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	hartrees
Energy at 0K	-710.251138
Energy at 298.15K	-710.252783
HF Energy	-710.251138
Nuclear repulsion energy	188.553896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1075	1030	63.97
2	A'	615	589	170.98
3	A'	517	495	35.95
4	A'	368	352	1.36
5	A"	1203	1152	199.55
6	A"	313	300	7.41

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.345	0.157	0.000
F2	-1.264	0.840	0.000
O3	0.345	-0.640	1.232
O4	0.345	-0.640	-1.232

	Cl1	F2	O3	O4
Cl1		1.7472	1.4673	1.4673
F2	1.7472		2.5088	2.5088
O3	1.4673	2.5088		2.4640
O4	1.4673	2.5088	2.4640

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.254		F2	Cl1	O4	102.254
O3	Cl1	O4	114.206

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

using model chemistry: B1B95/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	1.735
2	F	-0.440
3	O	-0.647
4	O	-0.647

	x	y	z	Total
	1.731	1.052	0.000	2.026
CHELPG
AIM
ESP

	x	y	z
x	4.126	-0.926	0.000
y	-0.926	3.890	0.000
z	0.000	0.000	5.094

<r²>	73.958
(<r²>)^1/2	8.600

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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