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	hartrees
Energy at 0K	-169.304137
Energy at 298.15K
HF Energy	-169.275161
Nuclear repulsion energy	5.917321

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.319
Na2	0.000	0.000	0.632

	Li1	Na2
Li1		2.9511
Na2	2.9511

All results from a given calculation for NaLi (lithium sodium)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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