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	hartrees
Energy at 0K	-840.715278
Energy at 298.15K
HF Energy	-840.715278
Nuclear repulsion energy	390.074631

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'	694	693	0.00	20.20	0.00	0.00
2	A₁'	596	595	0.00	2.94	0.74	0.85
3	A₂"	882	880	364.08	0.00	0.75	0.86
4	A₂"	488	487	39.52	0.00	0.75	0.86
5	E'	911	909	244.86	1.44	0.75	0.86
5	E'	911	909	244.85	1.43	0.75	0.86
6	E'	451	451	30.59	0.70	0.75	0.86
6	E'	451	451	30.59	0.70	0.75	0.86
7	E'	145	145	0.09	0.45	0.75	0.86
7	E'	145	145	0.09	0.45	0.75	0.86
8	E"	426	426	0.00	1.10	0.75	0.86
8	E"	426	426	0.00	1.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.615	0.000
F3	1.399	-0.807	0.000
F4	-1.399	-0.807	0.000
F5	0.000	0.000	1.646
F6	0.000	0.000	-1.646

	P1	F2	F3	F4	F5	F6
P1		1.6149	1.6149	1.6149	1.6456	1.6456
F2	1.6149		2.7971	2.7971	2.3056	2.3056
F3	1.6149	2.7971		2.7971	2.3056	2.3056
F4	1.6149	2.7971	2.7971		2.3056	2.3056
F5	1.6456	2.3056	2.3056	2.3056		3.2912
F6	1.6456	2.3056	2.3056	2.3056	3.2912

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: BLYP/aug-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	2.049
2	F	-0.377
3	F	-0.377
4	F	-0.377
5	F	-0.459
6	F	-0.459

<r²>	143.434
(<r²>)^1/2	11.976

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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