Accuracy
Isopentane
164 Isopentane
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Geometry predicted using PM7
ΔHf: -36.8 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
Isopentane
H=-36.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53369912 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53402903 +1 109.8345216 +1 0.0000000 +0 2 1 0
C 1.54123761 +1 111.1101349 +1 121.6223149 +1 2 1 3
C 1.52859864 +1 112.0253642 +1 71.7671884 +1 4 2 1
H 1.09523127 +1 111.3048995 +1 178.9820925 +1 1 2 3
H 1.09509746 +1 111.4757848 +1 120.0200419 +1 1 2 6
H 1.09507327 +1 111.2279989 +1 120.1110504 +1 1 2 7
H 1.11698103 +1 108.5740111 +1 119.5565048 +1 2 1 4
H 1.09511451 +1 111.4329296 +1 63.1182051 +1 3 2 1
H 1.09505335 +1 111.4084170 +1 120.2949278 +1 3 2 10
H 1.09547506 +1 111.1488662 +1 119.8101827 +1 3 2 11
H 1.10690661 +1 109.4604300 +1 121.7599173 +1 4 2 5
H 1.10569089 +1 109.7465782 +1 115.5848329 +1 4 2 13
H 1.09548370 +1 111.5533224 +1 -61.2364930 +1 5 4 2
H 1.09545226 +1 111.4697767 +1 120.1402284 +1 5 4 15
H 1.09562328 +1 111.1264088 +1 119.9735297 +1 5 4 16