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	hartrees
Energy at 0K	-959.331192
Energy at 298.15K	-959.333930
Nuclear repulsion energy	413.917065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	719	697	74.55
2	A₁	528	511	6.37
3	A₁	459	444	29.77
4	B₁	357	346	0.00
5	B₂	472	458	0.00
6	B₂	257	249	0.00
7	E	724	702	493.92
7	E	724	702	493.92
8	E	468	453	3.95
8	E	468	453	3.95
9	E	282	274	1.64
9	E	282	274	1.64

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.299
F2	0.000	0.000	-1.318
F3	0.000	1.691	0.189
F4	-1.691	0.000	0.189
F5	0.000	-1.691	0.189
F6	1.691	0.000	0.189

	Cl1	F2	F3	F4	F5	F6
Cl1		1.6172	1.6946	1.6946	1.6946	1.6946
F2	1.6172		2.2651	2.2651	2.2651	2.2651
F3	1.6946	2.2651		2.3914	3.3820	2.3914
F4	1.6946	2.2651	2.3914		2.3914	3.3820
F5	1.6946	2.2651	3.3820	2.3914		2.3914
F6	1.6946	2.2651	2.3914	3.3820	2.3914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	86.270	F2	Cl1	F4	86.270
F2	Cl1	F5	86.270	F2	Cl1	F6	86.270
F3	Cl1	F4	89.758	F3	Cl1	F5	172.541
F3	Cl1	F6	89.758	F4	Cl1	F5	89.758
F4	Cl1	F6	172.541	F5	Cl1	F6	89.758

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: B3LYP/aug-cc-pVQZ

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	1.824
2	F	-0.300
3	F	-0.381
4	F	-0.381
5	F	-0.381
6	F	-0.381

	x	y	z	Total
	0.000	0.000	0.564	0.564
CHELPG
AIM
ESP

<r²>	145.609
(<r²>)^1/2	12.067

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)