PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2,6-dimethylpyridine
520 2,6-Dimethylpyridine
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ΔHf: 13.4 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
2,6-Dimethylpyridine
H=13.42 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.49287945 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40474474 +1 121.1200550 +1 0.0000000 +0 2 1 0
C 1.39200626 +1 118.5233101 +1 -179.9511515 +1 3 2 1
C 1.39190661 +1 119.6118919 +1 0.0082327 +1 4 3 2
C 1.40467711 +1 118.5351522 +1 -0.0177851 +1 5 4 3
C 1.49286178 +1 121.1044049 +1 179.9700960 +1 6 5 4
N 1.34949012 +1 116.6760921 +1 -179.9579214 +1 2 1 3
H 1.09928271 +1 111.3028754 +1 -59.8547864 +1 1 2 3
H 1.09929645 +1 111.2766596 +1 120.4362004 +1 1 2 9
H 1.10350999 +1 111.7427262 +1 119.7713821 +1 1 2 10
H 1.08406166 +1 120.4079631 +1 179.9992640 +1 3 2 4
H 1.08994721 +1 120.1686306 +1 179.9911583 +1 4 3 5
H 1.08410370 +1 121.0745395 +1 -179.9993916 +1 5 4 6
H 1.09923328 +1 111.3158327 +1 59.5993836 +1 7 6 5
H 1.10352747 +1 111.7362685 +1 119.8063219 +1 7 6 15
H 1.09933236 +1 111.2616368 +1 119.7300741 +1 7 6 16