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	hartrees
Energy at 0K	-634.830399
Energy at 298.15K	-634.831165
HF Energy	-634.830399
Nuclear repulsion energy	103.135188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	915	915	54.10
2	A'	752	752	20.79
3	A'	396	396	1.26

Atom	x (Å)	y (Å)
Cl1	-0.738	-0.683
O2	0.000	0.802
F3	1.393	0.577

	Cl1	O2	F3
Cl1		1.6573	2.4751
O2	1.6573		1.4112
F3	2.4751	1.4112

Number	Element	Mulliken
1	Cl	0.093
2	O	0.074
3	F	-0.167

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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
	-0.767	-0.673	0.000	1.020
CHELPG
AIM
ESP

	x	y	z
x	4.345	0.913	0.000
y	0.913	3.809	0.000
z	0.000	0.000	2.689

<r²>	56.648
(<r²>)^1/2	7.526