PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,3-dioxalane
1068 1,3-Dioxalane
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ΔHf: -72.1 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
1,3-Dioxalane
H=-72.1 HR=NIST
O -0.00937223 +1 -0.00548655 +1 -0.01383699 +1
C 1.37323442 +1 0.09625351 +1 0.27595991 +1
O 1.66268846 +1 1.43100367 +1 0.65042752 +1
C 0.60753557 +1 2.26304938 +1 0.17852851 +1
C -0.50375017 +1 1.30437227 +1 -0.27570702 +1
H 1.94932023 +1 -0.15493073 +1 -0.62890685 +1
H 1.57491258 +1 -0.54146402 +1 1.15022074 +1
H 0.33201737 +1 2.89694814 +1 1.03631304 +1
H 1.01914372 +1 2.88027102 +1 -0.63521750 +1
H -1.43454118 +1 1.38533742 +1 0.30784025 +1
H -0.72346941 +1 1.36174989 +1 -1.35349019 +1