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	hartrees
Energy at 0K	-838.350472
Energy at 298.15K
HF Energy	-838.350472
Nuclear repulsion energy	414.910480

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'	905	820	0.00	5.69	0.00	0.00
2	A₁'	706	639	0.00	1.14	0.73	0.84
3	A₂"	1037	940	485.72	0.00	0.00	0.00
4	A₂"	623	565	74.74	0.00	0.00	0.00
5	E'	1124	1019	335.03	0.42	0.75	0.86
5	E'	1124	1019	335.03	0.42	0.75	0.86
6	E'	577	523	55.71	0.34	0.75	0.86
6	E'	577	523	55.71	0.34	0.75	0.86
7	E'	192	174	0.16	0.13	0.75	0.86
7	E'	192	174	0.16	0.13	0.75	0.86
8	E"	556	504	0.00	0.65	0.75	0.86
8	E"	556	504	0.00	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.513	0.000
F3	1.310	-0.757	0.000
F4	-1.310	-0.757	0.000
F5	0.000	0.000	1.555
F6	0.000	0.000	-1.555

	P1	F2	F3	F4	F5	F6
P1		1.5131	1.5131	1.5131	1.5550	1.5550
F2	1.5131		2.6207	2.6207	2.1696	2.1696
F3	1.5131	2.6207		2.6207	2.1696	2.1696
F4	1.5131	2.6207	2.6207		2.1696	2.1696
F5	1.5550	2.1696	2.1696	2.1696		3.1099
F6	1.5550	2.1696	2.1696	2.1696	3.1099

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/Def2TZVPP

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	1.500
2	F	-0.266
3	F	-0.266
4	F	-0.266
5	F	-0.351
6	F	-0.351

<r²>	128.759
(<r²>)^1/2	11.347

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

using model chemistry: HF/Def2TZVPP

States and conformations

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