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	hartrees
Energy at 0K	-710.396045
Energy at 298.15K	-710.397811
HF Energy	-710.396045
Nuclear repulsion energy	193.116692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1122	1083	74.52
2	A'	634	612	151.73
3	A'	551	532	63.37
4	A'	400	386	2.39
5	A"	1279	1235	224.61
6	A"	350	338	7.55

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.339	0.151	0.000
F2	-1.243	0.816	0.000
O3	0.339	-0.619	1.203
O4	0.339	-0.619	-1.203

	Cl1	F2	O3	O4
Cl1		1.7159	1.4284	1.4284
F2	1.7159		2.4512	2.4512
O3	1.4284	2.4512		2.4059
O4	1.4284	2.4512	2.4059

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.059		F2	Cl1	O4	102.059
O3	Cl1	O4	114.741

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

using model chemistry: B3LYP/cc-pV(T+d)Z

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	0.940
2	F	-0.288
3	O	-0.326
4	O	-0.326

	x	y	z	Total
	1.530	0.983	0.000	1.818
CHELPG
AIM
ESP

	x	y	z
x	3.252	-0.777	0.000
y	-0.777	3.024	0.000
z	0.000	0.000	4.175

<r²>	71.104
(<r²>)^1/2	8.432

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

using model chemistry: B3LYP/cc-pV(T+d)Z

States and conformations

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