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	hartrees
Energy at 0K	-706.727022
Energy at 298.15K	-706.728402
HF Energy	-706.727022
Nuclear repulsion energy	181.938585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	896	891	39.31
2	A'	577	573	76.47
3	A'	446	443	23.71
4	A'	318	315	2.75
5	A"	1055	1048	88.22
6	A"	263	261	4.75

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.346	0.137	0.000
F2	-1.270	0.934	0.000
O3	0.346	-0.671	1.286
O4	0.346	-0.671	-1.286

	Cl1	F2	O3	O4
Cl1		1.8026	1.5193	1.5193
F2	1.8026		2.6165	2.6165
O3	1.5193	2.6165		2.5729
O4	1.5193	2.6165	2.5729

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	103.604		F2	Cl1	O4	103.604
O3	Cl1	O4	115.712

All results from a given calculation for ClO₂F (Chloryl fluoride)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	Cl	0.993
2	F	-0.263
3	O	-0.365
4	O	-0.365

	x	y	z	Total
	1.420	1.071	0.000	1.778
CHELPG
AIM
ESP

	x	y	z
x	2.580	-0.986	0.000
y	-0.986	2.493	0.000
z	0.000	0.000	3.910

<r²>	77.865
(<r²>)^1/2	8.824

All results from a given calculation for ClO2F (Chloryl fluoride)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for ClO₂F (Chloryl fluoride)