%chk=000046829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046829

0 1
 N  -0.1227000      -1.288800     -0.2720000    
 C  -1.9099999E-02   1.131000      0.3857000    
 C    1.985200     -5.7000000E-02  0.3378000    
 C    1.207800      0.8755000       1.258000    
 C  -0.8777000     -0.1679000      0.3324000    
 C   0.6254000       1.483800     -0.9687000    
 C    1.939300      0.6883000      -1.004700    
 C    1.246200      -1.407900      0.2640000    
 C   -2.188900      0.1063000     -0.4182000    
 C  -0.8160000      -2.572500     -0.1662000    
 C   -2.979600       1.209100      0.2517000    
 H  -0.5783000       1.976300      0.7939000    
 H    3.013400     -0.2113000      0.6802000    
 H   0.9634000      0.4238000       2.224800    
 H    1.763800       1.802900       1.442000    
 H   -1.129000     -0.4380000       1.368700    
 H   0.8524000       2.556400      -1.004500    
 H  -8.7000001E-03   1.261300      -1.830800    
 H    1.988700      1.2400000E-02  -1.864800    
 H    2.783900       1.383200      -1.082600    
 H    1.822500      -2.083900     -0.3800000    
 H    1.226300      -1.853200       1.267900    
 H   -2.823400     -0.7865000     -0.4081000    
 H   -2.016800      0.3538000      -1.471100    
 H  -0.1988000      -3.378300     -0.5809000    
 H   -1.740500      -2.582700     -0.7501000    
 H   -1.051900      -2.827400      0.8730000    
 H   -3.047400       1.063800       1.334600    
 H   -2.559900       2.198800      5.0900001E-02
 H   -4.001600       1.221300     -0.1433000    


%chk=000046829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046829

0 1
N -0.097812 -1.240610 -0.250074
C 0.010470 1.159981 0.403871
C 2.038395 -0.066937 0.358287
C 1.263301 0.906218 1.280519
C -0.872088 -0.126442 0.381886
C 0.637846 1.468410 -0.990872
C 1.978051 0.652213 -1.023462
C 1.266479 -1.405337 0.320841
C -2.227869 0.087830 -0.341578
C -0.802647 -2.538115 -0.284136
C -3.086825 1.224754 0.256280
H -0.596711 1.999591 0.784146
H 3.074393 -0.257204 0.694646
H 1.022974 0.469262 2.268263
H 1.830087 1.842818 1.443383
H -1.106773 -0.377916 1.454776
H 0.831935 2.553332 -1.087788
H -0.033064 1.172372 -1.815172
H 1.983406 -0.078309 -1.851189
H 2.850996 1.319753 -1.149455
H 1.807281 -2.136749 -0.311370
H 1.231688 -1.828622 1.360414
H -2.816976 -0.846592 -0.288387
H -2.036134 0.277398 -1.415659
H -0.134090 -3.295963 -0.731157
H -1.707543 -2.484862 -0.911243
H -1.102216 -2.904679 0.731802
H -3.200845 1.105571 1.351008
H -2.648776 2.221037 0.069004
H -4.098935 1.220398 -0.187983


