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	hartrees
Energy at 0K	-5147.760412
Energy at 298.15K
HF Energy	-5147.760412
Nuclear repulsion energy	283.671598

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	1.143
Br2	0.000	0.000	-1.143

	Br1	Br2
Br1		2.2852
Br2	2.2852

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for Br₂ (Bromine diatomic)

using model chemistry: HSEh1PBE/cc-pVTZ

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>	113.513
(<r²>)^1/2	10.654

All results from a given calculation for Br2 (Bromine diatomic)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for Br₂ (Bromine diatomic)