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	hartrees
Energy at 0K	-708.495949
Energy at 298.15K	-708.498092
HF Energy	-708.495949
Nuclear repulsion energy	202.763509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1298	1181	120.16
2	A'	791	720	265.47
3	A'	680	619	66.04
4	A'	519	472	0.84
5	A"	1455	1325	350.14
6	A"	465	423	15.30

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.314	0.157	0.000
F2	-1.150	0.760	0.000
O3	0.314	-0.594	1.162
O4	0.314	-0.594	-1.162

	Cl1	F2	O3	O4
Cl1		1.5834	1.3835	1.3835
F2	1.5834		2.3081	2.3081
O3	1.3835	2.3081		2.3231
O4	1.3835	2.3081	2.3231

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.937		F2	Cl1	O4	101.937
O3	Cl1	O4	114.187

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

using model chemistry: HF/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	1.157
2	F	-0.275
3	O	-0.441
4	O	-0.441

	x	y	z	Total
	1.050	1.635	0.000	1.943
CHELPG
AIM
ESP

	x	y	z
x	2.740	-0.546	0.000
y	-0.546	2.661	0.000
z	0.000	0.000	3.528

<r²>	65.760
(<r²>)^1/2	8.109

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

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

States and conformations

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