PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
norbornan-7-one
794 Norbornan-7-one
(Previous)
(Back)
(Next)
ΔHf: -32.0 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
Norbornan-7-one
H=-32.0 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54882568 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.56045452 +1 104.1065871 +1 0.0000000 +0 2 1 0
C 1.54877436 +1 104.0650532 +1 -0.0229742 +1 3 2 1
C 1.54832006 +1 108.6089748 +1 69.5866112 +1 4 3 2
C 1.54829548 +1 108.5976389 +1 -69.5381675 +1 1 2 3
C 1.53480010 +1 99.4350776 +1 103.4914158 +1 1 2 6
H 1.09168846 +1 115.0105238 +1 125.9566423 +1 1 2 7
H 1.10015578 +1 111.3074831 +1 -120.1126057 +1 2 1 3
H 1.09838404 +1 111.6979854 +1 -119.1812011 +1 2 1 9
H 1.09166185 +1 115.0089813 +1 130.6112236 +1 4 3 5
H 1.10023710 +1 111.3135515 +1 170.3859257 +1 5 4 3
H 1.09839787 +1 111.7213378 +1 -119.2399518 +1 5 4 12
H 1.10022082 +1 111.3179167 +1 -170.3981925 +1 6 1 2
H 1.09837173 +1 111.7225087 +1 119.2432988 +1 6 1 14
O 1.18973283 +1 131.0625387 +1 124.3710907 +1 7 1 2
H 1.10013831 +1 111.3987415 +1 -120.0263890 +1 3 2 4
H 1.09837485 +1 111.7088807 +1 -119.2980237 +1 3 2 17