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	hartrees
Energy at 0K	-2610.635613
Energy at 298.15K	-2610.637253
HF Energy	-2610.197472
Nuclear repulsion energy	61.347313

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.546
Br2	0.000	0.000	0.265

	C1	Br2
C1		1.8114
Br2	1.8114

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

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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