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	hartrees
Energy at 0K	-956.194130
Energy at 298.15K	-956.197861
Nuclear repulsion energy	436.195062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	893	808	103.28
2	A₁	654	592	1.73
3	A₁	614	556	42.92
4	B₁	455	412	0.00
5	B₂	619	561	0.00
6	B₂	349	316	0.00
7	E	853	773	584.70
7	E	853	773	584.70
8	E	605	548	1.54
8	E	605	548	1.54
9	E	358	324	3.11
9	E	358	324	3.11

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.306
F2	0.000	0.000	-1.251
F3	0.000	1.601	0.168
F4	-1.601	0.000	0.168
F5	0.000	-1.601	0.168
F6	1.601	0.000	0.168

	Cl1	F2	F3	F4	F5	F6
Cl1		1.5572	1.6068	1.6068	1.6068	1.6068
F2	1.5572		2.1394	2.1394	2.1394	2.1394
F3	1.6068	2.1394		2.2640	3.2017	2.2640
F4	1.6068	2.1394	2.2640		2.2640	3.2017
F5	1.6068	2.1394	3.2017	2.2640		2.2640
F6	1.6068	2.1394	2.2640	3.2017	2.2640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	85.077	F2	Cl1	F4	85.077
F2	Cl1	F5	85.077	F2	Cl1	F6	85.077
F3	Cl1	F4	89.578	F3	Cl1	F5	170.154
F3	Cl1	F6	89.578	F4	Cl1	F5	89.578
F4	Cl1	F6	170.154	F5	Cl1	F6	89.578

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: HF/6-31G(2df,p)

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	Cl	1.426
2	F	-0.159
3	F	-0.317
4	F	-0.317
5	F	-0.317
6	F	-0.317

	x	y	z	Total
	0.000	0.000	0.555	0.555
CHELPG
AIM
ESP

<r²>	132.150
(<r²>)^1/2	11.496

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)