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	hartrees
Energy at 0K	-710.339940
Energy at 298.15K	-710.341795
HF Energy	-710.339940
Nuclear repulsion energy	195.552235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1176	1126	79.34
2	A'	667	639	172.05
3	A'	575	550	60.62
4	A'	424	406	1.33
5	A"	1336	1280	243.94
6	A"	373	357	8.16

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.333	0.153	0.000
F2	-1.219	0.797	0.000
O3	0.333	-0.612	1.193
O4	0.333	-0.612	-1.193

	Cl1	F2	O3	O4
Cl1		1.6800	1.4172	1.4172
F2	1.6800		2.4116	2.4116
O3	1.4172	2.4116		2.3858
O4	1.4172	2.4116	2.3858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.940		F2	Cl1	O4	101.940
O3	Cl1	O4	114.654

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

using model chemistry: mPW1PW91/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	0.921
2	F	-0.266
3	O	-0.327
4	O	-0.327

	x	y	z	Total
	1.350	1.054	0.000	1.713
CHELPG
AIM
ESP

	x	y	z
x	3.139	-0.706	0.000
y	-0.706	2.956	0.000
z	0.000	0.000	4.065

<r²>	69.487
(<r²>)^1/2	8.336

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

using model chemistry: mPW1PW91/cc-pV(T+d)Z

States and conformations

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