PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methoxyacetonitrile
929 Methoxyacetonitrile
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ΔHf: -8.5 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
Methoxyacetonitrile
H=-8.5 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.15550841 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.45358215 +1 179.5516884 +1 0.0000000 +0 2 1 0
O 1.42607065 +1 105.1584603 +1 179.6009648 +1 3 2 1
C 1.41599030 +1 112.2815088 +1 178.7806667 +1 4 3 2
H 1.11360381 +1 111.4681357 +1 -118.6926247 +1 3 2 4
H 1.11319843 +1 111.4659367 +1 -122.3494490 +1 3 2 6
H 1.09431671 +1 111.4177808 +1 62.0443916 +1 5 4 3
H 1.09433127 +1 111.3587977 +1 -124.8253271 +1 5 4 8
H 1.10006214 +1 102.2928472 +1 -117.5764671 +1 5 4 9