PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-bromonaphthalene
4122 1-Bromonaphthalene
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ΔHf: 41.7 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
1-Bromonaphthalene
H=41.66 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41647322 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42213314 +1 118.5736802 +1 0.0000000 +0 1 2 0
C 1.37149471 +1 120.7380918 +1 -0.0057594 +1 3 1 2
C 1.42220576 +1 119.5938651 +1 -0.0036488 +1 2 1 3
C 1.41623145 +1 120.5387310 +1 -0.0010198 +1 4 3 1
C 1.42016921 +1 117.2160102 +1 179.9988696 +1 1 2 5
C 1.36854736 +1 122.5909042 +1 0.0054848 +1 7 1 2
C 1.42281014 +1 119.9877888 +1 179.9925528 +1 2 1 3
C 1.41698244 +1 119.3943183 +1 -0.0033234 +1 8 7 1
Br 1.90245753 +1 120.1814244 +1 -179.9942020 +1 7 1 2
H 1.09007612 +1 119.7475320 +1 -179.9971520 +1 3 1 2
H 1.08940295 +1 120.6011322 +1 -179.9995804 +1 4 3 1
H 1.08901636 +1 118.6289071 +1 -179.9941429 +1 5 2 1
H 1.08892417 +1 118.9916086 +1 -179.9969783 +1 6 4 3
H 1.09093358 +1 122.1735338 +1 179.9966581 +1 8 7 1
H 1.08968718 +1 118.5869065 +1 179.9995811 +1 9 2 1
H 1.08934842 +1 118.7537819 +1 179.9978237 +1 10 8 7