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	hartrees
Energy at 0K	-3033.817772
Energy at 298.15K
HF Energy	-3033.672350
Nuclear repulsion energy	144.181435

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.714
Cl2	0.000	0.000	-1.470

	Br1	Cl2
Br1		2.1838
Cl2	2.1838

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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