PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
oxalone
927 Oxalone
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ΔHf: -3.7 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
Oxalone
H=-3.71 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.31315869 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.38853023 +1 111.8720849 +1 0.0000000 +0 2 1 0
C 1.38145122 +1 105.3984345 +1 -0.0045758 +1 3 2 1
C 1.37166101 +1 108.3127709 +1 0.0090652 +1 4 3 2
H 1.06287393 +1 114.3166518 +1 -179.9967661 +1 4 3 5
H 1.07337212 +1 131.7963847 +1 -179.9942457 +1 5 4 3
H 1.06969578 +1 132.5825789 +1 179.9976362 +1 2 1 3