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	hartrees
Energy at 0K	-710.141776
Energy at 298.15K	-710.143502
HF Energy	-710.141776
Nuclear repulsion energy	191.188574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1112	1055	71.61
2	A'	683	648	160.23
3	A'	539	512	37.42
4	A'	386	366	1.59
5	A"	1261	1196	206.49
6	A"	333	316	8.65

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.335	0.153	0.000
F2	-1.227	0.833	0.000
O3	0.335	-0.631	1.226
O4	0.335	-0.631	-1.226

	Cl1	F2	O3	O4
Cl1		1.7035	1.4546	1.4546
F2	1.7035		2.4665	2.4665
O3	1.4546	2.4665		2.4516
O4	1.4546	2.4665	2.4516

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.416		F2	Cl1	O4	102.416
O3	Cl1	O4	114.853

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

using model chemistry: mPW1PW91/6-31G*

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	1.278
2	F	-0.356
3	O	-0.461
4	O	-0.461

	x	y	z	Total
	1.386	1.339	0.000	1.927
CHELPG
AIM
ESP

	x	y	z
x	2.900	-0.785	0.000
y	-0.785	2.794	0.000
z	0.000	0.000	4.056

<r²>	71.939
(<r²>)^1/2	8.482

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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