%chk=000200601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200601

0 1
N 1.443450 1.275467 -0.163960
N -1.443590 1.275640 0.162950
C 0.627787 0.047853 -0.446012
C 0.624632 2.500019 -0.453072
C -0.627948 0.048287 0.446170
C -0.624759 2.500453 0.450901
C 2.698510 1.287567 -0.988982
C -2.698635 1.288536 0.987974
C 3.624993 0.171360 -0.567042
C -3.625081 0.171892 0.567125
C 3.905676 -0.042965 0.791471
C -3.905922 -0.043612 -0.791166
C 4.234675 -0.636394 -1.537791
C -4.234555 -0.635093 1.538642
C 4.788968 -1.054966 1.172326
C -4.789175 -1.056014 -1.171044
C 5.121350 -1.646087 -1.150823
C -5.121192 -1.645193 1.152651
C 5.400415 -1.857325 0.202364
C -5.400421 -1.857603 -0.200319
H 1.248931 -0.842904 -0.205243
H 0.329550 -0.035731 -1.513562
H 0.312950 2.571321 -1.518174
H 1.240283 3.395492 -0.223959
H -1.249112 -0.842682 0.206246
H -0.329717 -0.034284 1.513800
H -0.313077 2.572760 1.515935
H -1.240402 3.395714 0.220939
H 3.217429 2.258885 -0.805956
H 2.497336 1.242106 -2.082432
H -3.217567 2.259665 0.804000
H -2.497452 1.244145 2.081465
H 3.417678 0.579657 1.542960
H -3.418070 0.578407 -1.543248
H 4.021962 -0.482562 -2.593232
H -4.021710 -0.480347 2.593923
H 5.002673 -1.219571 2.226879
H -5.003004 -1.221535 -2.225429
H 5.594083 -2.269511 -1.907456
H -5.593765 -2.268018 1.909876
H 6.090030 -2.643317 0.501242
H -6.090006 -2.643910 -0.498436


%chk=000200601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200601

0 1
N 1.418036 1.168495 -0.294798
N -1.418142 1.168739 0.293849
C 0.596001 -0.052927 -0.483640
C 0.594392 2.385138 -0.488576
C -0.596075 -0.052481 0.483858
C -0.594529 2.385594 0.486426
C 2.648039 1.168347 -1.117553
C -2.648113 1.169376 1.116657
C 3.685924 0.151983 -0.645905
C -3.686007 0.152555 0.646025
C 3.877001 -0.092807 0.737619
C -3.877256 -0.093405 -0.737268
C 4.508482 -0.524024 -1.580093
C -4.508393 -0.522724 1.580891
C 4.874704 -0.990412 1.176987
C -4.874957 -0.991443 -1.175750
C 5.512028 -1.419801 -1.143246
C -5.511937 -1.418937 1.144928
C 5.699153 -1.655416 0.238096
C -5.699232 -1.655719 -0.236190
H 1.227454 -0.938821 -0.292286
H 0.211044 -0.121956 -1.532696
H 0.197496 2.454885 -1.533417
H 1.223951 3.275391 -0.299627
H -1.227505 -0.938575 0.293360
H -0.211110 -0.120495 1.532978
H -0.197624 2.456379 1.531193
H -1.224120 3.275640 0.296609
H 3.085226 2.185635 -1.046746
H 2.430460 0.993778 -2.202767
H -3.085308 2.186594 1.044887
H -2.430483 0.995857 2.202030
H 3.223079 0.421800 1.450440
H -3.223460 0.420643 -1.450608
H 4.362484 -0.351376 -2.654181
H -4.362264 -0.349166 2.654813
H 5.011310 -1.172154 2.249471
H -5.011698 -1.174092 -2.248063
H 6.140806 -1.936027 -1.877834
H -6.140580 -1.934589 1.880034
H 6.474003 -2.351619 0.578810
H -6.474082 -2.352259 -0.576216


