PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2,3-dimethyl-2-butene
191 2,3-Dimethyl-2-butene
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ΔHf: -16.8 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
2,3-Dimethyl-2-butene
H=-16.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.49673844 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.34240917 +1 123.9462904 +1 0.0000000 +0 2 1 0
C 1.49671707 +1 123.8539408 +1 -179.9488152 +1 3 2 1
C 1.49672021 +1 112.1185325 +1 -179.9442803 +1 2 1 3
C 1.49643335 +1 123.9298876 +1 179.9679282 +1 3 2 4
H 1.09906243 +1 110.9350424 +1 119.8685754 +1 1 2 3
H 1.09911850 +1 110.9570993 +1 119.4056769 +1 1 2 7
H 1.09701591 +1 113.5423553 +1 120.2465336 +1 1 2 8
H 1.09904498 +1 110.9379565 +1 119.8454876 +1 4 3 2
H 1.09907244 +1 110.9687612 +1 119.4456909 +1 4 3 10
H 1.09708615 +1 113.5045228 +1 120.2236883 +1 4 3 11
H 1.09908470 +1 110.9750474 +1 -59.7862482 +1 5 2 1
H 1.09912230 +1 110.9594081 +1 119.4379959 +1 5 2 13
H 1.09714968 +1 113.5119900 +1 120.2295214 +1 5 2 14
H 1.09909144 +1 110.9535123 +1 120.2034384 +1 6 3 2
H 1.09911236 +1 110.9445363 +1 119.4532409 +1 6 3 16
H 1.09708754 +1 113.5215498 +1 120.2186836 +1 6 3 17