PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
acetate, anion
1055 Acetate, anion
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ΔHf: -122.5 kcal/mol, REF: J. E. Bartmess, R. T. McIver, "Gas Phase Ion Chemistry," Academic Press, New York, 1979, Vol. II.
CHARGE=-1 PM7
Acetate, anion
H=-122.5 103.3 HR=BM1979
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.56280159 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.08640115 +1 108.7394258 +1 0.0000000 +0 2 1 0
H 1.08639292 +1 108.9337834 +1 118.8707554 +1 2 1 3
H 1.08642925 +1 109.9532295 +1 -120.4559738 +1 2 1 3
O 1.23778581 +1 115.8754865 +1 117.0624559 +1 1 2 3
O 1.23828897 +1 115.5280855 +1 -62.8686483 +1 1 2 3