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	hartrees
Energy at 0K	-709.969134
Energy at 298.15K	-709.970723
HF Energy	-709.969134
Nuclear repulsion energy	187.868370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1037	1030	57.43
2	A'	591	587	131.39
3	A'	504	500	38.09
4	A'	355	353	1.97
5	A"	1178	1170	180.71
6	A"	305	303	5.34

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.347	0.150	0.000
F2	-1.273	0.859	0.000
O3	0.347	-0.643	1.233
O4	0.347	-0.643	-1.233

	Cl1	F2	O3	O4
Cl1		1.7680	1.4656	1.4656
F2	1.7680		2.5293	2.5293
O3	1.4656	2.5293		2.4654
O4	1.4656	2.5293	2.4654

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.522		F2	Cl1	O4	102.522
O3	Cl1	O4	114.511

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	0.863
2	F	-0.278
3	O	-0.293
4	O	-0.293

	x	y	z	Total
	1.618	0.840	0.000	1.823
CHELPG
AIM
ESP

	x	y	z
x	3.438	-0.899	0.000
y	-0.899	3.229	0.000
z	0.000	0.000	4.536

<r²>	74.247
(<r²>)^1/2	8.617

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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