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	hartrees
Energy at 0K	-498.034090
Energy at 298.15K
HF Energy	-498.034090
Nuclear repulsion energy	47.104452

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.582
F2	0.000	0.000	-1.035

	S1	F2
S1		1.6177
F2	1.6177

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.484
2	F	-0.484

	x	y	z	Total
	0.000	0.000	0.731	0.731
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/daug-cc-pVTZ

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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<r²>	26.075
(<r²>)^1/2	5.106