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	hartrees
Energy at 0K	-840.582482
Energy at 298.15K
HF Energy	-840.582482
Nuclear repulsion energy	397.504656

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'	777	744	0.00	9.25	0.00	0.01
2	A₁'	667	640	0.00	1.78	0.75	0.86
3	A₂"	998	957	378.89	0.00	0.75	0.86
4	A₂"	527	505	54.40	0.00	0.75	0.86
5	E'	1013	971	261.75	0.63	0.75	0.86
5	E'	1013	970	261.74	0.63	0.75	0.86
6	E'	491	470	42.29	0.85	0.75	0.86
6	E'	491	470	42.29	0.85	0.75	0.86
7	E'	148	142	0.56	0.37	0.75	0.86
7	E'	148	142	0.56	0.37	0.75	0.86
8	E"	462	443	0.00	1.63	0.75	0.86
8	E"	462	443	0.00	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.585	0.000
F3	1.373	-0.793	0.000
F4	-1.373	-0.793	0.000
F5	0.000	0.000	1.614
F6	0.000	0.000	-1.614

	P1	F2	F3	F4	F5	F6
P1		1.5852	1.5852	1.5852	1.6142	1.6142
F2	1.5852		2.7456	2.7456	2.2624	2.2624
F3	1.5852	2.7456		2.7456	2.2624	2.2624
F4	1.5852	2.7456	2.7456		2.2624	2.2624
F5	1.6142	2.2624	2.2624	2.2624		3.2283
F6	1.6142	2.2624	2.2624	2.2624	3.2283

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/cc-pVDZ

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	1.199
2	F	-0.224
3	F	-0.224
4	F	-0.224
5	F	-0.263
6	F	-0.263

<r²>	138.175
(<r²>)^1/2	11.755

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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