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	hartrees
Energy at 0K	-2612.068094
Energy at 298.15K	-2612.069727
HF Energy	-2612.068094
Nuclear repulsion energy	60.560150

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.566
Br2	0.000	0.000	0.269

	C1	Br2
C1		1.8350
Br2	1.8350

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.135
2	Br	0.135

	x	y	z	Total
	0.000	0.000	1.416	1.416
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/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>	32.605
(<r²>)^1/2	5.710