%chk=000046539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046539

0 1
 N  -0.3363000      0.1784000     -8.8799998E-02
 N   -2.507100       1.177900     -0.4185000    
 C   -2.677700     -0.2192000      5.1600002E-02
 C   -1.303000     -0.9102000     -0.1917000    
 C   -1.073600       1.426300     -0.2041000    
 C   -3.785300     -0.8902000     -0.7619000    
 C   -3.044900     -0.2367000       1.544900    
 C    1.027000      4.8200000E-02 -3.9299998E-02
 C    1.657000      -1.223000     -8.5800000E-02
 C    1.880500       1.178100      5.9999999E-02
 C    3.044800      -1.355100     -3.6600001E-02
 C    3.268200       1.046000      0.1092000    
 C    3.850300     -0.2206000      6.0899999E-02
 H   -1.120900      -1.692200      0.5539000    
 H   -1.247900      -1.348600      -1.195400    
 H  -0.7031000       2.024400      -1.044000    
 H  -0.9453000       2.012900      0.7138000    
 H   -3.070900       1.824300      0.1310000    
 H   -4.749400     -0.3905000     -0.6126000    
 H   -3.563800     -0.8687000      -1.835300    
 H   -3.902900      -1.939800     -0.4699000    
 H   -2.271800      0.2360000       2.161200    
 H   -3.986900      0.2929000       1.728800    
 H   -3.168000      -1.265000       1.903200    
 H    1.065200      -2.131900     -0.1667000    
 H    1.465100       2.182500      0.1040000    
 H    3.498600      -2.341100     -7.5300001E-02
 H    3.895900       1.929000      0.1861000    
 H    4.930900     -0.3235000      9.9100001E-02


%chk=000046539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046539

0 1
N -0.363466 0.195077 -0.066340
N -2.430076 1.111824 -0.502668
C -2.693164 -0.256790 0.050066
C -1.311793 -0.921445 -0.210428
C -1.043151 1.498675 -0.162728
C -3.829679 -0.936824 -0.734777
C -3.008116 -0.231277 1.574086
C 1.021330 0.056579 -0.030938
C 1.635770 -1.232451 -0.114405
C 1.870258 1.200940 0.099821
C 3.037858 -1.361734 -0.062913
C 3.270671 1.052027 0.145845
C 3.872102 -0.226187 0.067305
H -1.105000 -1.719985 0.526860
H -1.277063 -1.363842 -1.229018
H -0.604654 2.127726 -0.965814
H -0.943755 2.059762 0.801781
H -3.137081 1.811623 -0.245842
H -4.793504 -0.425323 -0.553453
H -3.618151 -0.898153 -1.816854
H -3.947841 -1.992703 -0.428428
H -2.173083 0.220982 2.140243
H -3.923466 0.358892 1.770200
H -3.174464 -1.251471 1.967492
H 1.017370 -2.128373 -0.230309
H 1.435059 2.203223 0.173279
H 3.482864 -2.361599 -0.131297
H 3.897936 1.945770 0.246745
H 4.960992 -0.334346 0.104288


