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	hartrees
Energy at 0K	-497.451610
Energy at 298.15K	-497.451346
HF Energy	-496.982302
Nuclear repulsion energy	47.497804

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.578
F2	0.000	0.000	-1.027

	S1	F2
S1		1.6045
F2	1.6045

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

using model chemistry: QCISD(TQ)/aug-cc-pVQZ

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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