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	hartrees
Energy at 0K	-708.127236
Energy at 298.15K	-708.129133
HF Energy	-708.127236
Nuclear repulsion energy	193.711068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1123	1123	64.11
2	A'	638	638	152.52
3	A'	537	537	44.97
4	A'	393	393	1.07
5	A"	1279	1279	208.80
6	A"	340	340	5.52

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.338	0.155	0.000
F2	-1.238	0.799	0.000
O3	0.338	-0.614	1.203
O4	0.338	-0.614	-1.203

	Cl1	F2	O3	O4
Cl1		1.7024	1.4282	1.4282
F2	1.7024		2.4349	2.4349
O3	1.4282	2.4349		2.4060
O4	1.4282	2.4349	2.4060

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.759		F2	Cl1	O4	101.759
O3	Cl1	O4	114.767

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

using model chemistry: LSDA/aug-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	1.429
2	F	-0.357
3	O	-0.536
4	O	-0.536

	x	y	z	Total
	1.392	0.891	0.000	1.652
CHELPG
AIM
ESP

	x	y	z
x	4.143	-0.716	0.000
y	-0.716	3.937	0.000
z	0.000	0.000	5.029

<r²>	70.824
(<r²>)^1/2	8.416

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

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

States and conformations

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