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	hartrees
Energy at 0K	-840.140024
Energy at 298.15K
HF Energy	-840.140024
Nuclear repulsion energy	392.201843

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'	713	713	0.00	20.27	0.00	0.00
2	A₁'	611	611	0.00	2.32	0.75	0.85
3	A₂"	906	906	356.07	0.00	0.75	0.86
4	A₂"	496	496	40.38	0.00	0.75	0.86
5	E'	932	932	237.89	1.13	0.75	0.86
5	E'	932	932	237.89	1.14	0.75	0.86
6	E'	458	458	30.21	0.62	0.75	0.86
6	E'	458	458	30.21	0.62	0.75	0.86
7	E'	145	145	0.10	0.40	0.75	0.86
7	E'	145	145	0.10	0.40	0.75	0.86
8	E"	434	434	0.00	0.98	0.75	0.86
8	E"	434	434	0.00	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.606	0.000
F3	1.391	-0.803	0.000
F4	-1.391	-0.803	0.000
F5	0.000	0.000	1.636
F6	0.000	0.000	-1.636

	P1	F2	F3	F4	F5	F6
P1		1.6065	1.6065	1.6065	1.6362	1.6362
F2	1.6065		2.7825	2.7825	2.2930	2.2930
F3	1.6065	2.7825		2.7825	2.2930	2.2930
F4	1.6065	2.7825	2.7825		2.2930	2.2930
F5	1.6362	2.2930	2.2930	2.2930		3.2725
F6	1.6362	2.2930	2.2930	2.2930	3.2725

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: PBEPBE/daug-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	3.092
2	F	-0.537
3	F	-0.537
4	F	-0.537
5	F	-0.740
6	F	-0.740

<r²>	141.913
(<r²>)^1/2	11.913

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

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

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