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	hartrees
Energy at 0K	-2611.611726
Energy at 298.15K	-2611.613362
HF Energy	-2611.520141
Nuclear repulsion energy	60.984214

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.556
Br2	0.000	0.000	0.267

	C1	Br2
C1		1.8222
Br2	1.8222

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.139
2	Br	0.139

	x	y	z	Total
	0.000	0.000	1.557	1.557
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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>	32.636
(<r²>)^1/2	5.713