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	hartrees
Energy at 0K	-710.188342
Energy at 298.15K	-710.189755
HF Energy	-710.188342
Nuclear repulsion energy	183.503845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	960	952	49.28
2	A'	583	578	104.49
3	A'	462	458	27.92
4	A'	319	316	1.50
5	A"	1094	1085	141.36
6	A"	264	262	5.09

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.348	0.141	0.000
F2	-1.275	0.913	0.000
O3	0.348	-0.664	1.270
O4	0.348	-0.664	-1.270

	Cl1	F2	O3	O4
Cl1		1.7967	1.5035	1.5035
F2	1.7967		2.5944	2.5944
O3	1.5035	2.5944		2.5396
O4	1.5035	2.5944	2.5396

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	103.293		F2	Cl1	O4	103.293
O3	Cl1	O4	115.246

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

using model chemistry: BLYP/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	1.126
2	F	-0.321
3	O	-0.402
4	O	-0.402

	x	y	z	Total
	1.534	1.003	0.000	1.833
CHELPG
AIM
ESP

	x	y	z
x	3.151	-0.973	0.000
y	-0.973	3.053	0.000
z	0.000	0.000	4.479

<r²>	76.988
(<r²>)^1/2	8.774

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

using model chemistry: BLYP/6-31G*

States and conformations

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