PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-methyl isoxazole
934 3-Methyl isoxazole
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ΔHf: 8.5 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
3-Methyl isoxazole
H=8.52 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.36682035 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.37707931 +1 109.6430535 +1 0.0000000 +0 2 1 0
N 1.37618314 +1 108.2778689 +1 -0.0047829 +1 3 2 1
C 1.33068413 +1 108.5512336 +1 -0.0114391 +1 4 3 2
C 1.47412441 +1 124.4092838 +1 -179.9989051 +1 5 4 3
H 1.06643545 +1 129.9661798 +1 -179.9986204 +1 1 2 3
H 1.06636820 +1 135.5435864 +1 -179.9999961 +1 2 1 3
H 1.10216719 +1 111.3804155 +1 120.3033283 +1 6 5 4
H 1.10218976 +1 111.3882011 +1 119.8589712 +1 6 5 9
H 1.10386067 +1 112.1842175 +1 120.0726922 +1 6 5 10