PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-norbornanone
792 2-Norbornanone
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ΔHf: -40.8 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
2-Norbornanone
H=-40.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.55046608 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52413574 +1 101.8680212 +1 0.0000000 +0 2 1 0
C 1.53199144 +1 106.7724750 +1 -2.0696147 +1 3 2 1
C 1.55138175 +1 104.8489141 +1 72.3949440 +1 4 3 2
C 1.55269134 +1 107.5650444 +1 -69.5009613 +1 1 2 3
C 1.55256049 +1 100.4258455 +1 -105.3859417 +1 4 3 5
H 1.09171020 +1 114.4387078 +1 -128.4920975 +1 1 2 6
H 1.10112896 +1 112.3675944 +1 -119.1828669 +1 2 1 3
H 1.09968656 +1 113.3341056 +1 -120.4463781 +1 2 1 9
O 1.19601568 +1 126.5459470 +1 179.8506403 +1 3 2 4
H 1.09151618 +1 115.2229796 +1 -126.7388856 +1 4 3 7
H 1.09952820 +1 110.8768786 +1 169.8769392 +1 5 4 3
H 1.09952560 +1 112.0490910 +1 -119.0191386 +1 5 4 13
H 1.09918972 +1 111.1253224 +1 -169.8534129 +1 6 1 2
H 1.09785648 +1 112.1084685 +1 119.2484827 +1 6 1 15
H 1.09488549 +1 113.9868672 +1 -65.4483650 +1 7 4 3
H 1.09514475 +1 113.4040402 +1 -123.3709186 +1 7 4 17