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	hartrees
Energy at 0K	-2408.628125
Energy at 298.15K
HF Energy	-2408.583427
Nuclear repulsion energy	23.484730

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.112
Se2	0.000	0.000	0.186

	Li1	Se2
Li1		2.2983
Se2	2.2983

All results from a given calculation for LiSe (Lithium monoselenide)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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