%chk=000046281.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046281

0 1
 N  -0.5582000       1.032300      0.2310000    
 N  -0.3051000      -1.094100     -0.3641000    
 N   -5.492400      0.7867000      0.3461000    
 N    4.845500      -1.701500      0.5393000    
 C   -1.828600      0.5245000      0.1383000    
 C   0.3164000      2.8000001E-02 -7.8100003E-02
 C   -1.643900     -0.8039000     -0.2344000    
 C    1.744800      0.2308000     -7.5199999E-02
 C   -3.085100       1.095800      0.3422000    
 C   -2.768300      -1.626000     -0.4191000    
 C   -4.193200      0.2632000      0.1539000    
 C    2.599900     -0.8285000      0.2280000    
 C   -4.039900      -1.073800     -0.2199000    
 C    2.270100       1.487400     -0.3759000    
 C    3.980700     -0.6311000      0.2307000    
 C    3.650900       1.684700     -0.3731000    
 C    4.506200      0.6254000     -6.9799997E-02
 H  -0.3244000       1.980100      0.4964000    
 H   -3.190300       2.135800      0.6325000    
 H   -2.659500      -2.666000     -0.7095000    
 H    2.198300      -1.811400      0.4670000    
 H   -4.912600      -1.707700     -0.3621000    
 H    1.632900       2.330800     -0.6296000    
 H    4.060500       2.662300     -0.6100000    
 H    5.580400      0.7919000     -7.1400002E-02
 H   -6.301100      0.1942000      0.2134000    
 H   -5.612600       1.753500      0.6173000    
 H    4.465600      -2.613700      0.7544000    
 H    5.846800      -1.559600      0.5386000    


%chk=000046281-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046281

0 1
N -0.607942 1.147392 0.032490
N -0.280103 -1.110475 0.064410
N -5.591496 0.754622 0.044658
N 4.864403 -1.819404 0.067846
C -1.889244 0.586524 0.042474
C 0.333593 0.092936 0.045807
C -1.659902 -0.833667 0.063135
C 1.786397 0.308108 0.039623
C -3.175210 1.158826 0.035488
C -2.771502 -1.707842 0.077464
C -4.280183 0.264581 0.050060
C 2.630295 -0.829280 0.056507
C -4.063254 -1.157134 0.070901
C 2.360969 1.611201 0.016709
C 4.042879 -0.690578 0.050905
C 3.765375 1.747729 0.010841
C 4.608781 0.619637 0.027491
H -0.386430 2.139895 0.018433
H -3.333731 2.243112 0.019852
H -2.619215 -2.791366 0.093014
H 2.158933 -1.818241 0.073747
H -4.936016 -1.821593 0.081849
H 1.737060 2.512287 0.003856
H 4.211488 2.748763 -0.007160
H 5.698474 0.744904 0.022427
H -6.381426 0.117276 0.054035
H -5.777152 1.752472 0.030237
H 4.462384 -2.751806 0.085643
H 5.875573 -1.728782 0.064157


