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	hartrees
Energy at 0K	-838.050724
Energy at 298.15K
HF Energy	-838.050724
Nuclear repulsion energy	409.995551

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'	874	789	0.00	5.89	0.00	0.00
2	A₁'	725	654	0.00	1.09	0.73	0.85
3	A₂"	1081	976	459.98	0.00	0.00	0.00
4	A₂"	598	540	65.62	0.00	0.00	0.00
5	E'	1122	1013	319.11	0.40	0.75	0.86
5	E'	1122	1013	319.11	0.40	0.75	0.86
6	E'	558	504	56.85	0.41	0.75	0.86
6	E'	558	504	56.85	0.41	0.75	0.86
7	E'	194	176	0.27	0.13	0.75	0.86
7	E'	194	176	0.27	0.13	0.75	0.86
8	E"	530	478	0.00	0.65	0.75	0.86
8	E"	530	478	0.00	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.535	0.000
F3	1.329	-0.767	0.000
F4	-1.329	-0.767	0.000
F5	0.000	0.000	1.568
F6	0.000	0.000	-1.568

	P1	F2	F3	F4	F5	F6
P1		1.5350	1.5350	1.5350	1.5679	1.5679
F2	1.5350		2.6586	2.6586	2.1942	2.1942
F3	1.5350	2.6586		2.6586	2.1942	2.1942
F4	1.5350	2.6586	2.6586		2.1942	2.1942
F5	1.5679	2.1942	2.1942	2.1942		3.1358
F6	1.5679	2.1942	2.1942	2.1942	3.1358

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/6-31G**

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	1.942
2	F	-0.368
3	F	-0.368
4	F	-0.368
5	F	-0.419
6	F	-0.419

<r²>	131.277
(<r²>)^1/2	11.458

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

using model chemistry: HF/6-31G**

States and conformations

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