PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
phenoxy, anion
780 Phenoxy, anion
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ΔHf: -40.5 kcal/mol, REF: J. E. Bartmess, R. T. McIver, "Gas Phase Ion Chemistry," Academic Press, New York, 1979, Vol. II.
CHARGE=-1 PM7
Phenoxy, anion
H=-40.5 HR=BM1979
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.24014745 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.44421920 +1 121.6599152 +1 0.0000000 +0 2 1 0
C 1.44437167 +1 116.7570631 +1 179.9995888 +1 2 3 1
C 1.37465171 +1 120.5946588 +1 179.9962082 +1 3 2 1
C 1.37430123 +1 120.5958480 +1 -179.9895922 +1 4 2 1
C 1.40065937 +1 121.6715383 +1 0.0098018 +1 5 3 2
H 1.07626083 +1 117.0682440 +1 -0.0072326 +1 3 2 1
H 1.07626675 +1 117.0532600 +1 0.0084116 +1 4 2 1
H 1.08799584 +1 119.6493202 +1 -179.9968189 +1 5 3 2
H 1.08791858 +1 119.6645174 +1 179.9980638 +1 6 4 2
H 1.07376623 +1 120.6733877 +1 -179.9925857 +1 7 5 3