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	hartrees
Energy at 0K	-634.839255
Energy at 298.15K	-634.840024
HF Energy	-634.839255
Nuclear repulsion energy	102.685945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	932	896	53.66
2	A'	752	722	17.38
3	A'	394	378	0.91

Atom	x (Å)	y (Å)
Cl1	-0.738	-0.691
O2	0.000	0.808
F3	1.394	0.587

	Cl1	O2	F3
Cl1		1.6700	2.4846
O2	1.6700		1.4109
F3	2.4846	1.4109

Number	Element	Mulliken
1	Cl	0.145
2	O	-0.051
3	F	-0.094

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

using model chemistry: PBE1PBE/cc-pVTZ

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
	-0.739	-0.706	0.000	1.022
CHELPG
AIM
ESP

	x	y	z
x	3.623	0.984	0.000
y	0.984	3.193	0.000
z	0.000	0.000	1.747

<r²>	56.855
(<r²>)^1/2	7.540