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	hartrees
Energy at 0K	-706.451869
Energy at 298.15K	-706.452786
HF Energy	-706.451869
Nuclear repulsion energy	166.068576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	740	728	13.52
2	A'	460	453	42.13
3	A'	340	334	17.43
4	A'	246	242	5.55
5	A"	825	811	29.90
6	A"	200	196	3.17

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.372	0.157	0.000
F2	-1.366	1.048	0.000
O3	0.372	-0.757	1.402
O4	0.372	-0.757	-1.402

	Cl1	F2	O3	O4
Cl1		1.9529	1.6738	1.6738
F2	1.9529		2.8713	2.8713
O3	1.6738	2.8713		2.8042
O4	1.6738	2.8713	2.8042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	104.426		F2	Cl1	O4	104.426
O3	Cl1	O4	113.789

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

using model chemistry: B97D3/3-21G

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	1.000
2	F	-0.252
3	O	-0.374
4	O	-0.374

	x	y	z	Total
	1.778	0.997	0.000	2.038
CHELPG
AIM
ESP

	x	y	z
x	2.859	-1.482	0.000
y	-1.482	2.949	0.000
z	0.000	0.000	4.894

<r²>	90.110
(<r²>)^1/2	9.493

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

using model chemistry: B97D3/3-21G

States and conformations

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