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	hartrees
Energy at 0K	-2610.735075
Energy at 298.15K	-2610.736721
HF Energy	-2610.202097
Nuclear repulsion energy	61.446793

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.544
Br2	0.000	0.000	0.265

	C1	Br2
C1		1.8085
Br2	1.8085

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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