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	hartrees
Energy at 0K	-2609.113327
Energy at 298.15K	-2609.114948
HF Energy	-2609.044814
Nuclear repulsion energy	60.141346

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.577
Br2	0.000	0.000	0.270

	C1	Br2
C1		1.8478
Br2	1.8478

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.003
2	Br	-0.003

	x	y	z	Total
	0.000	0.000	1.223	1.223
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/6-31G**

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>	32.688
(<r²>)^1/2	5.717