PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-bromo-3-methyldiazirine
4128 3-Bromo-3-methyldiazirine
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ΔHf: 69.6 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
3-Bromo-3-methyldiazirine
H=69.6 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.24398321 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.49250245 +1 65.3453244 +1 0.0000000 +0 1 2 0
C 1.48517773 +1 122.7066349 +1 -107.1689971 +1 3 1 2
Br 1.90982900 +1 114.5460923 +1 102.2313334 +1 3 1 2
H 1.10415826 +1 111.9384750 +1 152.0422117 +1 4 3 1
H 1.10334121 +1 112.4003277 +1 32.3077248 +1 4 3 1
H 1.10414934 +1 111.8391356 +1 -87.5243818 +1 4 3 1