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	hartrees
Energy at 0K	-840.449043
Energy at 298.15K
HF Energy	-840.449043
Nuclear repulsion energy	392.587719

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	718	0.00	11.51	0.00	0.01
2	A₁'	629	623	0.00	2.11	0.74	0.85
3	A₂"	942	934	348.68	0.00	0.75	0.86
4	A₂"	505	501	45.02	0.00	0.75	0.86
5	E'	953	944	243.49	0.74	0.75	0.86
5	E'	953	944	243.49	0.74	0.75	0.86
6	E'	469	465	34.25	1.00	0.75	0.86
6	E'	469	465	34.24	1.00	0.75	0.86
7	E'	139	138	0.37	0.45	0.75	0.86
7	E'	139	138	0.37	0.45	0.75	0.86
8	E"	443	439	0.00	1.84	0.75	0.86
8	E"	443	439	0.00	1.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.606	0.000
F3	1.391	-0.803	0.000
F4	-1.391	-0.803	0.000
F5	0.000	0.000	1.633
F6	0.000	0.000	-1.633

	P1	F2	F3	F4	F5	F6
P1		1.6061	1.6061	1.6061	1.6328	1.6328
F2	1.6061		2.7818	2.7818	2.2903	2.2903
F3	1.6061	2.7818		2.7818	2.2903	2.2903
F4	1.6061	2.7818	2.7818		2.2903	2.2903
F5	1.6328	2.2903	2.2903	2.2903		3.2655
F6	1.6328	2.2903	2.2903	2.2903	3.2655

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: B97D3/cc-pVDZ

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	1.137
2	F	-0.213
3	F	-0.213
4	F	-0.213
5	F	-0.249
6	F	-0.249

<r²>	140.947
(<r²>)^1/2	11.872

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

using model chemistry: B97D3/cc-pVDZ

States and conformations

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