PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
benzo(f)quinoline
579 Benzo[f]quinoline
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ΔHf: 55.9 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Benzo[f]quinoline
H=55.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.37960492 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40670311 +1 120.2841904 +1 0.0000000 +0 2 1 0
C 1.37873468 +1 119.9413077 +1 -0.0411957 +1 3 2 1
C 1.41210688 +1 120.4546336 +1 0.0294246 +1 4 3 2
C 1.40905081 +1 119.7745920 +1 0.0274412 +1 5 4 3
C 1.44345786 +1 119.1100673 +1 179.9425482 +1 6 5 4
C 1.41498880 +1 119.1574315 +1 0.0517976 +1 7 6 5
C 1.44233179 +1 120.4475757 +1 -0.0134916 +1 8 7 6
C 1.35431764 +1 119.9491070 +1 -0.0295122 +1 9 8 7
N 1.36541098 +1 122.4150638 +1 179.9968565 +1 8 7 9
C 1.32864829 +1 118.8195470 +1 0.0057352 +1 11 8 7
C 1.41585481 +1 122.7043518 +1 -0.0109398 +1 12 11 8
C 1.37849638 +1 118.7300735 +1 -0.0172746 +1 13 12 11
H 1.08895303 +1 119.6433804 +1 179.9981771 +1 1 2 3
H 1.08878046 +1 120.3495034 +1 179.9995959 +1 2 1 3
H 1.08812817 +1 119.4360826 +1 -179.9854317 +1 3 2 4
H 1.08908618 +1 120.4291734 +1 179.9989972 +1 4 3 5
H 1.09170239 +1 117.3374213 +1 -179.9987504 +1 9 8 10
H 1.09073921 +1 121.0887124 +1 -179.9966349 +1 10 9 8
H 1.09679834 +1 116.2879371 +1 179.9959363 +1 12 11 13
H 1.08584350 +1 119.8146898 +1 179.9958633 +1 13 12 14
H 1.09053695 +1 120.2143690 +1 179.9982128 +1 14 13 12