Accuracy
2,2'-biquinoline
677 2,2'-Biquinoline
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Geometry predicted using PM7
ΔHf: 101.8 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
2,2'-Biquinoline
H=101.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.36918025 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42735065 +1 119.5537163 +1 0.0000000 +0 2 1 0
C 1.41831765 +1 119.8668673 +1 -0.0232971 +1 3 2 1
C 1.41930912 +1 119.0178264 +1 -0.0149187 +1 4 3 2
C 1.37096009 +1 120.2094195 +1 0.0223942 +1 5 4 3
N 1.37225730 +1 118.2627995 +1 179.9859812 +1 3 2 4
C 1.32694609 +1 118.9780491 +1 -179.9712041 +1 7 3 2
C 1.43005956 +1 122.6546211 +1 -0.0136716 +1 8 7 3
C 1.36918243 +1 118.9281458 +1 0.0007915 +1 9 8 7
C 1.48682670 +1 116.7053872 +1 -179.9989413 +1 8 7 9
C 1.43009207 +1 120.6204591 +1 0.2287195 +1 11 8 7
C 1.36915623 +1 118.9205266 +1 -179.9953039 +1 12 11 8
C 1.42124826 +1 119.6737436 +1 0.0049334 +1 13 12 11
C 1.41828729 +1 117.8929189 +1 0.0026934 +1 14 13 12
N 1.32687289 +1 116.7155261 +1 -179.9848976 +1 11 8 12
C 1.42727033 +1 119.8635899 +1 179.9863045 +1 15 14 13
C 1.36915650 +1 119.5587450 +1 0.0061820 +1 17 15 14
C 1.41967930 +1 120.6814516 +1 0.0102567 +1 18 17 15
C 1.37100577 +1 120.6671882 +1 -0.0058242 +1 19 18 17
H 1.08953087 +1 120.6763341 +1 -179.9828327 +1 1 2 3
H 1.09042210 +1 122.1999842 +1 179.9856878 +1 2 1 3
H 1.08891988 +1 118.8090138 +1 -179.9961148 +1 5 4 6
H 1.08908823 +1 120.7333433 +1 -179.9940707 +1 6 5 4
H 1.09274490 +1 118.8418495 +1 179.9914265 +1 9 8 10
H 1.08961526 +1 121.2083227 +1 -179.9987523 +1 10 9 8
H 1.09268664 +1 118.8524297 +1 179.9949999 +1 12 11 13
H 1.08962858 +1 121.1957903 +1 179.9947245 +1 13 12 14
H 1.09042532 +1 118.2294169 +1 -179.9968409 +1 17 15 18
H 1.08954338 +1 120.6905464 +1 -179.9991337 +1 18 17 19
H 1.08912108 +1 118.6072644 +1 179.9972830 +1 19 18 20
H 1.08892432 +1 120.9876805 +1 179.9943493 +1 20 19 18