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	hartrees
Energy at 0K	-2611.713951
Energy at 298.15K	-2611.715580
HF Energy	-2611.713951
Nuclear repulsion energy	60.653796

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.564
Br2	0.000	0.000	0.268

	C1	Br2
C1		1.8322
Br2	1.8322

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.434
2	Br	0.434

	x	y	z	Total
	0.000	0.000	1.607	1.607
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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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<r²>	32.778
(<r²>)^1/2	5.725