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	hartrees
Energy at 0K	-497.510142
Energy at 298.15K	-497.509905
HF Energy	-496.973066
Nuclear repulsion energy	47.812483

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.574
F2	0.000	0.000	-1.020

	S1	F2
S1		1.5938
F2	1.5938

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

using model chemistry: CCSD=FULL/aug-cc-pV(T+d)Z

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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