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	hartrees
Energy at 0K	-836.319501
Energy at 298.15K
HF Energy	-836.319501
Nuclear repulsion energy	398.719641

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'	775	770	0.00	10.07	0.00	0.01
2	A₁'	689	685	0.00	2.04	0.75	0.86
3	A₂"	1019	1013	288.83	0.00	0.75	0.86
4	A₂"	527	523	48.90	0.00	0.75	0.86
5	E'	1033	1027	201.85	0.56	0.75	0.86
5	E'	1033	1027	201.85	0.56	0.75	0.86
6	E'	485	482	37.79	0.94	0.75	0.86
6	E'	485	482	37.78	0.94	0.75	0.86
7	E'	157	156	0.08	0.36	0.75	0.86
7	E'	157	156	0.08	0.36	0.75	0.86
8	E"	464	461	0.00	1.75	0.75	0.86
8	E"	464	461	0.00	1.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.583	0.000
F3	1.371	-0.792	0.000
F4	-1.371	-0.792	0.000
F5	0.000	0.000	1.605
F6	0.000	0.000	-1.605

	P1	F2	F3	F4	F5	F6
P1		1.5832	1.5832	1.5832	1.6049	1.6049
F2	1.5832		2.7422	2.7422	2.2544	2.2544
F3	1.5832	2.7422		2.7422	2.2544	2.2544
F4	1.5832	2.7422	2.7422		2.2544	2.2544
F5	1.6049	2.2544	2.2544	2.2544		3.2099
F6	1.6049	2.2544	2.2544	2.2544	3.2099

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: BLYP/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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Number	Element	Mulliken
1	P	1.274
2	F	-0.236
3	F	-0.236
4	F	-0.236
5	F	-0.283
6	F	-0.283

<r²>	136.953
(<r²>)^1/2	11.703

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

using model chemistry: BLYP/3-21G*

States and conformations

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