%chk=000223628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223628

0 1
O 0.505397 2.631350 0.211803
O -0.505400 -2.631293 0.212469
N 2.608874 1.029262 0.021636
N -2.608877 -1.029251 0.021897
C 1.376419 0.428776 0.082487
C -1.376422 -0.428751 0.082597
C 0.212044 1.451313 0.144411
C -0.212047 -1.451273 0.144785
C 1.118654 -0.911035 0.113622
C -1.118658 0.911067 0.113389
C 3.877317 0.365320 -0.101923
C -3.877318 -0.365338 -0.101832
C 4.964998 0.895542 0.619536
C -4.965007 -0.895387 0.619742
C 4.050535 -0.737698 -0.953213
C -4.050525 0.737479 -0.953383
C 6.221256 0.303214 0.488557
C -6.221262 -0.303087 0.488611
C 5.316362 -1.318590 -1.065656
C -5.316349 1.318348 -1.065977
C 6.400411 -0.804157 -0.348746
C -6.400407 0.804087 -0.348956
H 1.917874 -1.654671 0.144351
H -1.917878 1.654711 0.143927
H 2.634784 2.058755 0.117958
H -2.634789 -2.058720 0.118481
H 4.830930 1.750874 1.279419
H -4.830948 -1.750563 1.279829
H 3.213340 -1.132703 -1.529624
H -3.213322 1.132347 -1.529879
H 7.067494 0.705505 1.046176
H -7.067507 -0.705244 1.046317
H 5.455740 -2.178166 -1.722246
H -5.455719 2.177769 -1.722770
H 7.383173 -1.262894 -0.441682
H -7.383166 1.262804 -0.442010


%chk=000223628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223628

0 1
O 0.791362 2.620212 0.082990
O -0.791414 -2.620344 0.084346
N 2.675442 0.825794 -0.008953
N -2.675513 -0.825934 -0.008688
C 1.414868 0.288524 -0.006024
C -1.414926 -0.288700 -0.005890
C 0.364692 1.406282 0.031757
C -0.364751 -1.406452 0.032155
C 1.027514 -1.049083 0.015173
C -1.027573 1.048911 0.014848
C 3.963512 0.247031 -0.093671
C -3.963535 -0.247095 -0.093559
C 5.058995 1.046199 0.341356
C -5.059114 -1.046095 0.341532
C 4.215075 -1.046730 -0.626593
C -4.214936 1.046612 -0.626679
C 6.375394 0.553592 0.264281
C -6.375461 -0.553373 0.264303
C 5.539239 -1.528990 -0.696108
C -5.539049 1.528992 -0.696341
C 6.624717 -0.741947 -0.248533
C -6.624630 0.742114 -0.248718
H 1.735641 -1.876803 0.066396
H -1.735713 1.876650 0.065688
H 2.619014 1.861036 0.073955
H -2.619138 -1.861168 0.074370
H 4.868094 2.047021 0.747292
H -4.868332 -2.046874 0.747630
H 3.401822 -1.656053 -1.025191
H -3.401587 1.655800 -1.025298
H 7.206577 1.178990 0.607210
H -7.206725 -1.178640 0.607276
H 5.721734 -2.525173 -1.113761
H -5.721423 2.525134 -1.114144
H 7.648007 -1.127048 -0.305003
H -7.647879 1.127306 -0.305303


