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	hartrees
Energy at 0K	-796.413094
Energy at 298.15K	-796.412991
HF Energy	-796.413094
Nuclear repulsion energy	69.833846

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.970
S2	0.000	0.000	-0.970

	S1	S2
S1		1.9399
S2	1.9399

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.000
2	S	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for S₂ (Sulfur diatomic)

using model chemistry: BLYP/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>	46.062
(<r²>)^1/2	6.787

All results from a given calculation for S2 (Sulfur diatomic)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for S₂ (Sulfur diatomic)