PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
iodomethyl methyl ether
5846 Iodomethyl methyl ether
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ΔHf: -29.3 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
Iodomethyl methyl ether
H=-29.3 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.09655054 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10317001 +1 113.1831174 +1 0.0000000 +0 1 2 0
O 1.38445549 +1 113.6880789 +1 -118.0740226 +1 1 2 3
I 2.20416520 +1 106.2830329 +1 -125.5102687 +1 1 2 4
H 2.08181208 +1 98.6133569 +1 -16.6370766 +1 4 1 2
H 1.80301607 +1 64.5017766 +1 -96.8339133 +1 6 4 1
C 1.09452807 +1 34.4497548 +1 -35.3718947 +1 7 6 4
H 1.09924290 +1 109.9278047 +1 -122.5399414 +1 8 7 6