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	hartrees
Energy at 0K	-3031.434851
Energy at 298.15K
HF Energy	-3031.326373
Nuclear repulsion energy	147.039912

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.700
Cl2	0.000	0.000	-1.441

	Br1	Cl2
Br1		2.1413
Cl2	2.1413

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Br	0.104
2	Cl	-0.104

	x	y	z	Total
	0.000	0.000	0.482	0.482
CHELPG
AIM
ESP

All results from a given calculation for BrCl (Bromine monochloride)

using model chemistry: B2PLYP/6-31G(2df,p)

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>	71.093
(<r²>)^1/2	8.432