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	hartrees
Energy at 0K	-169.794513
Energy at 298.15K
HF Energy	-169.794513
Nuclear repulsion energy	6.033189

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.274
Na2	0.000	0.000	0.620

	Li1	Na2
Li1		2.8945
Na2	2.8945

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.223
2	Na	-0.223

	x	y	z	Total
	0.000	0.000	-0.072	0.072
CHELPG
AIM
ESP

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

using model chemistry: BLYP/cc-pVTZ

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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<r²>	29.218
(<r²>)^1/2	5.405