PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-methyl pyridine
505 2-Methyl pyridine
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ΔHf: 23.6 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
2-Methyl pyridine
H=23.65 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.34993085 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40606331 +1 122.0474891 +1 0.0000000 +0 2 1 0
C 1.39102159 +1 118.7104661 +1 -0.0050664 +1 3 2 1
C 1.39439186 +1 119.4377005 +1 -0.0041476 +1 4 3 2
C 1.39991135 +1 118.3285181 +1 -0.0029896 +1 5 4 3
C 1.49221411 +1 116.8851000 +1 179.9996766 +1 2 1 3
H 1.08490296 +1 120.2760069 +1 179.9988684 +1 3 2 4
H 1.08967526 +1 120.2775500 +1 -179.9946046 +1 4 3 5
H 1.08472802 +1 121.0254947 +1 179.9972536 +1 5 4 6
H 1.09637393 +1 121.6798880 +1 179.9960805 +1 6 5 4
H 1.09948155 +1 111.3281910 +1 119.9133805 +1 7 2 1
H 1.09939307 +1 111.3641753 +1 120.3923300 +1 7 2 12
H 1.10368495 +1 111.7939137 +1 119.8424254 +1 7 2 13