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	hartrees
Energy at 0K	-829.431376
Energy at 298.15K
HF Energy	-829.431376
Nuclear repulsion energy	376.999817

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'	670	670	0.00	9.36	0.03	0.06
2	A₁'	635	635	0.00	3.24	0.32	0.48
3	A₂"	965	965	153.74	0.00	0.75	0.86
4	A₂"	411	411	29.53	0.00	0.75	0.86
5	E'	897	897	103.83	0.98	0.75	0.86
5	E'	897	897	103.82	0.98	0.75	0.86
6	E'	371	371	22.30	0.95	0.75	0.86
6	E'	371	371	22.30	0.95	0.75	0.86
7	E'	78	78	0.53	0.76	0.75	0.86
7	E'	78	78	0.53	0.76	0.75	0.86
8	E"	359	359	0.00	2.29	0.75	0.86
8	E"	359	359	0.00	2.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.682	0.000
F3	1.457	-0.841	0.000
F4	-1.457	-0.841	0.000
F5	0.000	0.000	1.686
F6	0.000	0.000	-1.686

	P1	F2	F3	F4	F5	F6
P1		1.6821	1.6821	1.6821	1.6859	1.6859
F2	1.6821		2.9135	2.9135	2.3815	2.3815
F3	1.6821	2.9135		2.9135	2.3815	2.3815
F4	1.6821	2.9135	2.9135		2.3815	2.3815
F5	1.6859	2.3815	2.3815	2.3815		3.3718
F6	1.6859	2.3815	2.3815	2.3815	3.3718

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: TPSSh/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	1.005
2	F	-0.190
3	F	-0.190
4	F	-0.190
5	F	-0.217
6	F	-0.217

<r²>	148.299
(<r²>)^1/2	12.178

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

using model chemistry: TPSSh/STO-3G

States and conformations

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