%chk=000059028.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059028

0 1
 N   -1.295200     -0.3271000     -0.7093000    
 N   -3.471100      0.3210000     -5.0500002E-02
 C    2.029900       2.463400     -0.4602000    
 C    3.099200       2.020700      0.5303000    
 C   0.7711000       1.612800     -0.3023000    
 C    3.513500      0.5756000      0.2593000    
 C    1.056900      0.1332000     -0.2348000    
 C    2.341400     -0.3545000      6.9200002E-02
 C   2.7000001E-03 -0.7734000     -0.4235000    
 C    2.552600      -1.739800      0.1420000    
 C   0.2238000      -2.147600     -0.3384000    
 C    1.498600      -2.630600     -5.8400001E-02
 C   -2.159500     -7.8400001E-02  0.2456000    
 C   -1.789100     -0.2465000       1.718400    
 C   -4.439300      0.5645000       1.016200    
 C   -3.935400      0.6067000      -1.403400    
 H    2.417000       2.372300      -1.483100    
 H    1.782700       3.519300     -0.3032000    
 H    2.712300       2.112700       1.553200    
 H    3.975700       2.674300      0.4585000    
 H   0.1055000       1.837500      -1.144100    
 H   0.2554000       1.906200      0.6206000    
 H    4.135900      0.2264000       1.091700    
 H    4.126000      0.5395000     -0.6503000    
 H    3.543900      -2.131800      0.3561000    
 H  -0.5916000      -2.850200     -0.4904000    
 H    1.673100      -3.700800      4.1000000E-03
 H  -0.7205000     -0.3602000       1.899100    
 H   -2.110400      0.6310000       2.286600    
 H   -2.296100      -1.133200       2.110700    
 H   -5.443500      0.7508000      0.6199000    
 H   -4.152700       1.446300       1.598100    
 H   -4.515700     -0.3015000       1.681300    
 H   -3.781700       1.665700      -1.633000    
 H   -4.999400      0.3748000      -1.520000    
 H   -3.398200      9.1000004E-03  -2.146800    


%chk=000059028-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059028

0 1
N -1.272427 0.001454 -0.291794
N -3.571883 0.284332 0.009513
C 2.237441 2.527365 -0.688837
C 3.421120 2.073678 0.193433
C 0.948443 1.775611 -0.292987
C 3.702834 0.573662 -0.039736
C 1.152085 0.275580 -0.116817
C 2.445590 -0.294275 0.019302
C -0.002984 -0.574735 -0.070279
C 2.586878 -1.696403 0.191074
C 0.163798 -1.980309 0.085766
C 1.453934 -2.535220 0.216878
C -2.333116 -0.171228 0.471727
C -2.307452 -0.803327 1.862767
C -4.776888 0.339755 0.844863
C -3.667725 0.960497 -1.293489
H 2.481034 2.320671 -1.750861
H 2.076929 3.618959 -0.599680
H 3.168467 2.248842 1.258923
H 4.328549 2.667201 -0.029408
H 0.144727 1.936294 -1.036687
H 0.553905 2.200639 0.654850
H 4.443105 0.199843 0.694258
H 4.172950 0.452065 -1.038782
H 3.591175 -2.125597 0.297085
H -0.721146 -2.627571 0.068257
H 1.572520 -3.618817 0.334159
H -1.270773 -1.062124 2.125303
H -2.696884 -0.104257 2.624933
H -2.912069 -1.727736 1.910931
H -5.665181 0.154639 0.212709
H -4.908370 1.331071 1.330417
H -4.759978 -0.430344 1.630266
H -3.851718 2.047635 -1.169786
H -4.496085 0.529280 -1.887641
H -2.713006 0.821068 -1.821431


