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	hartrees
Energy at 0K	-631.820068
Energy at 298.15K	-631.820818
HF Energy	-631.820068
Nuclear repulsion energy	97.750694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1085	1041	19.68
2	A'	748	717	9.65
3	A'	355	340	0.25

Atom	x (Å)	y (Å)
Cl1	-0.758	-0.737
O2	0.000	0.888
F3	1.432	0.603

	Cl1	O2	F3
Cl1		1.7938	2.5674
O2	1.7938		1.4601
F3	2.5674	1.4601

Number	Element	Mulliken
1	Cl	0.203
2	O	-0.123
3	F	-0.080

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

using model chemistry: M06-2X/3-21G

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
	-0.550	-0.612	0.000	0.823
CHELPG
AIM
ESP

	x	y	z
x	2.834	1.242	0.000
y	1.242	2.763	0.000
z	0.000	0.000	0.539

<r²>	60.789
(<r²>)^1/2	7.797