PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
5-methyl isoxazole
935 5-Methyl isoxazole
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ΔHf: 8.1 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
5-Methyl isoxazole
H=8.14 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.37172027 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.44676093 +1 104.5857304 +1 0.0000000 +0 1 2 0
N 1.32575814 +1 109.4695724 +1 0.0132732 +1 3 1 2
O 1.37593081 +1 108.6130218 +1 0.0041838 +1 4 3 1
C 1.46334347 +1 135.5692399 +1 -179.9939368 +1 2 1 3
H 1.07826010 +1 126.6836984 +1 179.9973294 +1 3 1 4
H 1.06612907 +1 129.4255007 +1 -179.9932520 +1 1 2 3
H 1.10473419 +1 111.8056862 +1 119.6803784 +1 6 2 1
H 1.10469636 +1 111.8346535 +1 119.5285607 +1 6 2 9
H 1.10247387 +1 111.9033650 +1 120.2722902 +1 6 2 10