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	hartrees
Energy at 0K	-125.803017
Energy at 298.15K
HF Energy	-125.803017
Nuclear repulsion energy	167.017987

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'	855	772	0.00	7.52	0.00	0.00
2	A₁'	685	619	0.00	1.36	0.74	0.85
3	A₂"	1016	918	482.51	0.00	0.00	0.00
4	A₂"	595	538	75.31	0.00	0.00	0.00
5	E'	1079	975	332.71	0.55	0.75	0.86
5	E'	1079	975	332.71	0.55	0.75	0.86
6	E'	551	498	58.05	0.46	0.75	0.86
6	E'	551	498	58.05	0.46	0.75	0.86
7	E'	181	163	0.48	0.18	0.75	0.86
7	E'	181	163	0.48	0.18	0.75	0.86
8	E"	528	477	0.00	0.74	0.75	0.86
8	E"	528	477	0.00	0.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.544	0.000
F3	1.337	-0.772	0.000
F4	-1.337	-0.772	0.000
F5	0.000	0.000	1.583
F6	0.000	0.000	-1.583

	P1	F2	F3	F4	F5	F6
P1		1.5438	1.5438	1.5438	1.5834	1.5834
F2	1.5438		2.6739	2.6739	2.2114	2.2114
F3	1.5438	2.6739		2.6739	2.2114	2.2114
F4	1.5438	2.6739	2.6739		2.2114	2.2114
F5	1.5834	2.2114	2.2114	2.2114		3.1669
F6	1.5834	2.2114	2.2114	2.2114	3.1669

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/CEP-121G*

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	1.309
2	F	-0.246
3	F	-0.246
4	F	-0.246
5	F	-0.286
6	F	-0.286

<r²>	108.466
(<r²>)^1/2	10.415

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

using model chemistry: HF/CEP-121G*

States and conformations

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