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	hartrees
Energy at 0K	-814.859390
Energy at 298.15K
HF Energy	-814.859390
Nuclear repulsion energy	99.561890

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.459
Br2	0.000	0.000	0.667

	S1	Br2
S1		2.1260
Br2	2.1260

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.076
2	Br	0.076

	x	y	z	Total
	0.000	0.000	0.458	0.458
CHELPG
AIM
ESP

All results from a given calculation for SBr (Sulfur monobromide radical)

using model chemistry: PBE1PBE/cc-pVTZ-PP

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>	64.029
(<r²>)^1/2	8.002