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	hartrees
Energy at 0K	-135.483038
Energy at 298.15K	-135.485633
Nuclear repulsion energy	177.874615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	696	672	78.21
2	A₁	527	509	11.20
3	A₁	439	424	30.39
4	B₁	341	330	0.00
5	B₂	488	471	0.00
6	B₂	243	234	0.00
7	E	764	737	459.87
7	E	764	737	459.87
8	E	438	423	0.17
8	E	438	423	0.17
9	E	274	264	0.15
9	E	274	264	0.15

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.310
F2	0.000	0.000	-1.361
F3	0.000	1.723	0.194
F4	-1.723	0.000	0.194
F5	0.000	-1.723	0.194
F6	1.723	0.000	0.194

	Cl1	F2	F3	F4	F5	F6
Cl1		1.6717	1.7269	1.7269	1.7269	1.7269
F2	1.6717		2.3211	2.3211	2.3211	2.3211
F3	1.7269	2.3211		2.4366	3.4459	2.4366
F4	1.7269	2.3211	2.4366		2.4366	3.4459
F5	1.7269	2.3211	3.4459	2.4366		2.4366
F6	1.7269	2.3211	2.4366	3.4459	2.4366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	86.133	F2	Cl1	F4	86.133
F2	Cl1	F5	86.133	F2	Cl1	F6	86.133
F3	Cl1	F4	89.739	F3	Cl1	F5	172.267
F3	Cl1	F6	89.739	F4	Cl1	F5	89.739
F4	Cl1	F6	172.267	F5	Cl1	F6	89.739

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	Cl	1.108
2	F	-0.116
3	F	-0.248
4	F	-0.248
5	F	-0.248
6	F	-0.248

	x	y	z	Total
	0.000	0.000	0.757	0.757
CHELPG
AIM
ESP

<r²>	121.602
(<r²>)^1/2	11.027

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)