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	hartrees
Energy at 0K	-5140.451042
Energy at 298.15K
HF Energy	-5140.117948
Nuclear repulsion energy	284.312981

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	1.140
Br2	0.000	0.000	-1.140

	Br1	Br2
Br1		2.2800
Br2	2.2800

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

using model chemistry: CCD/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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All results from a given calculation for Br2 (Bromine diatomic)

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

States and conformations

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