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	hartrees
Energy at 0K	-710.071261
Energy at 298.15K	-710.073061
HF Energy	-710.071261
Nuclear repulsion energy	192.161026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1121	1068	84.25
2	A'	677	645	220.15
3	A'	559	533	48.70
4	A'	408	388	0.91
5	A"	1275	1214	255.33
6	A"	360	343	12.13

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.337	0.159	0.000
F2	-1.235	0.805	0.000
O3	0.337	-0.622	1.218
O4	0.337	-0.622	-1.218

	Cl1	F2	O3	O4
Cl1		1.6988	1.4472	1.4472
F2	1.6988		2.4472	2.4472
O3	1.4472	2.4472		2.4360
O4	1.4472	2.4472	2.4360

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.835		F2	Cl1	O4	101.835
O3	Cl1	O4	114.628

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

using model chemistry: M06-2X/6-31+G**

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	1.267
2	F	-0.375
3	O	-0.446
4	O	-0.446

	x	y	z	Total
	1.717	1.404	0.000	2.218
CHELPG
AIM
ESP

	x	y	z
x	3.553	-0.845	0.000
y	-0.845	3.375	0.000
z	0.000	0.000	4.692

<r²>	71.941
(<r²>)^1/2	8.482

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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