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	hartrees
Energy at 0K	-840.986751
Energy at 298.15K
HF Energy	-840.986751
Nuclear repulsion energy	404.822909

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'	785	785	0.00	11.88	0.00	0.00
2	A₁'	634	634	0.00	1.61	0.74	0.85
3	A₂"	934	934	383.64	0.00	0.75	0.86
4	A₂"	552	552	51.43	0.00	0.75	0.86
5	E'	995	995	258.45	0.69	0.75	0.86
5	E'	995	995	258.47	0.69	0.75	0.86
6	E'	509	509	35.57	0.55	0.75	0.86
6	E'	509	509	35.57	0.55	0.75	0.86
7	E'	163	163	0.04	0.27	0.75	0.86
7	E'	163	163	0.04	0.27	0.75	0.86
8	E"	490	490	0.00	0.93	0.75	0.86
8	E"	490	490	0.00	0.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.553	0.000
F3	1.345	-0.777	0.000
F4	-1.345	-0.777	0.000
F5	0.000	0.000	1.590
F6	0.000	0.000	-1.590

	P1	F2	F3	F4	F5	F6
P1		1.5532	1.5532	1.5532	1.5901	1.5901
F2	1.5532		2.6902	2.6902	2.2228	2.2228
F3	1.5532	2.6902		2.6902	2.2228	2.2228
F4	1.5532	2.6902	2.6902		2.2228	2.2228
F5	1.5901	2.2228	2.2228	2.2228		3.1802
F6	1.5901	2.2228	2.2228	2.2228	3.1802

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: TPSSh/cc-pVQZ

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	1.329
2	F	-0.238
3	F	-0.238
4	F	-0.238
5	F	-0.308
6	F	-0.308

<r²>	134.099
(<r²>)^1/2	11.580

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

using model chemistry: TPSSh/cc-pVQZ

States and conformations

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