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	hartrees
Energy at 0K	-4637.598577
Energy at 298.15K	-4637.594929
HF Energy	-4637.598577
Nuclear repulsion energy	274.908436

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	-1.096
Se2	0.000	0.000	1.064

	As1	Se2
As1		2.1598
Se2	2.1598

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.165
2	Se	-0.165

	x	y	z	Total
	0.000	0.000	-0.858	0.858
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/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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<r²>	100.464
(<r²>)^1/2	10.023