PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
magnesium di-acetylacetonate
1766 Magnesium di-acetylacetonate
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ΔHf: -273.2 kcal/mol, REF: M. Ribeiro, "Proceedings of the 11th Summer School on Coordination Chemistry and Catalysis", J. Ziolkowski, Ed., World Scientific, Singapore (1988).
SYMMETRY PM7
Magnesium di-acetylacetonate
H=-273.2 HR=R1988
Mg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 3.12203937 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39985314 +1 63.1492684 +1 0.0000000 +0 2 1 0
C 1.39985314 +0 63.1492684 +0 180.0000000 +0 2 1 3
O 1.25676790 +1 126.4594910 +1 0.0000000 +0 3 2 4
O 1.25676790 +0 126.4594910 +0 0.0000000 +0 4 2 3
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 1 2 3
H 4.20748061 +1 90.0000000 +0 0.0000000 +0 1 7 2
C 1.50390413 +1 119.7324270 +1 180.0000000 +0 3 2 1
C 1.50390413 +0 119.7324270 +0 180.0000000 +0 4 2 1
H 1.10140346 +1 111.2928188 +1 0.0000000 +0 9 3 5
H 1.09774081 +1 111.1188348 +1 119.9432883 +1 9 3 5
H 1.09774081 +0 111.1188348 +0 -119.9432883 +0 9 3 5
H 1.10140346 +0 111.2928188 +0 0.0000000 +0 10 4 6
H 1.09774081 +0 111.1188348 +0 119.9432883 +0 10 4 6
H 1.09774081 +0 111.1188348 +0 -119.9432883 +0 10 4 6
C 3.12203937 +0 90.0000000 +0 180.0000000 +0 1 7 2
C 1.39985314 +0 63.1492684 +0 90.0000000 +0 17 1 7
C 1.39985314 +0 63.1492684 +0 -90.0000000 +0 17 1 7
O 1.25676790 +0 126.4594910 +0 0.0000000 +0 18 17 1
O 1.25676790 +0 126.4594910 +0 0.0000000 +0 19 17 1
H 4.20748061 +0 90.0000000 +0 180.0000000 +0 1 7 2
C 1.50390413 +0 119.7324270 +0 180.0000000 +0 18 17 1
C 1.50390413 +0 119.7324270 +0 180.0000000 +0 19 17 1
H 1.10140346 +0 111.2928188 +0 0.0000000 +0 23 18 20
H 1.09774081 +0 111.1188348 +0 119.9432883 +0 23 18 20
H 1.09774081 +0 111.1188348 +0 -119.9432883 +0 23 18 20
H 1.10140346 +0 111.2928188 +0 0.0000000 +0 24 19 21
H 1.09774081 +0 111.1188348 +0 119.9432883 +0 24 19 21
H 1.09774081 +0 111.1188348 +0 -119.9432883 +0 24 19 21