PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-bromonaphthalene
4123 2-Bromonaphthalene
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ΔHf: 42.0 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-Bromonaphthalene
H=41.97 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41244937 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42221572 +1 119.3643994 +1 0.0000000 +0 1 2 0
C 1.37090553 +1 120.2961304 +1 0.0108863 +1 3 1 2
C 1.42220818 +1 119.2280983 +1 0.0122128 +1 2 1 3
C 1.41791370 +1 120.3754193 +1 0.0057423 +1 4 3 1
C 1.42332318 +1 119.4244566 +1 179.9865125 +1 1 2 5
C 1.36688169 +1 119.0311968 +1 0.0061732 +1 7 1 2
C 1.42312644 +1 119.4396087 +1 -179.9632320 +1 2 1 3
C 1.41271828 +1 122.5015091 +1 0.0153575 +1 8 7 1
Br 1.89908702 +1 119.4211331 +1 -179.9944975 +1 8 7 1
H 1.08899788 +1 118.7665321 +1 179.9999543 +1 3 1 2
H 1.08896504 +1 120.8070079 +1 179.9975620 +1 4 3 1
H 1.08882730 +1 118.7328410 +1 179.9955574 +1 5 2 1
H 1.08889847 +1 118.8078456 +1 -179.9986225 +1 6 4 3
H 1.09019369 +1 118.5811783 +1 179.9996469 +1 7 1 2
H 1.08982365 +1 118.6814897 +1 -179.9876812 +1 9 2 1
H 1.09028720 +1 120.3293537 +1 -179.9944152 +1 10 8 7