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	hartrees
Energy at 0K	-840.667765
Energy at 298.15K
HF Energy	-840.667765
Nuclear repulsion energy	409.005841

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'	820	785	0.00	9.36	0.00	0.00
2	A₁'	675	646	0.00	1.21	0.75	0.85
3	A₂"	1018	974	341.94	0.00	0.75	0.86
4	A₂"	570	546	46.91	0.00	0.75	0.86
5	E'	1044	1000	235.35	0.48	0.75	0.86
5	E'	1044	1000	235.29	0.48	0.75	0.86
6	E'	530	508	34.56	0.44	0.75	0.86
6	E'	530	508	34.57	0.43	0.75	0.86
7	E'	168	161	0.21	0.21	0.75	0.86
7	E'	168	161	0.21	0.21	0.75	0.86
8	E"	507	485	0.00	0.75	0.75	0.86
8	E"	507	485	0.00	0.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.540	0.000
F3	1.334	-0.770	0.000
F4	-1.334	-0.770	0.000
F5	0.000	0.000	1.569
F6	0.000	0.000	-1.569

	P1	F2	F3	F4	F5	F6
P1		1.5402	1.5402	1.5402	1.5695	1.5695
F2	1.5402		2.6676	2.6676	2.1989	2.1989
F3	1.5402	2.6676		2.6676	2.1989	2.1989
F4	1.5402	2.6676	2.6676		2.1989	2.1989
F5	1.5695	2.1989	2.1989	2.1989		3.1389
F6	1.5695	2.1989	2.1989	2.1989	3.1389

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: B1B95/6-31G(2df,p)

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	0.473
2	F	0.009
3	F	0.009
4	F	0.009
5	F	-0.249
6	F	-0.249

<r²>	131.073
(<r²>)^1/2	11.449

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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