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	hartrees
Energy at 0K	-2598.990548
Energy at 298.15K
HF Energy	-2598.954046
Nuclear repulsion energy	56.712339

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.673
Br2	0.000	0.000	0.287

	C1	Br2
C1		1.9595
Br2	1.9595

All results from a given calculation for CBr (Carbon monobromide)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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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