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	hartrees
Energy at 0K	-835.571157
Energy at 298.15K
HF Energy	-835.345354
Nuclear repulsion energy	391.988556

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'	770	734	0.00	13.79	0.00	0.00
2	A₁'	720	686	0.00	2.92	0.67	0.81
3	A₂"	1056	1005	235.58	0.00	0.75	0.86
4	A₂"	487	463	69.07	0.00	0.75	0.86
5	E'	1072	1021	170.73	0.98	0.75	0.86
5	E'	1072	1021	170.74	0.98	0.75	0.86
6	E'	451	429	63.46	1.33	0.75	0.86
6	E'	451	429	63.45	1.33	0.75	0.86
7	E'	167	159	0.09	0.45	0.75	0.86
7	E'	167	159	0.09	0.45	0.75	0.86
8	E"	419	399	0.00	2.25	0.75	0.86
8	E"	419	399	0.00	2.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.610	0.000
F3	1.395	-0.805	0.000
F4	-1.395	-0.805	0.000
F5	0.000	0.000	1.633
F6	0.000	0.000	-1.633

	P1	F2	F3	F4	F5	F6
P1		1.6103	1.6103	1.6103	1.6326	1.6326
F2	1.6103		2.7891	2.7891	2.2931	2.2931
F3	1.6103	2.7891		2.7891	2.2931	2.2931
F4	1.6103	2.7891	2.7891		2.2931	2.2931
F5	1.6326	2.2931	2.2931	2.2931		3.2653
F6	1.6326	2.2931	2.2931	2.2931	3.2653

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

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

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