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	hartrees
Energy at 0K	-710.195861
Energy at 298.15K	-710.197494
HF Energy	-710.195861
Nuclear repulsion energy	188.735287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1057	1013	64.62
2	A'	648	621	142.59
3	A'	516	495	35.28
4	A'	366	350	1.43
5	A"	1201	1150	181.50
6	A"	312	299	7.69

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.339	0.150	0.000
F2	-1.244	0.856	0.000
O3	0.339	-0.641	1.238
O4	0.339	-0.641	-1.238

	Cl1	F2	O3	O4
Cl1		1.7336	1.4694	1.4694
F2	1.7336		2.5062	2.5062
O3	1.4694	2.5062		2.4768
O4	1.4694	2.5062	2.4768

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.660		F2	Cl1	O4	102.660
O3	Cl1	O4	114.872

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

using model chemistry: B3LYPultrafine/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	1.240
2	F	-0.349
3	O	-0.446
4	O	-0.446

	x	y	z	Total
	1.470	1.263	0.000	1.938
CHELPG
AIM
ESP

	x	y	z
x	2.983	-0.850	0.000
y	-0.850	2.864	0.000
z	0.000	0.000	4.165

<r²>	73.519
(<r²>)^1/2	8.574

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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