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	hartrees
Energy at 0K	-4636.787621
Energy at 298.15K
HF Energy	-4636.443529
Nuclear repulsion energy	276.734096

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	-1.089
Se2	0.000	0.000	1.057

	As1	Se2
As1		2.1455
Se2	2.1455

All results from a given calculation for AsSe (Arsenic monoselenide)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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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