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	hartrees
Energy at 0K	-4637.447983
Energy at 298.15K	-4637.444334
HF Energy	-4637.447983
Nuclear repulsion energy	273.622804

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	-1.101
Se2	0.000	0.000	1.069

	As1	Se2
As1		2.1699
Se2	2.1699

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.111
2	Se	-0.111

	x	y	z	Total
	0.000	0.000	-0.880	0.880
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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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<r²>	100.847
(<r²>)^1/2	10.042