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	hartrees
Energy at 0K	-24.483296
Energy at 298.15K	-24.482361
Nuclear repulsion energy	7.178341

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-1.062
S2	0.000	0.000	0.708

	Be1	S2
Be1		1.7692
S2	1.7692

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	0.243
2	S	-0.243

	x	y	z	Total
	0.000	0.000	-6.608	6.608
CHELPG
AIM
ESP

All results from a given calculation for BeS (beryllium sulfide)

using model chemistry: HF/LANL2DZ

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>	17.922
(<r²>)^1/2	4.233