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	hartrees
Energy at 0K	-708.358826
Energy at 298.15K	-708.360929
HF Energy	-708.358826
Nuclear repulsion energy	201.635197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1268	1148	107.21
2	A'	794	719	231.06
3	A'	666	603	51.87
4	A'	503	456	1.10
5	A"	1427	1292	296.20
6	A"	452	409	13.15

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.315	0.159	0.000
F2	-1.155	0.766	0.000
O3	0.315	-0.599	1.168
O4	0.315	-0.599	-1.168

	Cl1	F2	O3	O4
Cl1		1.5904	1.3921	1.3921
F2	1.5904		2.3212	2.3212
O3	1.3921	2.3212		2.3351
O4	1.3921	2.3212	2.3351

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.999		F2	Cl1	O4	101.999
O3	Cl1	O4	114.008

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

using model chemistry: HF/6-31G(2df,p)

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	0.994
2	F	-0.275
3	O	-0.360
4	O	-0.360

	x	y	z	Total
	0.947	1.660	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	2.876	-0.528	0.000
y	-0.528	2.790	0.000
z	0.000	0.000	3.564

<r²>	66.068
(<r²>)^1/2	8.128

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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