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- #n B3LYP/6-31+G(d) Opt=(TS,ModRedun)
- CH3CL and F- SN2 reaction opt of initial structure guess
- -1 1
- C -2.66800 3.00189 0.00000
- Cl -1.59800 3.00189 0.00000
- H -3.02466 3.51292 -0.86979
- H -3.02466 3.49963 0.87746
- H -3.02467 1.99311 -0.00767
- F -4.48858 3.01637 -0.80324
- 1 6 F
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