PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethyl, cation
67 Ethyl, cation
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ΔHf: 216.0 kcal/mol, REF: J. C. Traeger, R. G. McLoughlin, J. Am. Chem. Soc., 103, 3647 (1981).
CHARGE=1 PM7
Ethyl, cation
H=216.0 HR=TM1981
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.40791460 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.12337358 +1 116.3062444 +1 0.0000000 +0 2 1 0
H 1.12251335 +1 116.4311805 +1 130.5721154 +1 2 1 3
H 1.14550663 +1 112.8450867 +1 -114.2703256 +1 2 1 3
H 1.10362043 +1 122.0796091 +1 24.7603524 +1 1 2 3
H 1.10368842 +1 122.0546736 +1 -155.1586227 +1 1 2 3