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	hartrees
Energy at 0K	-958.911927
Energy at 298.15K	-958.914723
Nuclear repulsion energy	413.376595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	739	703	84.11
2	A₁	550	523	6.97
3	A₁	471	448	35.74
4	B₁	350	334	0.00
5	B₂	502	478	0.00
6	B₂	260	248	0.00
7	E	768	731	513.39
7	E	768	731	513.39
8	E	463	440	0.34
8	E	463	440	0.34
9	E	282	268	0.48
9	E	282	268	0.48

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.310
F2	0.000	0.000	-1.326
F3	0.000	1.690	0.185
F4	-1.690	0.000	0.185
F5	0.000	-1.690	0.185
F6	1.690	0.000	0.185

	Cl1	F2	F3	F4	F5	F6
Cl1		1.6357	1.6943	1.6943	1.6943	1.6943
F2	1.6357		2.2672	2.2672	2.2672	2.2672
F3	1.6943	2.2672		2.3897	3.3796	2.3897
F4	1.6943	2.2672	2.3897		2.3897	3.3796
F5	1.6943	2.2672	3.3796	2.3897		2.3897
F6	1.6943	2.2672	2.3897	3.3796	2.3897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Cl1	F3	85.798	F2	Cl1	F4	85.798
F2	Cl1	F5	85.798	F2	Cl1	F6	85.798
F3	Cl1	F4	89.692	F3	Cl1	F5	171.596
F3	Cl1	F6	89.692	F4	Cl1	F5	89.692
F4	Cl1	F6	171.596	F5	Cl1	F6	89.692

All results from a given calculation for ClF₅ (chlorinepentafluoride)

using model chemistry: mPW1PW91/6-31+G**

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	1.838
2	F	-0.319
3	F	-0.380
4	F	-0.380
5	F	-0.380
6	F	-0.380

	x	y	z	Total
	0.000	0.000	0.810	0.810
CHELPG
AIM
ESP

<r²>	145.828
(<r²>)^1/2	12.076

All results from a given calculation for ClF5 (chlorinepentafluoride)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for ClF₅ (chlorinepentafluoride)