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	hartrees
Energy at 0K	-5145.379380
Energy at 298.15K
HF Energy	-5144.820621
Nuclear repulsion energy	282.891149

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	1.146
Br2	0.000	0.000	-1.146

	Br1	Br2
Br1		2.2915
Br2	2.2915

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

using model chemistry: CCSD/Def2TZVPP

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: CCSD/Def2TZVPP

States and conformations

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