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	hartrees
Energy at 0K	-498.013995
Energy at 298.15K	-498.013738
HF Energy	-498.013995
Nuclear repulsion energy	47.753167

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.574
F2	0.000	0.000	-1.021

	S1	F2
S1		1.5957
F2	1.5957

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.202
2	F	-0.202

	x	y	z	Total
	0.000	0.000	0.787	0.787
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/cc-pCVTZ

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>	25.488
(<r²>)^1/2	5.049