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	hartrees
Energy at 0K	-710.014811
Energy at 298.15K	-710.016587
HF Energy	-710.014811
Nuclear repulsion energy	192.991530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1131	1088	71.56
2	A'	639	615	165.84
3	A'	554	533	52.65
4	A'	403	387	2.01
5	A"	1274	1226	227.35
6	A"	352	338	7.26

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.338	0.157	0.000
F2	-1.238	0.810	0.000
O3	0.338	-0.622	1.205
O4	0.338	-0.622	-1.205

	Cl1	F2	O3	O4
Cl1		1.7057	1.4347	1.4347
F2	1.7057		2.4464	2.4464
O3	1.4347	2.4464		2.4102
O4	1.4347	2.4464	2.4102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.993		F2	Cl1	O4	101.993
O3	Cl1	O4	114.267

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

using model chemistry: HSEh1PBE/aug-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	1.601
2	F	-0.391
3	O	-0.605
4	O	-0.605

	x	y	z	Total
	1.491	1.066	0.000	1.833
CHELPG
AIM
ESP

	x	y	z
x	4.051	-0.766	0.000
y	-0.766	3.845	0.000
z	0.000	0.000	4.907

<r²>	71.225
(<r²>)^1/2	8.439

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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