MGNHBL11

Main Group Non-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:
Peverati, R.; Truhlar, D. G. J. Chem. Theory Comput. 2012, 8, 2310-2319.
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]

We note that the databases in these articles build on earlier work, which may also be cited when appropriate:
Zhao, Y.; Truhlar, D. G. J. Chem. Phys. 2008, 128, 184109.

		Bond Length:	REF
			(Angstrom)
1	CO		1.128
2	N2		1.098
3	F2		1.412
4	C2H2	C-C	1.203
5	HCN	C-N	1.153
6	H2CO	C-O	1.203
7	CO2		1.160
8	N2O	N-N	1.128
9		N-O	1.184
10	Cl2		1.988
11	MgS		2.143

Subsets:

DG6 data: 2, 10, 11 plus 1, 5, 9 in MGHBL9.