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	hartrees
Energy at 0K	-836.194612
Energy at 298.15K
HF Energy	-836.194612
Nuclear repulsion energy	406.340814

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'	867	822	0.00	6.70	0.00	0.01
2	A₁'	756	716	0.00	1.40	0.75	0.86
3	A₂"	1121	1062	365.05	0.00	0.75	0.86
4	A₂"	572	542	70.53	0.00	0.75	0.86
5	E'	1137	1077	255.84	0.38	0.75	0.86
5	E'	1137	1077	255.85	0.38	0.75	0.86
6	E'	525	497	57.92	0.76	0.75	0.86
6	E'	525	497	57.94	0.76	0.75	0.86
7	E'	169	160	0.40	0.27	0.75	0.86
7	E'	169	160	0.40	0.27	0.75	0.86
8	E"	504	477	0.00	1.44	0.75	0.86
8	E"	504	477	0.00	1.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.552	0.000
F3	1.344	-0.776	0.000
F4	-1.344	-0.776	0.000
F5	0.000	0.000	1.577
F6	0.000	0.000	-1.577

	P1	F2	F3	F4	F5	F6
P1		1.5522	1.5522	1.5522	1.5767	1.5767
F2	1.5522		2.6886	2.6886	2.2126	2.2126
F3	1.5522	2.6886		2.6886	2.2126	2.2126
F4	1.5522	2.6886	2.6886		2.2126	2.2126
F5	1.5767	2.2126	2.2126	2.2126		3.1535
F6	1.5767	2.2126	2.2126	2.2126	3.1535

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: M06-2X/3-21G*

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	1.510
2	F	-0.281
3	F	-0.281
4	F	-0.281
5	F	-0.334
6	F	-0.334

<r²>	133.013
(<r²>)^1/2	11.533

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

using model chemistry: M06-2X/3-21G*

States and conformations

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