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	hartrees
Energy at 0K	-838.369730
Energy at 298.15K
HF Energy	-838.369730
Nuclear repulsion energy	414.711339

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'	898	816	0.00	8.00	0.00	0.00
2	A₁'	696	633	0.00	0.99	0.68	0.81
3	A₂"	1022	928	461.68	0.00	0.00	0.00
4	A₂"	619	563	73.11	0.00	0.00	0.00
5	E'	1115	1013	318.40	0.43	0.75	0.86
5	E'	1115	1013	318.40	0.43	0.75	0.86
6	E'	573	520	53.56	0.24	0.75	0.86
6	E'	573	520	53.56	0.24	0.75	0.86
7	E'	191	174	0.12	0.12	0.75	0.86
7	E'	191	174	0.12	0.12	0.75	0.86
8	E"	553	502	0.00	0.41	0.75	0.86
8	E"	553	502	0.00	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.513	0.000
F3	1.311	-0.757	0.000
F4	-1.311	-0.757	0.000
F5	0.000	0.000	1.556
F6	0.000	0.000	-1.556

	P1	F2	F3	F4	F5	F6
P1		1.5134	1.5134	1.5134	1.5564	1.5564
F2	1.5134		2.6212	2.6212	2.1709	2.1709
F3	1.5134	2.6212		2.6212	2.1709	2.1709
F4	1.5134	2.6212	2.6212		2.1709	2.1709
F5	1.5564	2.1709	2.1709	2.1709		3.1128
F6	1.5564	2.1709	2.1709	2.1709	3.1128

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: HF/aug-cc-pVQZ

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	3.371
2	F	-0.609
3	F	-0.609
4	F	-0.609
5	F	-0.772
6	F	-0.772

<r²>	128.892
(<r²>)^1/2	11.353

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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