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	hartrees
Energy at 0K	-838.107509
Energy at 298.15K
HF Energy	-838.107509
Nuclear repulsion energy	414.796974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	893	808	0.00	6.27	0.00	0.00
2	A₁'	714	646	0.00	0.85	0.75	0.86
3	A₂"	1078	976	412.34	0.00	0.00	0.00
4	A₂"	617	559	61.61	0.00	0.00	0.00
5	E'	1121	1015	291.20	0.35	0.75	0.86
5	E'	1121	1015	291.20	0.35	0.75	0.86
6	E'	578	524	48.06	0.27	0.75	0.86
6	E'	578	524	48.06	0.27	0.75	0.86
7	E'	193	175	0.36	0.12	0.75	0.86
7	E'	193	175	0.36	0.12	0.75	0.86
8	E"	550	498	0.00	0.48	0.75	0.86
8	E"	550	498	0.00	0.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.516	0.000
F3	1.313	-0.758	0.000
F4	-1.313	-0.758	0.000
F5	0.000	0.000	1.551
F6	0.000	0.000	-1.551

	P1	F2	F3	F4	F5	F6
P1		1.5161	1.5161	1.5161	1.5514	1.5514
F2	1.5161		2.6260	2.6260	2.1692	2.1692
F3	1.5161	2.6260		2.6260	2.1692	2.1692
F4	1.5161	2.6260	2.6260		2.1692	2.1692
F5	1.5514	2.1692	2.1692	2.1692		3.1028
F6	1.5514	2.1692	2.1692	2.1692	3.1028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	120.000	F2	P1	F4	120.000
F2	P1	F5	90.000	F2	P1	F6	90.000
F3	P1	F4	120.000	F3	P1	F5	90.000
F3	P1	F6	90.000	F4	P1	F5	90.000
F4	P1	F6	90.000	F5	P1	F6	180.000

All results from a given calculation for PF₅ (Phosphorus pentafluoride)

using model chemistry: HF/6-31G(2df,p)

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	P	1.213
2	F	-0.098
3	F	-0.098
4	F	-0.098
5	F	-0.459
6	F	-0.459

<r²>	128.362
(<r²>)^1/2	11.330

All results from a given calculation for PF5 (Phosphorus pentafluoride)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for PF₅ (Phosphorus pentafluoride)