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	hartrees
Energy at 0K	-634.783686
Energy at 298.15K	-634.784440
HF Energy	-634.783686
Nuclear repulsion energy	101.861095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	915	880	55.97
2	A'	743	715	21.39
3	A'	387	372	0.77

Atom	x (Å)	y (Å)
Cl1	-0.739	-0.703
O2	0.000	0.820
F3	1.396	0.599

	Cl1	O2	F3
Cl1		1.6924	2.5005
O2	1.6924		1.4133
F3	2.5005	1.4133

Number	Element	Mulliken
1	Cl	0.389
2	O	-0.162
3	F	-0.227

All results from a given calculation for ClOF (Chlorine hypofluorite)

using model chemistry: PBE1PBE/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.750	-0.669	0.000	1.005
CHELPG
AIM
ESP

	x	y	z
x	4.361	0.968	0.000
y	0.968	3.901	0.000
z	0.000	0.000	2.665

<r²>	57.723
(<r²>)^1/2	7.598