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	hartrees
Energy at 0K	-836.087953
Energy at 298.15K
HF Energy	-836.087953
Nuclear repulsion energy	385.130245

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'	698	694	0.00	14.21	0.00	0.00
2	A₁'	658	654	0.00	3.55	0.56	0.72
3	A₂"	962	957	193.55	0.00	0.75	0.86
4	A₂"	443	441	46.89	0.00	0.75	0.86
5	E'	981	976	143.50	1.02	0.75	0.86
5	E'	981	976	143.50	1.02	0.75	0.86
6	E'	410	407	40.93	1.37	0.75	0.86
6	E'	410	407	40.93	1.37	0.75	0.86
7	E'	149	148	0.02	0.51	0.75	0.86
7	E'	149	148	0.02	0.51	0.75	0.86
8	E"	381	379	0.00	2.32	0.75	0.86
8	E"	381	379	0.00	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.639	0.000
F3	1.419	-0.820	0.000
F4	-1.419	-0.820	0.000
F5	0.000	0.000	1.662
F6	0.000	0.000	-1.662

	P1	F2	F3	F4	F5	F6
P1		1.6391	1.6391	1.6391	1.6616	1.6616
F2	1.6391		2.8390	2.8390	2.3339	2.3339
F3	1.6391	2.8390		2.8390	2.3339	2.3339
F4	1.6391	2.8390	2.8390		2.3339	2.3339
F5	1.6616	2.3339	2.3339	2.3339		3.3231
F6	1.6616	2.3339	2.3339	2.3339	3.3231

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/3-21G

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	1.595
2	F	-0.305
3	F	-0.305
4	F	-0.305
5	F	-0.340
6	F	-0.340

<r²>	146.099
(<r²>)^1/2	12.087

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

using model chemistry: BLYP/3-21G

States and conformations

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