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	hartrees
Energy at 0K	-631.567418
Energy at 298.15K	-631.568020
HF Energy	-631.567418
Nuclear repulsion energy	94.572203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	943	934	47.82
2	A'	619	613	35.96
3	A'	300	298	1.12

Atom	x (Å)	y (Å)
Cl1	-0.779	-0.783
O2	0.000	0.902
F3	1.471	0.677

	Cl1	O2	F3
Cl1		1.8563	2.6816
O2	1.8563		1.4877
F3	2.6816	1.4877

Number	Element	Mulliken
1	Cl	0.127
2	O	-0.078
3	F	-0.049

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

using model chemistry: PBEPBEultrafine/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
	-0.254	-0.296	0.000	0.390
CHELPG
AIM
ESP

	x	y	z
x	3.103	1.530	0.000
y	1.530	2.988	0.000
z	0.000	0.000	0.518

<r²>	64.437
(<r²>)^1/2	8.027