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	hartrees
Energy at 0K	-2407.452274
Energy at 298.15K
HF Energy	-2407.301045
Nuclear repulsion energy	23.443450

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.116
Se2	0.000	0.000	0.187

	Li1	Se2
Li1		2.3023
Se2	2.3023

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

using model chemistry: QCISD(T)=FULL/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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