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	hartrees
Energy at 0K	-709.875077
Energy at 298.15K	-709.876509
HF Energy	-709.875077
Nuclear repulsion energy	182.608231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	977	971	50.19
2	A'	554	550	126.24
3	A'	464	461	27.49
4	A'	323	321	1.81
5	A"	1092	1085	163.79
6	A"	268	266	4.62

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.356	0.148	0.000
F2	-1.304	0.901	0.000
O3	0.356	-0.664	1.267
O4	0.356	-0.664	-1.267

	Cl1	F2	O3	O4
Cl1		1.8228	1.5052	1.5052
F2	1.8228		2.6099	2.6099
O3	1.5052	2.6099		2.5338
O4	1.5052	2.6099	2.5338

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.881		F2	Cl1	O4	102.881
O3	Cl1	O4	114.636

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	1.571
2	F	-0.401
3	O	-0.585
4	O	-0.585

	x	y	z	Total
	1.889	0.723	0.000	2.022
CHELPG
AIM
ESP

	x	y	z
x	4.519	-1.092	0.000
y	-1.092	4.300	0.000
z	0.000	0.000	5.657

<r²>	78.171
(<r²>)^1/2	8.841

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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