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	hartrees
Energy at 0K	-706.517449
Energy at 298.15K	-706.518508
HF Energy	-706.517449
Nuclear repulsion energy	169.522662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	772	745	15.68
2	A'	510	493	51.78
3	A'	356	343	23.24
4	A'	266	257	5.37
5	A"	872	841	25.55
6	A"	223	215	4.54

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.365	0.173	0.000
F2	-1.339	0.983	0.000
O3	0.365	-0.736	1.382
O4	0.365	-0.736	-1.382

	Cl1	F2	O3	O4
Cl1		1.8869	1.6540	1.6540
F2	1.8869		2.7873	2.7873
O3	1.6540	2.7873		2.7635
O4	1.6540	2.7873	2.7635

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	103.646		F2	Cl1	O4	103.646
O3	Cl1	O4	113.311

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

using model chemistry: B3LYPultrafine/3-21G

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	1.085
2	F	-0.263
3	O	-0.411
4	O	-0.411

	x	y	z	Total
	1.678	1.339	0.000	2.147
CHELPG
AIM
ESP

	x	y	z
x	2.815	-1.427	0.000
y	-1.427	2.812	0.000
z	0.000	0.000	4.714

<r²>	86.909
(<r²>)^1/2	9.322

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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