1.588500    
 H    2.079100      -1.446600     -0.4407000    
 H    3.687400       1.818600      -1.431400    
 H    5.360200       1.238300      -1.313400    
 H    4.098900      0.1449000      -1.954500    
 H    4.655800      0.9077000       2.174200    
 H    5.789500       1.479700      0.8918000    
 H    4.254000       2.331300       1.162300    
 H   -4.371500       1.491600      -1.191800    
 H   -5.641600       1.034400     -5.5399999E-02
 H   -4.265600      -1.810100       1.493300    
 H   -3.736300     -0.2350000       2.197800    
 H   -5.409400     -0.4610000       1.571100    
 H   -4.226700      -2.187500     -0.8969000    
 H   -5.688400      -1.143900     -0.8340000    
 H   -4.378900     -0.7898000      -2.021700    
 H    6.350100      -2.056900      0.1442000    
 H    6.298400     -0.6774000     -0.9262000    
 H    6.598400     -0.4680000      0.8182000    
 H   -2.162700      -1.961200       1.253900    
 H   -2.365300       1.333300      -1.578700    
 H   0.2458000      -1.989100       1.016500    
 H   4.5000002E-02   1.274400      -1.787700    
 H   -4.365800       3.108300      0.6544000    
 H   -4.387700       1.864600       1.881300    
 H   -2.923300       2.145700      0.9239000    


%chk=000046089-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046089

2 1
N 4.104077 0.470098 0.019054
N -4.046018 -0.213572 0.040279
C 2.558842 0.443042 0.191773
C 4.701058 -0.919598 0.398217
C 1.798094 -0.590279 -0.674448
C 4.475590 0.843348 -1.415069
C 4.640901 1.548997 0.964587
C -2.525180 -0.277778 -0.082109
C 0.289589 -0.459727 -0.452408
C -4.539509 1.272287 0.138445
C -4.576636 -0.983412 1.250289
C -4.671803 -0.846874 -1.217157
C 6.231497 -0.988053 0.422730
C -1.751087 -1.065353 0.794869
C -1.903680 0.428859 -1.137526
C -0.353039 -1.149946 0.603415
C -0.507600 0.337786 -1.312796
C -4.019543 2.027720 1.362044
H 2.211241 1.464782 -0.042910
H 2.376211 0.255187 1.264658
H 4.279735 -1.160824 1.390360
H 4.300372 -1.634124 -0.339332
H 2.019149 -0.433841 -1.744863
H 2.108806 -1.617148 -0.415050
H 3.949809 1.770631 -1.691090
H 5.560205 1.009730 -1.475891
H 4.194519 0.028917 -2.097809
H 4.438857 1.252287 2.005240
H 5.722878 1.664044 0.814720
H 4.137595 2.502209 0.740608
H -4.222076 1.761880 -0.795885
H -5.641741 1.212195 0.135059
H -4.360955 -2.054952 1.128303
H -4.119379 -0.601225 2.172162
H -5.666176 -0.835317 1.293807
H -4.306117 -1.879778 -1.314266
H -5.767208 -0.838063 -1.108202
H -4.382565 -0.266275 -2.104100
H 6.511656 -2.028448 0.665766
H 6.692100 -0.760177 -0.552899
H 6.685897 -0.350725 1.198200
H -2.196300 -1.630329 1.616377
H -2.477021 1.042532 -1.839434
H 0.228081 -1.789019 1.278075
H -0.048068 0.875924 -2.149469
H -4.350462 3.077608 1.275385
H -4.426270 1.645204 2.312315
H -2.917625 2.034970 1.413577


