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	hartrees
Energy at 0K	-497.397815
Energy at 298.15K
HF Energy	-496.973229
Nuclear repulsion energy	47.752107

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.574
F2	0.000	0.000	-1.021

	S1	F2
S1		1.5958
F2	1.5958

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

using model chemistry: CCD/aug-cc-pCVTZ

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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