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	hartrees
Energy at 0K	-840.834756
Energy at 298.15K
HF Energy	-840.834756
Nuclear repulsion energy	403.471691

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'	795	761	0.00	10.82	0.00	0.00
2	A₁'	653	625	0.00	1.87	0.75	0.85
3	A₂"	985	943	455.61	0.00	0.75	0.86
4	A₂"	557	533	60.13	0.00	0.75	0.86
5	E'	1013	969	306.78	0.70	0.75	0.86
5	E'	1013	969	306.73	0.70	0.75	0.86
6	E'	513	491	44.84	0.82	0.75	0.86
6	E'	513	491	44.84	0.82	0.75	0.86
7	E'	155	149	0.46	0.32	0.75	0.86
7	E'	155	149	0.46	0.32	0.75	0.86
8	E"	493	472	0.00	1.39	0.75	0.86
8	E"	493	472	0.00	1.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.561	0.000
F3	1.352	-0.781	0.000
F4	-1.352	-0.781	0.000
F5	0.000	0.000	1.591
F6	0.000	0.000	-1.591

	P1	F2	F3	F4	F5	F6
P1		1.5613	1.5613	1.5613	1.5910	1.5910
F2	1.5613		2.7043	2.7043	2.2291	2.2291
F3	1.5613	2.7043		2.7043	2.2291	2.2291
F4	1.5613	2.7043	2.7043		2.2291	2.2291
F5	1.5910	2.2291	2.2291	2.2291		3.1819
F6	1.5910	2.2291	2.2291	2.2291	3.1819

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: B1B95/TZVP

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	1.148
2	F	-0.199
3	F	-0.199
4	F	-0.199
5	F	-0.275
6	F	-0.275

<r²>	135.239
(<r²>)^1/2	11.629

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

using model chemistry: B1B95/TZVP

States and conformations

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