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	hartrees
Energy at 0K	-710.108333
Energy at 298.15K	-710.109831
HF Energy	-710.108333
Nuclear repulsion energy	185.952755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1013	994	54.67
2	A'	592	581	114.06
3	A'	483	474	33.07
4	A'	337	330	1.24
5	A"	1152	1129	162.78
6	A"	283	277	5.58

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.345	0.143	0.000
F2	-1.263	0.892	0.000
O3	0.345	-0.653	1.252
O4	0.345	-0.653	-1.252

	Cl1	F2	O3	O4
Cl1		1.7740	1.4839	1.4839
F2	1.7740		2.5577	2.5577
O3	1.4839	2.5577		2.5046
O4	1.4839	2.5577	2.5046

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	103.093		F2	Cl1	O4	103.093
O3	Cl1	O4	115.113

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

using model chemistry: B97D3/6-31G*

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	1.159
2	F	-0.336
3	O	-0.412
4	O	-0.412

	x	y	z	Total
	1.540	1.018	0.000	1.846
CHELPG
AIM
ESP

	x	y	z
x	3.093	-0.923	0.000
y	-0.923	2.986	0.000
z	0.000	0.000	4.370

<r²>	75.257
(<r²>)^1/2	8.675

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

using model chemistry: B97D3/6-31G*

States and conformations

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