PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
iodomethyl methyl sulfide
5879 Iodomethyl methyl sulfide
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ΔHf: 6.4 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 sulfide
H=6.4 HR=NIST
C 0.01847853 +1 0.01183631 +1 -0.03019148 +1
H 1.11666267 +1 0.04040761 +1 -0.06155576 +1
H -0.36876896 +1 1.04008410 +1 -0.02202115 +1
S -0.62346468 +1 -0.99944215 +1 1.33436555 +1
I -0.69298116 +1 -0.97387561 +1 -1.79351753 +1
H -0.43791975 +1 0.93106229 +1 2.83687767 +1
H 1.04859199 +1 -0.04260405 +1 2.85626238 +1
C -0.04365091 +1 -0.08907279 +1 2.79859382 +1
H -0.40871939 +1 -0.62096762 +1 3.68856473 +1