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	hartrees
Energy at 0K	-2599.050439
Energy at 298.15K	-2599.052031
HF Energy	-2599.050439
Nuclear repulsion energy	56.936123

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.666
Br2	0.000	0.000	0.286

	C1	Br2
C1		1.9518
Br2	1.9518

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.184
2	Br	0.184

	x	y	z	Total
	0.000	0.000	1.125	1.125
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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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<r²>	34.817
(<r²>)^1/2	5.901