PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cis-2,3-epoxybicyclo(2.2.1)heptane
793 cis-2,3-Epoxybicyclo[2.2.1]heptane
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ΔHf: -12.9 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
cis-2,3-Epoxybicyclo[2.2.1]heptane
H=-12.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53847366 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.50814160 +1 104.7919482 +1 0.0000000 +0 2 1 0
C 1.53841527 +1 104.8047834 +1 0.0298524 +1 3 2 1
C 1.55653605 +1 104.8759167 +1 71.1397052 +1 4 3 2
C 1.55662535 +1 104.8601671 +1 -71.2004762 +1 1 2 3
C 1.55972797 +1 101.9824130 +1 -104.7017182 +1 4 3 5
H 1.08987704 +1 115.5510086 +1 -128.2865256 +1 1 2 6
O 1.43072087 +1 58.1924485 +1 -109.2381615 +1 3 2 4
H 1.07599062 +1 120.7370170 +1 153.0673987 +1 2 1 3
H 1.08994458 +1 115.5594809 +1 -126.9821531 +1 4 3 7
H 1.09849994 +1 110.9542652 +1 169.9773833 +1 5 4 3
H 1.09757316 +1 112.0369737 +1 -119.3873253 +1 5 4 12
H 1.09849302 +1 110.9504412 +1 -169.9644944 +1 6 1 2
H 1.09754501 +1 112.0341798 +1 119.3851979 +1 6 1 14
H 1.09751347 +1 113.5046505 +1 -66.1040242 +1 7 4 3
H 1.07606514 +1 127.6706664 +1 -100.1799729 +1 3 2 9
H 1.09334450 +1 113.6427759 +1 -123.6369293 +1 7 4 16