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	hartrees
Energy at 0K	-2611.707412
Energy at 298.15K	-2611.709043
HF Energy	-2611.512152
Nuclear repulsion energy	60.473726

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.569
Br2	0.000	0.000	0.269

	C1	Br2
C1		1.8376
Br2	1.8376

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

using model chemistry: B2PLYP=FULL/6-311G**

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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