PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,2-chloroiodoethane
5883 1,2-Chloroiodoethane
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ΔHf: -11.4 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
1,2-Chloroiodoethane
H=-11.4 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.10503353 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10506617 +1 107.7622841 +1 0.0000000 +0 1 2 0
C 1.50877086 +1 112.2293068 +1 -124.0616656 +1 1 2 3
I 2.16514863 +1 106.5101444 +1 -121.9416681 +1 1 2 4
H 1.10469417 +1 113.9350456 +1 179.6749542 +1 4 1 2
H 1.10489998 +1 113.8357517 +1 125.5322446 +1 4 1 6
Cl 1.78087137 +1 106.9912310 +1 117.0480108 +1 4 1 7