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	hartrees
Energy at 0K	-836.298644
Energy at 298.15K
HF Energy	-836.298644
Nuclear repulsion energy	404.933519

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'	841	798	0.00	7.42	0.00	0.01
2	A₁'	740	703	0.00	1.50	0.75	0.86
3	A₂"	1100	1044	349.25	0.00	0.75	0.86
4	A₂"	558	530	62.46	0.00	0.75	0.86
5	E'	1112	1056	243.82	0.40	0.75	0.86
5	E'	1112	1056	243.82	0.40	0.75	0.86
6	E'	515	489	50.69	0.80	0.75	0.86
6	E'	515	489	50.69	0.80	0.75	0.86
7	E'	167	159	0.25	0.29	0.75	0.86
7	E'	167	159	0.25	0.29	0.75	0.86
8	E"	492	467	0.00	1.51	0.75	0.86
8	E"	492	467	0.00	1.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.558	0.000
F3	1.350	-0.779	0.000
F4	-1.350	-0.779	0.000
F5	0.000	0.000	1.581
F6	0.000	0.000	-1.581

	P1	F2	F3	F4	F5	F6
P1		1.5584	1.5584	1.5584	1.5810	1.5810
F2	1.5584		2.6993	2.6993	2.2200	2.2200
F3	1.5584	2.6993		2.6993	2.2200	2.2200
F4	1.5584	2.6993	2.6993		2.2200	2.2200
F5	1.5810	2.2200	2.2200	2.2200		3.1621
F6	1.5810	2.2200	2.2200	2.2200	3.1621

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: mPW1PW91/3-21G*

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	1.453
2	F	-0.270
3	F	-0.270
4	F	-0.270
5	F	-0.321
6	F	-0.321

<r²>	133.565
(<r²>)^1/2	11.557

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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