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	hartrees
Energy at 0K	-497.995728
Energy at 298.15K	-497.995463
HF Energy	-497.995728
Nuclear repulsion energy	46.943037

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.584
F2	0.000	0.000	-1.039

	S1	F2
S1		1.6233
F2	1.6233

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.242
2	F	-0.242

	x	y	z	Total
	0.000	0.000	1.155	1.155
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/TZVP

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>	26.101
(<r²>)^1/2	5.109