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	hartrees
Energy at 0K	-709.902837
Energy at 298.15K	-709.904480
HF Energy	-709.902837
Nuclear repulsion energy	188.003053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1070	1029	63.50
2	A'	614	591	167.40
3	A'	516	496	34.97
4	A'	368	354	1.42
5	A"	1194	1149	198.68
6	A"	313	302	7.10

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.345	0.157	0.000
F2	-1.266	0.846	0.000
O3	0.345	-0.643	1.235
O4	0.345	-0.643	-1.235

	Cl1	F2	O3	O4
Cl1		1.7527	1.4713	1.4713
F2	1.7527		2.5177	2.5177
O3	1.4713	2.5177		2.4702
O4	1.4713	2.5177	2.4702

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.338		F2	Cl1	O4	102.338
O3	Cl1	O4	114.174

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	1.763
2	F	-0.442
3	O	-0.661
4	O	-0.661

	x	y	z	Total
	1.718	1.038	0.000	2.007
CHELPG
AIM
ESP

	x	y	z
x	4.168	-0.934	0.000
y	-0.934	3.939	0.000
z	0.000	0.000	5.150

<r²>	74.362
(<r²>)^1/2	8.623

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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