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	hartrees
Energy at 0K	-838.318814
Energy at 298.15K
HF Energy	-838.318814
Nuclear repulsion energy	413.349931

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'	895	815	0.00	8.18	0.00	0.00
2	A₁'	700	637	0.00	1.04	0.69	0.82
3	A₂"	1029	937	457.98	0.00	0.00	0.00
4	A₂"	616	561	73.61	0.00	0.00	0.00
5	E'	1113	1013	315.50	0.46	0.75	0.86
5	E'	1113	1013	315.50	0.46	0.75	0.86
6	E'	570	519	54.49	0.25	0.75	0.86
6	E'	570	519	54.49	0.25	0.75	0.86
7	E'	189	173	0.17	0.13	0.75	0.86
7	E'	189	173	0.17	0.13	0.75	0.86
8	E"	549	500	0.00	0.44	0.75	0.86
8	E"	549	500	0.00	0.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.519	0.000
F3	1.315	-0.759	0.000
F4	-1.315	-0.759	0.000
F5	0.000	0.000	1.561
F6	0.000	0.000	-1.561

	P1	F2	F3	F4	F5	F6
P1		1.5189	1.5189	1.5189	1.5606	1.5606
F2	1.5189		2.6309	2.6309	2.1778	2.1778
F3	1.5189	2.6309		2.6309	2.1778	2.1778
F4	1.5189	2.6309	2.6309		2.1778	2.1778
F5	1.5606	2.1778	2.1778	2.1778		3.1213
F6	1.5606	2.1778	2.1778	2.1778	3.1213

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/aug-cc-pVTZ

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	2.528
2	F	-0.451
3	F	-0.451
4	F	-0.451
5	F	-0.588
6	F	-0.588

<r²>	129.670
(<r²>)^1/2	11.387

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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