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	hartrees
Energy at 0K	-840.868461
Energy at 298.15K
HF Energy	-840.868461
Nuclear repulsion energy	407.811092

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'	816	816	0.00	9.35	0.00	0.00
2	A₁'	654	654	0.00	1.65	0.75	0.85
3	A₂"	964	964	421.84	0.00	0.75	0.86
4	A₂"	570	570	56.43	0.00	0.75	0.86
5	E'	1029	1029	282.41	0.63	0.75	0.86
5	E'	1029	1029	282.40	0.63	0.75	0.86
6	E'	526	526	39.81	0.56	0.75	0.86
6	E'	526	526	39.81	0.56	0.75	0.86
7	E'	170	170	0.05	0.24	0.75	0.86
7	E'	170	170	0.05	0.24	0.75	0.86
8	E"	507	507	0.00	1.03	0.75	0.86
8	E"	507	507	0.00	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.542	0.000
F3	1.335	-0.771	0.000
F4	-1.335	-0.771	0.000
F5	0.000	0.000	1.579
F6	0.000	0.000	-1.579

	P1	F2	F3	F4	F5	F6
P1		1.5416	1.5416	1.5416	1.5787	1.5787
F2	1.5416		2.6701	2.6701	2.2066	2.2066
F3	1.5416	2.6701		2.6701	2.2066	2.2066
F4	1.5416	2.6701	2.6701		2.2066	2.2066
F5	1.5787	2.2066	2.2066	2.2066		3.1574
F6	1.5787	2.2066	2.2066	2.2066	3.1574

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: mPW1PW91/Def2TZVPP

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	1.087
2	F	-0.185
3	F	-0.185
4	F	-0.185
5	F	-0.266
6	F	-0.266

<r²>	132.396
(<r²>)^1/2	11.506

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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