%chk=000257876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257876

0 1
O 6.582480 -1.251147 -0.018622
O -6.580751 1.253213 0.028602
O 6.658424 0.909435 -0.103875
O -6.658618 -0.907789 0.100447
N 0.395393 0.056194 0.476865
N -0.394780 -0.057160 -0.474442
N 6.058164 -0.149752 -0.029817
N -6.057417 0.151305 0.033010
C 2.545243 1.222700 0.120620
C -2.545678 -1.223298 -0.125592
C 1.816645 0.011168 0.212510
C -1.816020 -0.011864 -0.209996
C 3.940196 1.151965 0.043446
C -3.940583 -1.151799 -0.048024
C 4.579417 -0.096016 0.052754
C -4.578699 0.096771 -0.049776
C 2.463350 -1.235960 0.211496
C -2.461631 1.235803 -0.201362
C 3.853780 -1.292463 0.134938
C -3.852018 1.293069 -0.124602
C 1.847230 2.538887 0.100702
C -1.848836 -2.540196 -0.113660
H 4.543009 2.065913 -0.026838
H -4.544192 -2.065636 0.016640
H 1.881947 -2.156942 0.274080
H -1.879399 2.156635 -0.258124
H 4.379904 -2.254092 0.135682
H -4.377306 2.255139 -0.119487
H 2.543277 3.390267 0.104182
H 1.218348 2.646718 -0.796765
H 1.192807 2.662559 0.978902
H -1.193022 -2.658332 -0.991615
H -1.221479 -2.654759 0.784024
H -2.545586 -3.390935 -0.124202


%chk=000257876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257876

0 1
O 6.502983 -1.403620 0.042435
O -6.502988 1.403273 -0.041304
O 6.758831 0.863482 0.083443
O -6.758614 -0.863829 -0.083558
N 0.373150 0.538603 0.012743
N -0.372937 -0.538368 -0.013461
N 6.029914 -0.202036 0.058036
N -6.029798 0.201746 -0.057650
C 2.616105 1.453423 0.052053
C -2.615815 -1.453367 -0.053075
C 1.780999 0.287401 0.023061
C -1.780824 -0.287285 -0.023510
C 4.016108 1.265740 0.063093
C -4.015840 -1.265820 -0.063836
C 4.553729 -0.037655 0.045831
C -4.553593 0.037508 -0.045750
C 2.349319 -1.020623 0.005847
C -2.349275 1.020675 -0.005491
C 3.738503 -1.193684 0.017192
C -3.738481 1.193602 -0.016556
C 2.028629 2.849213 0.070708
C -2.028187 -2.849078 -0.072619
H 4.698627 2.119534 0.084970
H -4.698273 -2.119672 -0.086116
H 1.671784 -1.878602 -0.016404
H -1.671827 1.878707 0.017171
H 4.204786 -2.181844 0.004601
H -4.204863 2.181707 -0.003329
H 2.826359 3.609954 0.087547
H 1.393057 3.025900 -0.814578
H 1.383045 2.997810 0.954015
H -1.382676 -2.997083 -0.956079
H -1.392504 -3.026212 0.812499
H -2.825832 -3.609899 -0.089828


