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	hartrees
Energy at 0K	-840.166759
Energy at 298.15K
HF Energy	-840.166759
Nuclear repulsion energy	402.068442

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'	780	745	0.00	12.70	0.00	0.00
2	A₁'	649	620	0.00	2.01	0.75	0.86
3	A₂"	965	921	442.10	0.00	0.75	0.86
4	A₂"	540	516	54.78	0.00	0.75	0.86
5	E'	1007	962	290.15	0.86	0.75	0.86
5	E'	1007	962	290.16	0.86	0.75	0.86
6	E'	500	478	42.04	0.70	0.75	0.86
6	E'	500	478	42.04	0.70	0.75	0.86
7	E'	160	153	0.02	0.31	0.75	0.86
7	E'	160	153	0.02	0.31	0.75	0.86
8	E"	477	456	0.00	1.03	0.75	0.86
8	E"	477	456	0.00	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.566	0.000
F3	1.356	-0.783	0.000
F4	-1.356	-0.783	0.000
F5	0.000	0.000	1.598
F6	0.000	0.000	-1.598

	P1	F2	F3	F4	F5	F6
P1		1.5658	1.5658	1.5658	1.5979	1.5979
F2	1.5658		2.7121	2.7121	2.2372	2.2372
F3	1.5658	2.7121		2.7121	2.2372	2.2372
F4	1.5658	2.7121	2.7121		2.2372	2.2372
F5	1.5979	2.2372	2.2372	2.2372		3.1958
F6	1.5979	2.2372	2.2372	2.2372	3.1958

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: HSEh1PBE/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	P	2.428
2	F	-0.458
3	F	-0.458
4	F	-0.458
5	F	-0.527
6	F	-0.527

<r²>	136.050
(<r²>)^1/2	11.664

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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