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	hartrees
Energy at 0K	-838.067916
Energy at 298.15K
HF Energy	-838.067916
Nuclear repulsion energy	409.675730

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'	867	784	0.00	7.27	0.00	0.00
2	A₁'	703	636	0.00	1.35	0.74	0.85
3	A₂"	1047	947	509.03	0.00	0.00	0.00
4	A₂"	594	538	71.12	0.00	0.00	0.00
5	E'	1106	1000	343.25	0.55	0.75	0.86
5	E'	1106	1000	343.25	0.55	0.75	0.86
6	E'	557	504	57.69	0.42	0.75	0.86
6	E'	557	504	57.69	0.42	0.75	0.86
7	E'	185	167	0.17	0.15	0.75	0.86
7	E'	185	167	0.17	0.15	0.75	0.86
8	E"	528	477	0.00	0.64	0.75	0.86
8	E"	528	477	0.00	0.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.535	0.000
F3	1.329	-0.767	0.000
F4	-1.329	-0.767	0.000
F5	0.000	0.000	1.572
F6	0.000	0.000	-1.572

	P1	F2	F3	F4	F5	F6
P1		1.5346	1.5346	1.5346	1.5715	1.5715
F2	1.5346		2.6580	2.6580	2.1965	2.1965
F3	1.5346	2.6580		2.6580	2.1965	2.1965
F4	1.5346	2.6580	2.6580		2.1965	2.1965
F5	1.5715	2.1965	2.1965	2.1965		3.1430
F6	1.5715	2.1965	2.1965	2.1965	3.1430

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: HF/6-31+G**

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	3.175
2	F	-0.618
3	F	-0.618
4	F	-0.618
5	F	-0.661
6	F	-0.661

<r²>	131.913
(<r²>)^1/2	11.485

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

using model chemistry: HF/6-31+G**

States and conformations

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