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	hartrees
Energy at 0K	-710.272581
Energy at 298.15K	-710.274126
HF Energy	-710.272581
Nuclear repulsion energy	185.387499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1013	983	59.69
2	A'	582	565	153.11
3	A'	494	479	33.88
4	A'	347	337	1.98
5	A"	1131	1097	181.19
6	A"	294	285	6.54

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.351	0.153	0.000
F2	-1.287	0.873	0.000
O3	0.351	-0.654	1.248
O4	0.351	-0.654	-1.248

	Cl1	F2	O3	O4
Cl1		1.7890	1.4864	1.4864
F2	1.7890		2.5633	2.5633
O3	1.4864	2.5633		2.4962
O4	1.4864	2.5633	2.4962

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.609		F2	Cl1	O4	102.609
O3	Cl1	O4	114.212

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

using model chemistry: B3LYP/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	1.707
2	F	-0.442
3	O	-0.632
4	O	-0.632

	x	y	z	Total
	1.885	0.954	0.000	2.113
CHELPG
AIM
ESP

	x	y	z
x	4.335	-1.042	0.000
y	-1.042	4.084	0.000
z	0.000	0.000	5.344

<r²>	76.285
(<r²>)^1/2	8.734

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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