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	hartrees
Energy at 0K	-5145.057279
Energy at 298.15K
HF Energy	-5144.760361
Nuclear repulsion energy	277.032449

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	1.170
Br2	0.000	0.000	-1.170

	Br1	Br2
Br1		2.3400
Br2	2.3400

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

using model chemistry: QCISD/aug-cc-pVDZ

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: QCISD/aug-cc-pVDZ

States and conformations

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