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	hartrees
Energy at 0K	-784.885942
Energy at 298.15K	-784.888852
Nuclear repulsion energy	288.211970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1042	991	72.04
2	A₁	752	715	171.74
3	A₁	514	489	3.46
4	E	1289	1226	233.59
4	E	1289	1226	233.58
5	E	547	520	29.99
5	E	547	520	29.98
6	E	363	345	0.47
6	E	363	345	0.47

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	-1.503
Cl2	0.000	0.000	0.151
O3	0.000	1.405	0.457
O4	-1.217	-0.703	0.457
O5	1.217	-0.703	0.457

	F1	Cl2	O3	O4	O5
F1		1.6532	2.4114	2.4114	2.4114
Cl2	1.6532		1.4384	1.4384	1.4384
O3	2.4114	1.4384		2.4342	2.4342
O4	2.4114	1.4384	2.4342		2.4343
O5	2.4114	1.4384	2.4342	2.4343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	Cl2	O3	102.298	F1	Cl2	O4	102.298
F1	Cl2	O5	102.298	O3	Cl2	O4	115.591
O3	Cl2	O5	115.591	O4	Cl2	O5	115.591

All results from a given calculation for ClFO₃ (Perchloryl fluoride)

using model chemistry: HSEh1PBE/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	F	-0.296
2	Cl	1.543
3	O	-0.416
4	O	-0.416
5	O	-0.416

	x	y	z	Total
	0.000	0.000	-0.044	0.044
CHELPG
AIM
ESP

<r²>	94.279
(<r²>)^1/2	9.710

All results from a given calculation for ClFO3 (Perchloryl fluoride)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for ClFO₃ (Perchloryl fluoride)