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	hartrees
Energy at 0K	-795.082242
Energy at 298.15K	-795.082202
HF Energy	-795.082242
Nuclear repulsion energy	72.467948

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.935
S2	0.000	0.000	-0.935

	S1	S2
S1		1.8694
S2	1.8694

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: ROHF/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>	43.851
(<r²>)^1/2	6.622

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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