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	hartrees
Energy at 0K	-497.889248
Energy at 298.15K
HF Energy	-497.704689
Nuclear repulsion energy	47.303066

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.580
F2	0.000	0.000	-1.031

	S1	F2
S1		1.6109
F2	1.6109

All results from a given calculation for SF (Monosulfur monofluoride)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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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