%chk=000021454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021454

0 1
 N   -2.042800     -6.2000002E-03 -0.5296000    
 N    1.706600       1.976700     -0.1826000    
 C   -1.975800     -8.2500003E-02  0.9365000    
 C   -3.197200     -0.7534000      -1.048200    
 C   -3.246100      0.4792000       1.577100    
 C   -4.507400     -0.2138000     -0.4725000    
 C   -4.490700     -0.2270000       1.051900    
 C  -0.8026000     -0.5030000      -1.125000    
 C   0.3972000      0.2883000     -0.6853000    
 C    1.629500     -0.2511000     -0.2709000    
 C   0.4547000       1.646800     -0.6280000    
 C    2.445800      0.8375000      4.3499999E-02
 C    2.149200      -1.552700     -0.1257000    
 C    3.761100      0.6891000      0.4975000    
 C    3.463400      -1.716500      0.3274000    
 C    4.255100     -0.6115000      0.6338000    
 H   -1.142400      0.4994000       1.343400    
 H   -1.831900      -1.121000       1.264400    
 H   -3.107400      -1.823000     -0.8165000    
 H   -3.240700     -0.6591000      -2.140100    
 H   -3.319100       1.554000       1.367800    
 H   -3.192100      0.3685000       2.666100    
 H   -5.347800     -0.8147000     -0.8381000    
 H   -4.669500      0.8121000     -0.8272000    
 H   -4.501500      -1.264100       1.409100    
 H   -5.391900      0.2581000       1.442400    
 H  -0.8606000     -0.4218000      -2.218700    
 H  -0.6640000      -1.566800     -0.8933000    
 H  -0.2652000       2.419300     -0.8602000    
 H    2.040800       2.919900     -4.0500000E-02
 H    1.548200      -2.426500     -0.3598000    
 H    4.378300       1.548800      0.7361000    
 H    3.869700      -2.718000      0.4412000    
 H    5.273000     -0.7618000      0.9842000    


%chk=000021454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021454

0 1
N -2.064786 -0.143444 -0.355476
N 1.719839 1.971569 -0.068597
C -2.210333 -0.215501 1.121854
C -3.232196 -0.751840 -1.041549
C -3.481684 0.520448 1.589287
C -4.538526 -0.032800 -0.647274
C -4.734350 -0.051579 0.886367
C -0.777913 -0.723048 -0.819856
C 0.412340 0.138706 -0.468450
C 1.772766 -0.307135 -0.221295
C 0.421438 1.529200 -0.369647
C 2.573458 0.866492 0.028211
C 2.398504 -1.582793 -0.181875
C 3.955826 0.795354 0.309185
C 3.776241 -1.660187 0.100137
C 4.547367 -0.484071 0.342321
H -1.311377 0.233615 1.579942
H -2.258370 -1.285358 1.461429
H -3.327870 -1.843317 -0.791478
H -3.072368 -0.677610 -2.134077
H -3.379939 1.596687 1.347975
H -3.575605 0.430619 2.688804
H -5.394155 -0.516772 -1.156875
H -4.485510 1.015480 -1.000204
H -4.896895 -1.097060 1.222226
H -5.637298 0.522377 1.169116
H -0.847400 -0.834863 -1.921322
H -0.618165 -1.756259 -0.413118
H -0.411213 2.219525 -0.483907
H 1.992743 2.941498 0.070850
H 1.820592 -2.494906 -0.369439
H 4.552714 1.695617 0.495236
H 4.270112 -2.637830 0.134683
H 5.617913 -0.577615 0.557014


