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	hartrees
Energy at 0K	-829.188904
Energy at 298.15K
HF Energy	-829.188904
Nuclear repulsion energy	371.927296

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'	638	591	0.00	9.94	0.03	0.06
2	A₁'	602	557	0.00	3.35	0.33	0.50
3	A₂"	917	848	140.57	0.00	0.75	0.86
4	A₂"	391	361	23.35	0.00	0.75	0.86
5	E'	849	786	100.85	0.97	0.75	0.86
5	E'	849	786	100.85	0.97	0.75	0.86
6	E'	352	325	16.93	0.99	0.75	0.86
6	E'	352	325	16.93	0.99	0.75	0.86
7	E'	62	57	0.60	0.86	0.75	0.86
7	E'	62	57	0.60	0.86	0.75	0.86
8	E"	344	318	0.00	2.27	0.75	0.86
8	E"	344	318	0.00	2.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.706	0.000
F3	1.477	-0.853	0.000
F4	-1.477	-0.853	0.000
F5	0.000	0.000	1.708
F6	0.000	0.000	-1.708

	P1	F2	F3	F4	F5	F6
P1		1.7058	1.7058	1.7058	1.7077	1.7077
F2	1.7058		2.9546	2.9546	2.4137	2.4137
F3	1.7058	2.9546		2.9546	2.4137	2.4137
F4	1.7058	2.9546	2.9546		2.4137	2.4137
F5	1.7077	2.4137	2.4137	2.4137		3.4154
F6	1.7077	2.4137	2.4137	2.4137	3.4154

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: BLYP/STO-3G

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	0.911
2	F	-0.174
3	F	-0.174
4	F	-0.174
5	F	-0.195
6	F	-0.195

<r²>	151.676
(<r²>)^1/2	12.316

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

using model chemistry: BLYP/STO-3G

States and conformations

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