%chk=000205502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205502

0 1
N 2.702785 -0.355705 0.013948
N -3.728902 -1.442921 0.308743
C 2.986545 1.032945 -0.479650
C 3.627489 -0.725955 1.137272
C 4.435116 1.120864 -0.988131
C 5.086204 -0.662249 0.654060
C 5.429404 0.730761 0.112377
C 1.271926 -0.489926 0.441944
C 0.409473 -0.738709 -0.812558
C -1.024910 -0.964124 -0.431072
C -1.912310 0.145902 -0.203606
C -1.512882 -2.244411 -0.283186
C -3.258277 -0.139868 0.166157
C -1.519563 1.514667 -0.328799
C -2.879568 -2.441905 0.088420
C -4.180077 0.932799 0.406335
C -2.417082 2.526155 -0.094458
C -3.762339 2.231737 0.278058
H 2.811231 1.808278 0.297107
H 2.286667 1.245435 -1.316749
H 3.386835 -1.766851 1.445204
H 3.497144 -0.080019 2.031812
H 4.640757 2.143025 -1.353041
H 4.559812 0.444607 -1.857899
H 5.241081 -1.418617 -0.141836
H 5.764380 -0.934901 1.482462
H 6.461272 0.741877 -0.284453
H 5.405992 1.475305 0.930145
H 0.891590 0.391013 1.001833
H 1.171118 -1.362215 1.125069
H 0.504436 0.107411 -1.523810
H 0.820723 -1.611053 -1.366479
H -0.880143 -3.114077 -0.442912
H -0.492750 1.740765 -0.616607
H -3.269042 -3.461672 0.204232
H -5.203040 0.677375 0.687996
H -2.119626 3.569150 -0.189797
H -4.448669 3.059108 0.456569


%chk=000205502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205502

0 1
N 2.728166 -0.325543 0.036774
N -3.779671 -1.484283 0.272074
C 3.073118 0.965488 -0.612126
C 3.602008 -0.587507 1.211682
C 4.543780 0.982148 -1.077401
C 5.087720 -0.626167 0.800849
C 5.496767 0.691541 0.104432
C 1.290852 -0.435910 0.373724
C 0.408040 -0.709412 -0.879120
C -1.045536 -0.943513 -0.511815
C -1.944541 0.146015 -0.200085
C -1.556070 -2.245626 -0.424010
C -3.305472 -0.177941 0.188765
C -1.564227 1.528121 -0.260359
C -2.912762 -2.468500 -0.032527
C -4.220104 0.877213 0.505854
C -2.477985 2.538290 0.050874
C -3.815724 2.212030 0.440145
H 2.900370 1.823077 0.093777
H 2.407995 1.118262 -1.481647
H 3.305014 -1.556943 1.653825
H 3.463171 0.197429 2.002713
H 4.773499 1.964800 -1.532778
H 4.677445 0.209427 -1.858792
H 5.242457 -1.475156 0.107181
H 5.711961 -0.805679 1.697346
H 6.544589 0.637095 -0.246534
H 5.442891 1.525715 0.834800
H 0.912769 0.472007 0.908809
H 1.167983 -1.287173 1.069650
H 0.496522 0.132515 -1.590893
H 0.821028 -1.600700 -1.383275
H -0.917124 -3.104792 -0.656317
H -0.545222 1.795944 -0.559630
H -3.302342 -3.491914 0.032735
H -5.235716 0.590600 0.795704
H -2.171621 3.588894 -0.003009
H -4.521227 3.014149 0.683304


