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	hartrees
Energy at 0K	-833.914787
Energy at 298.15K
HF Energy	-833.914787
Nuclear repulsion energy	144.846074

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	1.142
Br2	0.000	0.000	-1.142

	Br1	Br2
Br1		2.2834
Br2	2.2834

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: mPW1PW91/cc-pVTZ-PP

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>	86.837
(<r²>)^1/2	9.319

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

using model chemistry: mPW1PW91/cc-pVTZ-PP

States and conformations

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