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	hartrees
Energy at 0K	-835.517429
Energy at 298.15K
HF Energy	-835.517429
Nuclear repulsion energy	386.433625

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'	712	705	0.00	14.04	0.00	0.00
2	A₁'	673	667	0.00	3.26	0.60	0.75
3	A₂"	988	979	198.99	0.00	0.75	0.86
4	A₂"	444	440	48.01	0.00	0.75	0.86
5	E'	1000	991	147.48	0.96	0.75	0.86
5	E'	1000	991	147.48	0.96	0.75	0.86
6	E'	412	408	41.86	1.35	0.75	0.86
6	E'	412	408	41.86	1.35	0.75	0.86
7	E'	150	149	0.02	0.49	0.75	0.86
7	E'	150	149	0.02	0.49	0.75	0.86
8	E"	381	378	0.00	2.29	0.75	0.86
8	E"	381	378	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	1.634	0.000
F3	1.415	-0.817	0.000
F4	-1.415	-0.817	0.000
F5	0.000	0.000	1.655
F6	0.000	0.000	-1.655

	P1	F2	F3	F4	F5	F6
P1		1.6341	1.6341	1.6341	1.6552	1.6552
F2	1.6341		2.8303	2.8303	2.3259	2.3259
F3	1.6341	2.8303		2.8303	2.3259	2.3259
F4	1.6341	2.8303	2.8303		2.3259	2.3259
F5	1.6552	2.3259	2.3259	2.3259		3.3103
F6	1.6552	2.3259	2.3259	2.3259	3.3103

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: PBEPBEultrafine/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	1.606
2	F	-0.307
3	F	-0.307
4	F	-0.307
5	F	-0.343
6	F	-0.343

<r²>	145.266
(<r²>)^1/2	12.053

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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