PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,2,3,6-tetrahydropyridine
496 1,2,3,6-Tetrahydropyridine
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ΔHf: 7.1 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
1,2,3,6-Tetrahydropyridine
H=7.1 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47677614 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54521166 +1 113.0673752 +1 0.0000000 +0 2 1 0
C 1.49474186 +1 111.5057381 +1 -42.3429683 +1 3 2 1
C 1.33574643 +1 122.9220914 +1 12.9773342 +1 4 3 2
C 1.48092493 +1 110.5079408 +1 59.0878843 +1 1 2 3
H 1.02016105 +1 110.1537233 +1 -121.9609203 +1 1 2 6
H 1.11230270 +1 108.0462742 +1 -121.9621159 +1 2 1 3
H 1.11011707 +1 108.1538508 +1 -115.0428498 +1 2 1 8
H 1.10770396 +1 109.5761735 +1 -122.6666931 +1 3 2 4
H 1.10923678 +1 110.1166566 +1 -115.6725408 +1 3 2 10
H 1.08794933 +1 115.0917163 +1 179.4661281 +1 4 3 5
H 1.08555417 +1 122.5065149 +1 -179.6381817 +1 5 4 3
H 1.11768189 +1 107.4937825 +1 76.5057723 +1 6 1 2
H 1.11301017 +1 108.2143650 +1 114.0243597 +1 6 1 14