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	hartrees
Energy at 0K	-4467.518438
Energy at 298.15K	-4467.514832
Nuclear repulsion energy	274.786395

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	1.049
As2	0.000	0.000	-1.049

	As1	As2
As1		2.0972
As2	2.0972

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.000
2	As	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for As₂ (Arsenic diatomic)

using model chemistry: B3LYP/6-31G*

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>	94.401
(<r²>)^1/2	9.716

All results from a given calculation for As2 (Arsenic diatomic)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for As₂ (Arsenic diatomic)