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	hartrees
Energy at 0K	-708.117148
Energy at 298.15K	-708.118912
HF Energy	-708.117148
Nuclear repulsion energy	194.064201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1131	1120	65.76
2	A'	654	648	159.09
3	A'	542	537	42.15
4	A'	397	393	0.82
5	A"	1290	1277	209.49
6	A"	345	342	6.09

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.336	0.155	0.000
F2	-1.231	0.800	0.000
O3	0.336	-0.615	1.202
O4	0.336	-0.615	-1.202

	Cl1	F2	O3	O4
Cl1		1.6945	1.4275	1.4275
F2	1.6945		2.4296	2.4296
O3	1.4275	2.4296		2.4037
O4	1.4275	2.4296	2.4037

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.855		F2	Cl1	O4	101.855
O3	Cl1	O4	114.684

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

using model chemistry: LSDA/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	0.801
2	F	-0.243
3	O	-0.279
4	O	-0.279

	x	y	z	Total
	1.323	0.936	0.000	1.620
CHELPG
AIM
ESP

	x	y	z
x	3.233	-0.711	0.000
y	-0.711	3.043	0.000
z	0.000	0.000	4.241

<r²>	70.369
(<r²>)^1/2	8.389

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

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

States and conformations

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