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	hartrees
Energy at 0K	-840.212793
Energy at 298.15K
HF Energy	-839.863084
Nuclear repulsion energy	396.442301

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'	769	737	0.00	10.10	0.00	0.01
2	A₁'	662	634	0.00	1.91	0.75	0.86
3	A₂"	989	948	375.15	0.00	0.75	0.86
4	A₂"	527	505	56.13	0.00	0.75	0.86
5	E'	1006	964	259.15	0.68	0.75	0.86
5	E'	1006	964	259.14	0.68	0.75	0.86
6	E'	491	471	44.15	0.93	0.75	0.86
6	E'	491	471	44.15	0.93	0.75	0.86
7	E'	150	143	0.61	0.39	0.75	0.86
7	E'	150	143	0.61	0.39	0.75	0.86
8	E"	462	443	0.00	1.72	0.75	0.86
8	E"	462	443	0.00	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.589	0.000
F3	1.376	-0.795	0.000
F4	-1.376	-0.795	0.000
F5	0.000	0.000	1.619
F6	0.000	0.000	-1.619

	P1	F2	F3	F4	F5	F6
P1		1.5891	1.5891	1.5891	1.6189	1.6189
F2	1.5891		2.7525	2.7525	2.2685	2.2685
F3	1.5891	2.7525		2.7525	2.2685	2.2685
F4	1.5891	2.7525	2.7525		2.2685	2.2685
F5	1.6189	2.2685	2.2685	2.2685		3.2378
F6	1.6189	2.2685	2.2685	2.2685	3.2378

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/cc-pVDZ

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/cc-pVDZ

States and conformations

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