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	hartrees
Energy at 0K	-2971.850262
Energy at 298.15K
HF Energy	-2971.727831
Nuclear repulsion energy	138.254767

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.471
Br2	0.000	0.000	0.672

	S1	Br2
S1		2.1434
Br2	2.1434

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.040
2	Br	0.040

	x	y	z	Total
	0.000	0.000	0.323	0.323
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/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>	69.593
(<r²>)^1/2	8.342