PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1-methoxy cyclohexene
795 1-Methoxy cyclohexene
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ΔHf: -38.5 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-Methoxy cyclohexene
H=-38.47 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41869387 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.36440314 +1 117.2794217 +1 0.0000000 +0 1 2 0
C 1.49815132 +1 107.3457914 +1 178.5185738 +1 3 1 2
C 1.53417584 +1 110.3034733 +1 164.0334573 +1 4 3 1
C 1.53399917 +1 110.1237867 +1 45.9618342 +1 5 4 3
C 1.53778278 +1 110.4057381 +1 -62.7090336 +1 6 5 4
C 1.33912618 +1 126.5173844 +1 -179.2916644 +1 3 1 4
H 1.09433449 +1 110.9227565 +1 -61.5144392 +1 2 1 3
H 1.09432012 +1 110.8913215 +1 123.9597774 +1 2 1 9
H 1.09766863 +1 102.5294628 +1 117.9983838 +1 2 1 10
H 1.10943002 +1 110.5002968 +1 -122.7208415 +1 4 3 5
H 1.11052638 +1 109.1911394 +1 -115.6171742 +1 4 3 12
H 1.10684414 +1 109.9104464 +1 -121.1088209 +1 5 4 6
H 1.10460793 +1 110.1454739 +1 -116.7431114 +1 5 4 14
H 1.10401610 +1 110.4147673 +1 -122.1079339 +1 6 5 7
H 1.10623694 +1 109.8096224 +1 -116.7709666 +1 6 5 16
H 1.11059968 +1 109.7801285 +1 -75.1070441 +1 7 6 5
H 1.10883856 +1 109.5111842 +1 -115.5308375 +1 7 6 18
H 1.08062437 +1 123.3494799 +1 -0.3408184 +1 8 3 1