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	hartrees
Energy at 0K	-2599.302034
Energy at 298.15K	-2599.303659
HF Energy	-2599.302034
Nuclear repulsion energy	59.426117

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.596
Br2	0.000	0.000	0.274

	C1	Br2
C1		1.8700
Br2	1.8700

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.060
2	Br	0.060

	x	y	z	Total
	0.000	0.000	1.536	1.536
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/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>	33.039
(<r²>)^1/2	5.748