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	hartrees
Energy at 0K	-710.314353
Energy at 298.15K	-710.316140
HF Energy	-710.314353
Nuclear repulsion energy	190.174360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1068	1068	63.45
2	A'	582	582	104.36
3	A'	512	512	72.43
4	A'	365	365	5.76
5	A"	1223	1223	198.54
6	A"	319	319	5.11

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.346	0.144	0.000
F2	-1.270	0.847	0.000
O3	0.346	-0.629	1.216
O4	0.346	-0.629	-1.216

	Cl1	F2	O3	O4
Cl1		1.7620	1.4413	1.4413
F2	1.7620		2.5037	2.5037
O3	1.4413	2.5037		2.4327
O4	1.4413	2.5037	2.4327

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.350		F2	Cl1	O4	102.350
O3	Cl1	O4	115.120

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

using model chemistry: B97D3/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	1.493
2	F	-0.394
3	O	-0.550
4	O	-0.550

	x	y	z	Total
	1.666	0.686	0.000	1.802
CHELPG
AIM
ESP

	x	y	z
x	4.308	-0.865	0.000
y	-0.865	4.055	0.000
z	0.000	0.000	5.163

<r²>	73.103
(<r²>)^1/2	8.550

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

using model chemistry: B97D3/aug-cc-pV(T+d)Z

States and conformations

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