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	hartrees
Energy at 0K	-710.324349
Energy at 298.15K	-710.325942
HF Energy	-710.324349
Nuclear repulsion energy	189.090840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1049	1049	61.00
2	A'	573	573	105.02
3	A'	508	508	67.05
4	A'	358	358	5.62
5	A"	1195	1195	191.24
6	A"	312	312	5.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.348	0.145	0.000
F2	-1.276	0.856	0.000
O3	0.348	-0.636	1.221
O4	0.348	-0.636	-1.221

	Cl1	F2	O3	O4
Cl1		1.7731	1.4491	1.4491
F2	1.7731		2.5207	2.5207
O3	1.4491	2.5207		2.4419
O4	1.4491	2.5207	2.4419

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.480		F2	Cl1	O4	102.480
O3	Cl1	O4	114.826

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

using model chemistry: B97D3/aug-cc-pVQZ

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	1.573
2	F	-0.359
3	O	-0.607
4	O	-0.607

	x	y	z	Total
	1.716	0.706	0.000	1.856
CHELPG
AIM
ESP

	x	y	z
x	4.380	-0.897	0.000
y	-0.897	4.135	0.000
z	0.000	0.000	5.260

<r²>	73.789
(<r²>)^1/2	8.590

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

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

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