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	hartrees
Energy at 0K	-710.093063
Energy at 298.15K	-710.094732
HF Energy	-710.093063
Nuclear repulsion energy	188.318140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1070	1070	70.90
2	A'	634	634	147.18
3	A'	517	517	37.25
4	A'	369	369	1.64
5	A"	1210	1210	195.03
6	A"	314	314	8.40

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.342	0.149	0.000
F2	-1.255	0.864	0.000
O3	0.342	-0.644	1.234
O4	0.342	-0.644	-1.234

	Cl1	F2	O3	O4
Cl1		1.7498	1.4674	1.4674
F2	1.7498		2.5200	2.5200
O3	1.4674	2.5200		2.4688
O4	1.4674	2.5200	2.4688

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.771		F2	Cl1	O4	102.771
O3	Cl1	O4	114.543

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

using model chemistry: B3PW91/cc-pCVDZ

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	1.022
2	F	-0.329
3	O	-0.347
4	O	-0.347

	x	y	z	Total
	1.730	1.096	0.000	2.048
CHELPG
AIM
ESP

	x	y	z
x	2.812	-0.931	0.000
y	-0.931	2.653	0.000
z	0.000	0.000	3.982

<r²>	73.894
(<r²>)^1/2	8.596

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

using model chemistry: B3PW91/cc-pCVDZ

States and conformations

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