PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
5-ethyl-2-methyl-pyridine
534 5-Ethyl-2-methyl-pyridine
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ΔHf: 8.3 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
5-Ethyl-2-methyl-pyridine
H=8.34 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.38883707 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40005668 +1 119.8951213 +1 0.0000000 +0 2 1 0
C 1.40209153 +1 117.5619946 +1 0.0194268 +1 3 2 1
N 1.34553854 +1 122.9960452 +1 -0.0035024 +1 4 3 2
C 1.34779321 +1 119.0034089 +1 -0.0098665 +1 5 4 3
C 1.49259073 +1 117.0276613 +1 -179.9894648 +1 6 5 4
C 1.49518955 +1 119.1562425 +1 -179.9625589 +1 3 2 4
C 1.52786184 +1 114.6561527 +1 -179.5633323 +1 8 3 2
H 1.08517917 +1 120.9747580 +1 179.9910178 +1 1 2 3
H 1.08932720 +1 120.0553834 +1 -179.9927159 +1 2 1 3
H 1.09620519 +1 122.0583570 +1 179.9989775 +1 4 3 5
H 1.09907548 +1 111.3267409 +1 120.0119153 +1 7 6 5
H 1.09910966 +1 111.3255489 +1 120.5045471 +1 7 6 13
H 1.10356334 +1 111.6925123 +1 119.7425611 +1 7 6 14
H 1.11332552 +1 109.1089473 +1 -122.7368104 +1 8 3 9
H 1.11329525 +1 109.1468428 +1 -114.5299785 +1 8 3 16
H 1.09661328 +1 111.6619310 +1 60.3748045 +1 9 8 3
H 1.09656044 +1 111.6673214 +1 -121.0785365 +1 9 8 18
H 1.09691625 +1 110.9100743 +1 -119.4646020 +1 9 8 19