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	hartrees
Energy at 0K	-839.817645
Energy at 298.15K
HF Energy	-839.570506
Nuclear repulsion energy	377.700852

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'	672	672	0.00	20.12	0.00	0.01
2	A₁'	632	632	0.00	4.05	0.73	0.85
3	A₂"	940	940	235.20	0.00	0.75	0.86
4	A₂"	438	438	59.27	0.00	0.75	0.86
5	E'	928	928	172.00	1.46	0.75	0.86
5	E'	928	928	172.01	1.46	0.75	0.86
6	E'	404	404	54.58	1.95	0.75	0.86
6	E'	404	404	54.58	1.95	0.75	0.86
7	E'	148	148	0.15	0.68	0.75	0.86
7	E'	148	148	0.15	0.68	0.75	0.86
8	E"	376	376	0.00	3.15	0.75	0.86
8	E"	376	376	0.00	3.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.673	0.000
F3	1.449	-0.837	0.000
F4	-1.449	-0.837	0.000
F5	0.000	0.000	1.691
F6	0.000	0.000	-1.691

	P1	F2	F3	F4	F5	F6
P1		1.6733	1.6733	1.6733	1.6912	1.6912
F2	1.6733		2.8983	2.8983	2.3791	2.3791
F3	1.6733	2.8983		2.8983	2.3791	2.3791
F4	1.6733	2.8983	2.8983		2.3791	2.3791
F5	1.6912	2.3791	2.3791	2.3791		3.3824
F6	1.6912	2.3791	2.3791	2.3791	3.3824

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: B2PLYP=FULLultrafine/6-31G

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

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

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