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	hartrees
Energy at 0K	-709.951033
Energy at 298.15K	-709.952556
HF Energy	-709.670708
Nuclear repulsion energy	186.494723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1033	1033	61.05
2	A'	570	570	113.42
3	A'	494	494	60.02
4	A'	338	338	2.74
5	A"	1175	1175	176.87
6	A"	286	286	8.10

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.354	0.143	0.000
F2	-1.298	0.875	0.000
O3	0.354	-0.644	1.236
O4	0.354	-0.644	-1.236

	Cl1	F2	O3	O4
Cl1		1.8069	1.4651	1.4651
F2	1.8069		2.5619	2.5619
O3	1.4651	2.5619		2.4717
O4	1.4651	2.5619	2.4717

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.560		F2	Cl1	O4	102.560
O3	Cl1	O4	115.025

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

using model chemistry: B2PLYP/6-311G**

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	1.088
2	F	-0.380
3	O	-0.354
4	O	-0.354

	x	y	z	Total
	2.200	0.855	0.000	2.360
CHELPG
AIM
ESP

	x	y	z
x	3.153	-1.082	0.000
y	-1.082	2.885	0.000
z	0.000	0.000	4.331

<r²>	75.879
(<r²>)^1/2	8.711

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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