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	hartrees
Energy at 0K	-2609.036069
Energy at 298.15K	-2609.037708
HF Energy	-2609.036069
Nuclear repulsion energy	61.404306

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.545
Br2	0.000	0.000	0.265

	C1	Br2
C1		1.8098
Br2	1.8098

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.138
2	Br	0.138

	x	y	z	Total
	0.000	0.000	1.881	1.881
CHELPG
AIM
ESP

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

using model chemistry: LSDA/TZVP

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>	32.408
(<r²>)^1/2	5.693