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	hartrees
Energy at 0K	-709.830875
Energy at 298.15K	-709.832606
HF Energy	-709.830875
Nuclear repulsion energy	191.173036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1114	1063	71.49
2	A'	683	652	159.17
3	A'	539	514	37.05
4	A'	385	368	1.57
5	A"	1263	1205	206.32
6	A"	332	317	8.54

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.335	0.153	0.000
F2	-1.228	0.832	0.000
O3	0.335	-0.630	1.226
O4	0.335	-0.630	-1.226

	Cl1	F2	O3	O4
Cl1		1.7038	1.4547	1.4547
F2	1.7038		2.4665	2.4665
O3	1.4547	2.4665		2.4519
O4	1.4547	2.4665	2.4519

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.401		F2	Cl1	O4	102.401
O3	Cl1	O4	114.867

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

using model chemistry: HSEh1PBE/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	1.268
2	F	-0.353
3	O	-0.457
4	O	-0.457

	x	y	z	Total
	1.376	1.326	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	2.904	-0.782	0.000
y	-0.782	2.799	0.000
z	0.000	0.000	4.059

<r²>	71.962
(<r²>)^1/2	8.483

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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