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	hartrees
Energy at 0K	-829.267291
Energy at 298.15K
HF Energy	-829.267291
Nuclear repulsion energy	373.525644

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'	645	645	0.00	9.99	0.03	0.06
2	A₁'	607	607	0.00	3.22	0.35	0.51
3	A₂"	923	923	148.38	0.00	0.75	0.86
4	A₂"	402	402	25.18	0.00	0.75	0.86
5	E'	859	859	106.96	0.96	0.75	0.86
5	E'	859	859	106.92	0.96	0.75	0.86
6	E'	361	361	18.56	0.98	0.75	0.86
6	E'	361	361	18.56	0.98	0.75	0.86
7	E'	66	66	0.67	0.83	0.75	0.86
7	E'	66	66	0.67	0.83	0.75	0.86
8	E"	354	354	0.00	2.22	0.75	0.86
8	E"	354	354	0.00	2.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.698	0.000
F3	1.470	-0.849	0.000
F4	-1.470	-0.849	0.000
F5	0.000	0.000	1.701
F6	0.000	0.000	-1.701

	P1	F2	F3	F4	F5	F6
P1		1.6979	1.6979	1.6979	1.7013	1.7013
F2	1.6979		2.9409	2.9409	2.4036	2.4036
F3	1.6979	2.9409		2.9409	2.4036	2.4036
F4	1.6979	2.9409	2.9409		2.4036	2.4036
F5	1.7013	2.4036	2.4036	2.4036		3.4026
F6	1.7013	2.4036	2.4036	2.4036	3.4026

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/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	0.965
2	F	-0.185
3	F	-0.185
4	F	-0.185
5	F	-0.206
6	F	-0.206

<r²>	150.627
(<r²>)^1/2	12.273

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

using model chemistry: B97D3/STO-3G

States and conformations

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