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	hartrees
Energy at 0K	-710.256534
Energy at 298.15K
HF Energy	-710.256534
Nuclear repulsion energy	190.272526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1079	1079	76.84
2	A'	638	638	146.61
3	A'	530	530	42.04
4	A'	380	380	1.28
5	A"	1239	1239	204.28
6	A"	326	326	8.50

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.341	0.144	0.000
F2	-1.251	0.851	0.000
O3	0.341	-0.632	1.222
O4	0.341	-0.632	-1.222

	Cl1	F2	O3	O4
Cl1		1.7425	1.4477	1.4477
F2	1.7425		2.4958	2.4958
O3	1.4477	2.4958		2.4444
O4	1.4477	2.4958	2.4444

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.555		F2	Cl1	O4	102.555
O3	Cl1	O4	115.176

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

using model chemistry: B3LYP/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	1.005
2	F	-0.328
3	O	-0.338
4	O	-0.338

	x	y	z	Total
	1.695	0.994	0.000	1.965
CHELPG
AIM
ESP

	x	y	z
x	2.772	-0.884	0.000
y	-0.884	2.565	0.000
z	0.000	0.000	3.833

<r²>	72.756
(<r²>)^1/2	8.530

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

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

States and conformations

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