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	hartrees
Energy at 0K	-709.852186
Energy at 298.15K
HF Energy	-709.852186
Nuclear repulsion energy	192.853606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1143	1143	84.50
2	A'	670	670	165.28
3	A'	556	556	45.00
4	A'	403	403	1.10
5	A"	1308	1308	232.23
6	A"	349	349	9.43

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.336	0.148	0.000
F2	-1.233	0.826	0.000
O3	0.336	-0.621	1.209
O4	0.336	-0.621	-1.209

	Cl1	F2	O3	O4
Cl1		1.7095	1.4331	1.4331
F2	1.7095		2.4535	2.4535
O3	1.4331	2.4535		2.4188
O4	1.4331	2.4535	2.4188

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.291		F2	Cl1	O4	102.291
O3	Cl1	O4	115.107

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

using model chemistry: PBE1PBE/cc-pV(D+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	1.022
2	F	-0.326
3	O	-0.348
4	O	-0.348

	x	y	z	Total
	1.581	1.052	0.000	1.899
CHELPG
AIM
ESP

	x	y	z
x	2.686	-0.809	0.000
y	-0.809	2.498	0.000
z	0.000	0.000	3.728

<r²>	71.133
(<r²>)^1/2	8.434

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

using model chemistry: PBE1PBE/cc-pV(D+d)Z

States and conformations

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