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	hartrees
Energy at 0K	-710.092418
Energy at 298.15K	-710.094102
HF Energy	-709.764683
Nuclear repulsion energy	190.619647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1089	1045	60.70
2	A'	610	585	141.75
3	A'	527	506	60.26
4	A'	377	361	3.07
5	A"	1239	1189	189.38
6	A"	330	317	7.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.344	0.154	0.000
F2	-1.260	0.827	0.000
O3	0.344	-0.629	1.217
O4	0.344	-0.629	-1.217

	Cl1	F2	O3	O4
Cl1		1.7388	1.4470	1.4470
F2	1.7388		2.4841	2.4841
O3	1.4470	2.4841		2.4347
O4	1.4470	2.4841	2.4347

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.084		F2	Cl1	O4	102.084
O3	Cl1	O4	114.549

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

using model chemistry: B2PLYP/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	0.946
2	F	-0.304
3	O	-0.321
4	O	-0.321

	x	y	z	Total
	1.696	0.935	0.000	1.936
CHELPG
AIM
ESP

	x	y	z
x	3.352	-0.865	0.000
y	-0.865	3.124	0.000
z	0.000	0.000	4.418

<r²>	72.613
(<r²>)^1/2	8.521

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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