PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-iodo-2-methylpropane
5830 2-Iodo-2-methylpropane
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ΔHf: -17.2 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
2-Iodo-2-methylpropane
H=-17.2 HR=NIST
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.22524814 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52479519 +1 108.1538546 +1 0.0000000 +0 2 1 0
C 1.52488792 +1 108.1496008 +1 120.0216254 +1 2 1 3
C 1.52476841 +1 108.1512854 +1 120.0151156 +1 2 1 4
H 1.09896183 +1 110.4450211 +1 179.8802646 +1 3 2 1
H 1.09773138 +1 112.7367964 +1 119.2499606 +1 3 2 6
H 1.09794776 +1 112.6899430 +1 121.5768153 +1 3 2 7
H 1.09897134 +1 110.4447897 +1 -179.9928058 +1 4 2 1
H 1.09775229 +1 112.7438902 +1 119.2537048 +1 4 2 9
H 1.09793237 +1 112.6882933 +1 121.5772459 +1 4 2 10
H 1.09896304 +1 110.4407401 +1 179.9080925 +1 5 2 1
H 1.09772076 +1 112.7426963 +1 119.2502209 +1 5 2 12
H 1.09792569 +1 112.6976147 +1 121.5807323 +1 5 2 13