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	hartrees
Energy at 0K	-710.178593
Energy at 298.15K	-710.180218
HF Energy	-710.178593
Nuclear repulsion energy	187.877725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1058	1020	75.79
2	A'	598	577	163.91
3	A'	516	498	52.20
4	A'	364	351	2.53
5	A"	1189	1147	221.49
6	A"	315	304	9.38

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.347	0.153	0.000
F2	-1.273	0.856	0.000
O3	0.347	-0.644	1.231
O4	0.347	-0.644	-1.231

	Cl1	F2	O3	O4
Cl1		1.7662	1.4666	1.4666
F2	1.7662		2.5281	2.5281
O3	1.4666	2.5281		2.4623
O4	1.4666	2.5281	2.4623

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.497		F2	Cl1	O4	102.497
O3	Cl1	O4	114.165

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

using model chemistry: B3PW91/TZVP

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	0.898
2	F	-0.321
3	O	-0.288
4	O	-0.288

	x	y	z	Total
	1.967	1.083	0.000	2.245
CHELPG
AIM
ESP

	x	y	z
x	3.354	-1.031	0.000
y	-1.031	3.175	0.000
z	0.000	0.000	4.601

<r²>	74.700
(<r²>)^1/2	8.643

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

using model chemistry: B3PW91/TZVP

States and conformations

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