Cl - CH3 - F(-) TS (f)
49 F - CH3 - Cl(-) TS, forward reaction
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Geometry predicted using PM7
ΔHf: 2.9 kcal/mol, REF: Yan Zhao, Núria González-García, and Donald G. Truhlar, "Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and Its Use to Test Theoretical Methods" J. Phys.
TS CHARGE=-1
F - CH3 - Cl(-) TS, forward reaction
h=2.89+"F - CH3Cl(-) complex " hr=zgt2005
Cl 0.00000000 0 0.0000000 0 0.0000000 0 0 0 0
C 1.97550000 1 0.0000000 0 0.0000000 0 1 0 0
H 1.09982600 1 97.7808850 1 0.0000000 0 2 1 0
H 1.09986700 1 97.7753390 1 119.9953020 1 2 1 3
H 1.09980800 1 97.7810140 1 119.9950320 1 2 1 4
F 2.12410000 1 82.2206970 1 -179.9915660 1 2 5 1