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	hartrees
Energy at 0K	-169.773132
Energy at 298.15K
HF Energy	-169.773132
Nuclear repulsion energy	5.951562

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.305
Na2	0.000	0.000	0.629

	Li1	Na2
Li1		2.9342
Na2	2.9342

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.027
2	Na	0.027

	x	y	z	Total
	0.000	0.000	0.450	0.450
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-311G**

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>	29.781
(<r²>)^1/2	5.457