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	hartrees
Energy at 0K	-709.842289
Energy at 298.15K	-709.843899
HF Energy	-709.587190
Nuclear repulsion energy	188.259440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1067	1067	56.58
2	A'	630	630	137.50
3	A'	509	509	40.73
4	A'	357	357	1.18
5	A"	1215	1215	167.22
6	A"	304	304	7.46

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.342	0.150	0.000
F2	-1.255	0.851	0.000
O3	0.342	-0.638	1.242
O4	0.342	-0.638	-1.242

	Cl1	F2	O3	O4
Cl1		1.7440	1.4708	1.4708
F2	1.7440		2.5119	2.5119
O3	1.4708	2.5119		2.4835
O4	1.4708	2.5119	2.4835

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.435		F2	Cl1	O4	102.435
O3	Cl1	O4	115.189

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

using model chemistry: B2PLYP/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	1.248
2	F	-0.367
3	O	-0.441
4	O	-0.441

	x	y	z	Total
	1.602	1.139	0.000	1.966
CHELPG
AIM
ESP

	x	y	z
x	3.043	-0.885	0.000
y	-0.885	2.912	0.000
z	0.000	0.000	4.329

<r²>	73.923
(<r²>)^1/2	8.598

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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