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	hartrees
Energy at 0K	-829.285672
Energy at 298.15K
HF Energy	-829.285672
Nuclear repulsion energy	380.308240

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'	691	691	0.00	9.37	0.02	0.05
2	A₁'	658	658	0.00	2.92	0.42	0.59
3	A₂"	992	992	163.26	0.00	0.75	0.86
4	A₂"	435	435	36.66	0.00	0.75	0.86
5	E'	933	933	104.33	1.03	0.75	0.86
5	E'	933	933	104.31	1.03	0.75	0.86
6	E'	394	394	29.52	0.91	0.75	0.86
6	E'	394	394	29.51	0.91	0.75	0.86
7	E'	96	96	0.48	0.69	0.75	0.86
7	E'	96	96	0.48	0.69	0.75	0.86
8	E"	381	381	0.00	2.32	0.75	0.86
8	E"	381	381	0.00	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.666	0.000
F3	1.443	-0.833	0.000
F4	-1.443	-0.833	0.000
F5	0.000	0.000	1.673
F6	0.000	0.000	-1.673

	P1	F2	F3	F4	F5	F6
P1		1.6664	1.6664	1.6664	1.6727	1.6727
F2	1.6664		2.8864	2.8864	2.3612	2.3612
F3	1.6664	2.8864		2.8864	2.3612	2.3612
F4	1.6664	2.8864	2.8864		2.3612	2.3612
F5	1.6727	2.3612	2.3612	2.3612		3.3454
F6	1.6727	2.3612	2.3612	2.3612	3.3454

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: wB97X-D/STO-3G

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	1.103
2	F	-0.208
3	F	-0.208
4	F	-0.208
5	F	-0.239
6	F	-0.239

<r²>	146.294
(<r²>)^1/2	12.095

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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