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	hartrees
Energy at 0K	-876.570562
Energy at 298.15K
HF Energy	-876.414217
Nuclear repulsion energy	104.411557

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.704
Cl2	0.000	0.000	-1.450

	Br1	Cl2
Br1		2.1540
Cl2	2.1540

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

using model chemistry: B2PLYP=FULL/cc-pVTZ-PP

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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