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	hartrees
Energy at 0K	-708.514028
Energy at 298.15K	-708.516148
HF Energy	-708.514028
Nuclear repulsion energy	202.104723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1269	1153	109.90
2	A'	782	710	253.99
3	A'	674	612	59.54
4	A'	512	466	0.65
5	A"	1417	1288	332.06
6	A"	459	417	14.20

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.314	0.159	0.000
F2	-1.153	0.763	0.000
O3	0.314	-0.598	1.165
O4	0.314	-0.598	-1.165

	Cl1	F2	O3	O4
Cl1		1.5869	1.3889	1.3889
F2	1.5869		2.3155	2.3155
O3	1.3889	2.3155		2.3293
O4	1.3889	2.3155	2.3293

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.972		F2	Cl1	O4	101.972
O3	Cl1	O4	113.972

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

using model chemistry: HF/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	2.059
2	F	-0.422
3	O	-0.819
4	O	-0.819

	x	y	z	Total
	1.027	1.657	0.000	1.949
CHELPG
AIM
ESP

	x	y	z
x	3.407	-0.524	0.000
y	-0.524	3.315	0.000
z	0.000	0.000	4.087

<r²>	66.189
(<r²>)^1/2	8.136

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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