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- Method: M06-2X/6-311+G(2df,2p) (Grids = 99974) ( Download coordinates )
- Reference: "Practical Methods for Including Torsional Anharmonicity in Thermochemical Calculations on Complex Molecules:
The Internal-Coordinate Multi-Structural Approximation," J. Zheng, T. Yu, E. Papajak, I, M. Alecu, S. L. Mielke, and D. G. Truhlar,
Physical Chemistry Chemical Physics, accepted on Feb. 11, 2011. The manuscript ID is CP-ART-11-2010-002644.
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