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	hartrees
Energy at 0K	-710.387428
Energy at 298.15K	-710.389154
HF Energy	-710.387428
Nuclear repulsion energy	192.711584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1118	1081	72.85
2	A'	614	594	130.90
3	A'	542	524	77.78
4	A'	390	377	4.39
5	A"	1273	1231	224.92
6	A"	341	330	6.74

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.342	0.150	0.000
F2	-1.253	0.817	0.000
O3	0.342	-0.619	1.203
O4	0.342	-0.619	-1.203

	Cl1	F2	O3	O4
Cl1		1.7290	1.4274	1.4274
F2	1.7290		2.4601	2.4601
O3	1.4274	2.4601		2.4063
O4	1.4274	2.4601	2.4063

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.986		F2	Cl1	O4	101.986
O3	Cl1	O4	114.887

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	1.083
2	F	-0.383
3	O	-0.350
4	O	-0.350

	x	y	z	Total
	1.625	0.902	0.000	1.859
CHELPG
AIM
ESP

	x	y	z
x	4.039	-0.794	0.000
y	-0.794	3.774	0.000
z	0.000	0.000	4.834

<r²>	71.665
(<r²>)^1/2	8.466

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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