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	hartrees
Energy at 0K	-953.426779
Energy at 298.15K	-953.428603
HF Energy	-953.426779
Nuclear repulsion energy	390.205830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	624	601	39.86
2	A₁	487	469	7.23
3	A₁	347	334	32.26
4	B₁	251	242	0.00
5	B₂	478	461	0.00
6	B₂	180	173	0.00
7	E	766	737	216.94
7	E	766	737	216.94
8	E	327	315	2.54
8	E	327	315	2.54
9	E	195	188	1.01
9	E	195	188	1.01

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.360
F2	0.000	0.000	-1.407
F3	0.000	1.784	0.181
F4	-1.784	0.000	0.181
F5	0.000	-1.784	0.181
F6	1.784	0.000	0.181

	Cl1	F2	F3	F4	F5	F6
Cl1		1.7670	1.7930	1.7930	1.7930	1.7930
F2	1.7670		2.3885	2.3885	2.3885	2.3885
F3	1.7930	2.3885		2.5230	3.5681	2.5230
F4	1.7930	2.3885	2.5230		2.5230	3.5681
F5	1.7930	2.3885	3.5681	2.5230		2.5230
F6	1.7930	2.3885	2.5230	3.5681	2.5230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	84.274	F2	Cl1	F4	84.274
F2	Cl1	F5	84.274	F2	Cl1	F6	84.274
F3	Cl1	F4	89.430	F3	Cl1	F5	168.549
F3	Cl1	F6	89.430	F4	Cl1	F5	89.430
F4	Cl1	F6	168.549	F5	Cl1	F6	89.430

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: HSEh1PBE/3-21G

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	1.376
2	F	-0.219
3	F	-0.289
4	F	-0.289
5	F	-0.289
6	F	-0.289

	x	y	z	Total
	0.000	0.000	1.545	1.545
CHELPG
AIM
ESP

<r²>	159.491
(<r²>)^1/2	12.629

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)