%chk=000188944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188944

0 1
N -2.428725 1.875146 0.000024
N 2.428749 -1.875123 0.000002
C -0.703874 0.147732 -0.000027
C 0.703896 -0.147712 -0.000037
C -1.663694 -0.877656 -0.000025
C 1.663718 0.877677 -0.000021
C -1.133575 1.526424 -0.000007
C 1.133595 -1.526402 -0.000042
C -3.046244 -0.516260 0.000027
C 3.046265 0.516283 0.000014
C -1.204760 -2.258896 -0.000079
C 1.204781 2.258918 -0.000033
C -0.111558 2.571519 -0.000024
C 0.111581 -2.571497 -0.000092
C -3.380950 0.874806 0.000043
C 3.380970 -0.874784 0.000036
C -4.113709 -1.472041 0.000070
C 4.113731 1.472063 0.000030
C -4.763635 1.275608 0.000077
C 4.763659 -1.275585 0.000098
C -5.420899 -1.063595 0.000112
C 5.420920 1.063619 0.000078
C -5.749733 0.328209 0.000110
C 5.749755 -0.328187 0.000117
H -1.967249 -3.041323 -0.000124
H 1.967270 3.041344 -0.000056
H -0.467258 3.605378 -0.000032
H 0.467283 -3.605356 -0.000152
H -3.860734 -2.533144 0.000074
H 3.860753 2.533166 0.000005
H -4.984628 2.344779 0.000076
H 4.984651 -2.344756 0.000123
H -6.233631 -1.789201 0.000155
H 6.233653 1.789224 0.000094
H -6.801489 0.614954 0.000128
H 6.801512 -0.614929 0.000159


%chk=000188944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188944

0 1
N -2.457458 1.892072 0.000029
N 2.457480 -1.892049 0.000012
C -0.702924 0.145699 0.000025
C 0.702946 -0.145677 0.000023
C -1.674794 -0.902213 0.000020
C 1.674817 0.902236 0.000026
C -1.147265 1.527957 0.000030
C 1.147287 -1.527935 0.000014
C -3.073227 -0.532375 0.000026
C 3.073249 0.532398 0.000025
C -1.207033 -2.274361 0.000007
C 1.207055 2.274383 0.000031
C -0.143621 2.571857 0.000033
C 0.143643 -2.571835 0.000005
C -3.405661 0.885130 0.000029
C 3.405682 -0.885108 0.000019
C -4.147861 -1.482221 0.000032
C 4.147884 1.482243 0.000029
C -4.783698 1.287728 0.000031
C 4.783720 -1.287706 0.000018
C -5.479205 -1.061198 0.000036
C 5.479227 1.061221 0.000028
C -5.802685 0.336282 0.000034
C 5.802707 -0.336260 0.000023
H -1.935321 -3.090848 -0.000003
H 1.935343 3.090870 0.000033
H -0.509189 3.603377 0.000036
H 0.509211 -3.603354 -0.000003
H -3.926807 -2.554545 0.000037
H 3.926829 2.554567 0.000033
H -4.987097 2.362788 0.000033
H 4.987119 -2.362766 0.000014
H -6.288257 -1.800196 0.000042
H 6.288280 1.800218 0.000031
H -6.853432 0.647013 0.000037
H 6.853454 -0.646990 0.000023


