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	hartrees
Energy at 0K	-497.759559
Energy at 298.15K
HF Energy	-497.759559
Nuclear repulsion energy	46.690776

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.588
F2	0.000	0.000	-1.045

	S1	F2
S1		1.6320
F2	1.6320

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.461
2	F	-0.461

	x	y	z	Total
	0.000	0.000	0.691	0.691
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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>	26.435
(<r²>)^1/2	5.141