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	hartrees
Energy at 0K	-2610.382600
Energy at 298.15K	-2610.384223
HF Energy	-2610.116740
Nuclear repulsion energy	59.906962

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.583
Br2	0.000	0.000	0.271

	C1	Br2
C1		1.8549
Br2	1.8549

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

using model chemistry: QCISD(T)/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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