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	hartrees
Energy at 0K	-840.913795
Energy at 298.15K
HF Energy	-840.913795
Nuclear repulsion energy	408.625618

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'	822	822	0.00	9.29	0.00	0.00
2	A₁'	661	661	0.00	1.63	0.75	0.86
3	A₂"	976	976	425.24	0.00	0.75	0.86
4	A₂"	570	570	57.31	0.00	0.75	0.86
5	E'	1037	1037	283.59	0.63	0.75	0.86
5	E'	1037	1037	283.60	0.63	0.75	0.86
6	E'	525	525	40.38	0.56	0.75	0.86
6	E'	525	525	40.37	0.56	0.75	0.86
7	E'	169	169	0.06	0.24	0.75	0.86
7	E'	169	169	0.06	0.25	0.75	0.86
8	E"	506	506	0.00	1.03	0.75	0.86
8	E"	506	506	0.00	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.539	0.000
F3	1.333	-0.769	0.000
F4	-1.333	-0.769	0.000
F5	0.000	0.000	1.575
F6	0.000	0.000	-1.575

	P1	F2	F3	F4	F5	F6
P1		1.5388	1.5388	1.5388	1.5751	1.5751
F2	1.5388		2.6654	2.6654	2.2020	2.2020
F3	1.5388	2.6654		2.6654	2.2020	2.2020
F4	1.5388	2.6654	2.6654		2.2020	2.2020
F5	1.5751	2.2020	2.2020	2.2020		3.1502
F6	1.5751	2.2020	2.2020	2.2020	3.1502

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: B1B95/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	1.075
2	F	-0.185
3	F	-0.185
4	F	-0.185
5	F	-0.260
6	F	-0.260

<r²>	131.936
(<r²>)^1/2	11.486

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

using model chemistry: B1B95/Def2TZVPP

States and conformations

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