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	hartrees
Energy at 0K	-787.217580
Energy at 298.15K
HF Energy	-787.192416
Nuclear repulsion energy	69.311391

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.977
S2	0.000	0.000	-0.977

	S1	S2
S1		1.9545
S2	1.9545

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

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