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	hartrees
Energy at 0K	-958.915535
Energy at 298.15K	-958.918138
Nuclear repulsion energy	408.329396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	683	657	80.37
2	A₁	514	495	8.67
3	A₁	441	425	35.92
4	B₁	339	327	0.00
5	B₂	477	459	0.00
6	B₂	247	238	0.00
7	E	759	731	437.33
7	E	759	731	437.33
8	E	440	423	0.02
8	E	440	423	0.02
9	E	272	262	0.05
9	E	272	262	0.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.314
F2	0.000	0.000	-1.346
F3	0.000	1.710	0.188
F4	-1.710	0.000	0.188
F5	0.000	-1.710	0.188
F6	1.710	0.000	0.188

	Cl1	F2	F3	F4	F5	F6
Cl1		1.6597	1.7142	1.7142	1.7142	1.7142
F2	1.6597		2.2974	2.2974	2.2974	2.2974
F3	1.7142	2.2974		2.4177	3.4192	2.4177
F4	1.7142	2.2974	2.4177		2.4177	3.4192
F5	1.7142	2.2974	3.4192	2.4177		2.4177
F6	1.7142	2.2974	2.4177	3.4192	2.4177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	85.817	F2	Cl1	F4	85.817
F2	Cl1	F5	85.817	F2	Cl1	F6	85.817
F3	Cl1	F4	89.695	F3	Cl1	F5	171.633
F3	Cl1	F6	89.695	F4	Cl1	F5	89.695
F4	Cl1	F6	171.633	F5	Cl1	F6	89.695

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: B3PW91/6-311G*

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	1.387
2	F	-0.172
3	F	-0.304
4	F	-0.304
5	F	-0.304
6	F	-0.304

	x	y	z	Total
	0.000	0.000	0.989	0.989
CHELPG
AIM
ESP

<r²>	148.814
(<r²>)^1/2	12.199

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)