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	hartrees
Energy at 0K	-2972.352342
Energy at 298.15K
HF Energy	-2972.352342
Nuclear repulsion energy	138.893232

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.464
Br2	0.000	0.000	0.669

	S1	Br2
S1		2.1336
Br2	2.1336

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.084
2	Br	0.084

	x	y	z	Total
	0.000	0.000	0.405	0.405
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/aug-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>	69.059
(<r²>)^1/2	8.310