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MGHBL9

Main Group Hydrogenic Bond Lengths

The data of this database are calculated at the optimized geometry for each method.
The input files are available to download below:

  >> g09 inputs <<

For published work employing this database, please cite at least one of these articles:
Zhao, Y.; Truhlar, D. G. J. Chem. Phys. 2008, 128, 184109.
and/or
Peverati, R.; Truhlar, D. G. Phil. Trans. Royal Soc. A 2012, Submitted.
The submitted version of this article is available as a pre-print online following the link below, and can be cited using the arXiv citation format:
Peverati, R.; Truhlar, D. G. arXiv:1212.0944 [physics.chem-ph]


Bond length: REF
(Angstrom)
1H20.741
2CH41.086
3NH31.012
4H2O0.957
5HF0.917
6C2H2C-H1.063
7HCNC-H1.065
8H2COC-H1.102
9OH0.970

Subsets: