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	hartrees
Energy at 0K	-958.373544
Energy at 298.15K	-958.376021
Nuclear repulsion energy	406.451777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	697	688	74.87
2	A₁	537	529	8.92
3	A₁	414	409	18.05
4	B₁	320	316	0.00
5	B₂	488	481	0.00
6	B₂	233	230	0.00
7	E	778	768	357.15
7	E	778	768	357.15
8	E	410	405	0.06
8	E	410	405	0.06
9	E	256	252	0.01
9	E	256	252	0.01

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.309
F2	0.000	0.000	-1.362
F3	0.000	1.716	0.195
F4	-1.716	0.000	0.195
F5	0.000	-1.716	0.195
F6	1.716	0.000	0.195

	Cl1	F2	F3	F4	F5	F6
Cl1		1.6707	1.7196	1.7196	1.7196	1.7196
F2	1.6707		2.3165	2.3165	2.3165	2.3165
F3	1.7196	2.3165		2.4265	3.4315	2.4265
F4	1.7196	2.3165	2.4265		2.4265	3.4315
F5	1.7196	2.3165	3.4315	2.4265		2.4265
F6	1.7196	2.3165	2.4265	3.4315	2.4265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	86.186	F2	Cl1	F4	86.186
F2	Cl1	F5	86.186	F2	Cl1	F6	86.186
F3	Cl1	F4	89.747	F3	Cl1	F5	172.373
F3	Cl1	F6	89.747	F4	Cl1	F5	89.747
F4	Cl1	F6	172.373	F5	Cl1	F6	89.747

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: PBEPBE/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	Cl	1.534
2	F	-0.259
3	F	-0.319
4	F	-0.319
5	F	-0.319
6	F	-0.319

	x	y	z	Total
	0.000	0.000	0.768	0.768
CHELPG
AIM
ESP

<r²>	148.847
(<r²>)^1/2	12.200

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)