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	hartrees
Energy at 0K	-559.991815
Energy at 298.15K	-559.991831
HF Energy	-559.991815
Nuclear repulsion energy	48.381961

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.094
Cl2	0.000	0.000	0.579

	F1	Cl2
F1		1.6734
Cl2	1.6734

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.365
2	Cl	0.365

	x	y	z	Total
	0.000	0.000	0.994	0.994
CHELPG
AIM
ESP

All results from a given calculation for ClF (Chlorine monofluoride)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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>	27.193
(<r²>)^1/2	5.215