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	hartrees
Energy at 0K	-840.280901
Energy at 298.15K
HF Energy	-840.280901
Nuclear repulsion energy	395.812004

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'	724	715	0.00	14.40	0.00	0.01
2	A₁'	602	595	0.00	2.39	0.74	0.85
3	A₂"	910	900	410.45	0.00	0.75	0.86
4	A₂"	523	517	48.33	0.00	0.75	0.86
5	E'	931	920	276.88	0.89	0.75	0.86
5	E'	931	920	276.88	0.89	0.75	0.86
6	E'	481	475	34.95	1.03	0.75	0.86
6	E'	481	475	34.95	1.03	0.75	0.86
7	E'	144	142	0.21	0.42	0.75	0.86
7	E'	144	142	0.21	0.42	0.75	0.86
8	E"	463	457	0.00	1.72	0.75	0.86
8	E"	463	457	0.00	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.592	0.000
F3	1.379	-0.796	0.000
F4	-1.379	-0.796	0.000
F5	0.000	0.000	1.620
F6	0.000	0.000	-1.620

	P1	F2	F3	F4	F5	F6
P1		1.5925	1.5925	1.5925	1.6203	1.6203
F2	1.5925		2.7582	2.7582	2.2719	2.2719
F3	1.5925	2.7582		2.7582	2.2719	2.2719
F4	1.5925	2.7582	2.7582		2.2719	2.2719
F5	1.6203	2.2719	2.2719	2.2719		3.2406
F6	1.6203	2.2719	2.2719	2.2719	3.2406

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/TZVP

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	1.041
2	F	-0.180
3	F	-0.180
4	F	-0.180
5	F	-0.251
6	F	-0.251

<r²>	139.804
(<r²>)^1/2	11.824

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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