%chk=000046918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046918

1 1
 N    1.313100     -0.3932000      0.1925000    
 N   0.9341000       2.911500     -0.6807000    
 C   0.3566000      0.3450000     -0.7327000    
 C    1.160000      0.1390000       1.610100    
 C   0.9921000      -1.880700      0.1716000    
 C    2.743800     -0.1762000     -0.2789000    
 C   -1.093900      7.5199999E-02 -0.4026000    
 C    1.480200       1.617700       1.624500    
 C    1.946000      -2.609300       1.092900    
 C    2.890100     -0.7071000      -1.688200    
 C   0.6786000       1.779700     -0.7020000    
 C   -1.720600      -1.028100     -0.9572000    
 C   -1.766400      0.9365000      0.4481000    
 C   -3.058700      -1.277400     -0.6526000    
 C   -3.104600      0.6872000      0.7528000    
 C   -3.750600     -0.4198000      0.2024000    
 H   0.5017000     -2.3200000E-02  -1.752600    
 H   0.1683000     -9.7300000E-02   2.006100    
 H    1.905200     -0.3511000       2.242700    
 H  -4.4999998E-03  -2.027300      0.5975000    
 H   0.9968000      -2.270900     -0.8483000    
 H    2.999000      0.8831000     -0.3155000    
 H    3.444500     -0.6386000      0.4210000    
 H    1.781900       1.805300       2.670700    
 H    2.367400       1.985400       1.110000    
 H   0.6098000       2.275300       1.590800    
 H    1.686500      -3.675800       1.061200    
 H    2.992300      -2.567400      0.7843000    
 H    1.859300      -2.335600       2.146300    
 H    3.944900     -0.5945000      -1.973200    
 H    2.685800      -1.772800      -1.802300    
 H    2.343100     -0.1422000      -2.445800    
 H   -1.204600      -1.694900      -1.641500    
 H   -1.320400       1.815400      0.8940000    
 H   -3.563300      -2.136400      -1.085000    
 H   -3.645000       1.356100       1.416300    
 H   -4.793000     -0.6130000      0.4384000    


%chk=000046918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046918

1 1
N 1.337143 -0.385185 0.196848
N 0.825862 2.749929 -1.455461
C 0.252362 0.225532 -0.826739
C 1.127786 0.132611 1.648909
C 1.103866 -1.924615 0.200751
C 2.768831 -0.041229 -0.286223
C -1.198108 0.050240 -0.392848
C 1.533051 1.583765 1.940613
C 2.148195 -2.760017 0.952040
C 3.150897 -0.596614 -1.663857
C 0.587918 1.627064 -1.133270
C -1.930176 -1.070025 -0.868391
C -1.852152 1.017582 0.416213
C -3.283897 -1.240970 -0.508588
C -3.205376 0.844486 0.773584
C -3.921671 -0.287576 0.318909
H 0.428140 -0.361032 -1.747258
H 0.060588 -0.033377 1.869922
H 1.717948 -0.548296 2.282926
H 0.099566 -2.071913 0.630217
H 1.070191 -2.231658 -0.857797
H 2.840143 1.057240 -0.286238
H 3.442987 -0.423980 0.498102
H 1.278456 1.781547 2.997360
H 2.616233 1.758829 1.836642
H 0.997851 2.328353 1.332241
H 1.842228 -3.817880 0.863955
H 3.159704 -2.682209 0.520877
H 2.201239 -2.538545 2.030479
H 4.193687 -0.293504 -1.864259
H 3.119989 -1.697553 -1.718284
H 2.543736 -0.174938 -2.482629
H -1.456635 -1.797310 -1.539600
H -1.322351 1.920879 0.740585
H -3.843161 -2.102991 -0.885022
H -3.705167 1.597931 1.390130
H -4.974405 -0.414970 0.590260


