PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
acrylamine
928 Acrylamine
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ΔHf: -31.1 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
Acrylamine
H=-31.12 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.21581059 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.48156585 +1 124.2943961 +1 0.0000000 +0 2 1 0
C 1.33372829 +1 119.8138303 +1 -0.0539021 +1 3 2 1
N 1.38618820 +1 118.7798230 +1 179.9985870 +1 2 1 3
H 1.08627830 +1 117.1586726 +1 179.9985436 +1 3 2 4
H 1.08739565 +1 122.7315552 +1 -0.0002372 +1 4 3 2
H 1.08109439 +1 123.6332405 +1 179.9993065 +1 4 3 7
H 0.99206197 +1 123.5211420 +1 179.9961690 +1 5 2 1
H 1.00046113 +1 119.4946852 +1 -179.9954226 +1 5 2 9