%chk=000245515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245515

0 1
O 2.092114 -1.345893 -0.005661
O -2.092106 1.345306 -0.011629
N 2.994046 0.747226 -0.006951
N -2.994037 -0.747794 -0.002930
C 0.552883 0.527408 -0.006094
C -0.552875 -0.527976 -0.003430
C 1.916336 -0.137053 -0.006167
C -1.916328 0.136477 -0.006499
C 4.383096 0.246379 -0.007212
C -4.383086 -0.246955 -0.005671
H 0.435036 1.197900 0.873514
H 0.433660 1.194791 -0.887958
H -0.434892 -1.194170 0.879421
H -0.433789 -1.199653 -0.882045
H 2.875904 1.751421 -0.007531
H -2.875895 -1.751982 0.001025
H 4.922671 0.587500 0.891265
H 4.922783 0.588731 -0.905140
H 4.392843 -0.863469 -0.007940
H -4.921862 -0.591095 -0.903478
H -4.392831 0.862889 -0.008710
H -4.923570 -0.586289 0.892921


%chk=000245515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245515

0 1
O 2.108374 -1.429628 -0.007062
O -2.108364 1.429035 -0.013307
N 3.017508 0.714629 -0.006395
N -3.017499 -0.715196 -0.002776
C 0.571467 0.511836 -0.006431
C -0.571458 -0.512407 -0.003824
C 1.947330 -0.170864 -0.006581
C -1.947321 0.170285 -0.007187
C 4.414830 0.266322 -0.006882
C -4.414821 -0.266895 -0.005264
H 0.480271 1.175674 0.873958
H 0.478633 1.172645 -0.888917
H -0.480163 -1.171865 0.879837
H -0.478723 -1.177590 -0.883031
H 2.819778 1.717044 -0.006013
H -2.819769 -1.717600 0.001972
H 4.952665 0.617184 0.893996
H 4.952768 0.619835 -0.906647
H 4.402766 -0.835302 -0.008451
H -4.952219 -0.622319 -0.904617
H -4.402757 0.834723 -0.009293
H -4.953196 -0.615846 0.896016


