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	hartrees
Energy at 0K	-4634.846727
Energy at 298.15K	-4634.843104
HF Energy	-4634.152804
Nuclear repulsion energy	277.741471

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	-1.085
Se2	0.000	0.000	1.053

	As1	Se2
As1		2.1377
Se2	2.1377

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

using model chemistry: QCISD(T)=FULL/cc-pVQZ

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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