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	hartrees
Energy at 0K	-840.825946
Energy at 298.15K
HF Energy	-840.825946
Nuclear repulsion energy	401.424466

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'	766	766	0.00	10.74	0.00	0.00
2	A₁'	629	629	0.00	1.81	0.75	0.86
3	A₂"	947	947	416.08	0.00	0.75	0.86
4	A₂"	542	542	59.38	0.00	0.75	0.86
5	E'	985	985	285.34	0.58	0.75	0.86
5	E'	985	985	285.36	0.58	0.75	0.86
6	E'	499	499	43.19	0.95	0.75	0.86
6	E'	499	499	43.19	0.95	0.75	0.86
7	E'	160	160	0.06	0.37	0.75	0.86
7	E'	160	160	0.06	0.37	0.75	0.86
8	E"	478	478	0.00	1.76	0.75	0.86
8	E"	478	478	0.00	1.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.569	0.000
F3	1.359	-0.785	0.000
F4	-1.359	-0.785	0.000
F5	0.000	0.000	1.599
F6	0.000	0.000	-1.599

	P1	F2	F3	F4	F5	F6
P1		1.5694	1.5694	1.5694	1.5988	1.5988
F2	1.5694		2.7183	2.7183	2.2404	2.2404
F3	1.5694	2.7183		2.7183	2.2404	2.2404
F4	1.5694	2.7183	2.7183		2.2404	2.2404
F5	1.5988	2.2404	2.2404	2.2404		3.1977
F6	1.5988	2.2404	2.2404	2.2404	3.1977

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: TPSSh/6-311G**

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	1.541
2	F	-0.282
3	F	-0.282
4	F	-0.282
5	F	-0.348
6	F	-0.348

<r²>	136.443
(<r²>)^1/2	11.681

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

using model chemistry: TPSSh/6-311G**

States and conformations

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