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	hartrees
Energy at 0K	-840.834798
Energy at 298.15K
HF Energy	-840.834798
Nuclear repulsion energy	407.442946

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'	813	776	0.00	9.27	0.00	0.00
2	A₁'	645	616	0.00	1.66	0.74	0.85
3	A₂"	948	906	431.60	0.00	0.75	0.86
4	A₂"	571	545	57.72	0.00	0.75	0.86
5	E'	1022	976	289.86	0.63	0.75	0.86
5	E'	1022	976	289.88	0.63	0.75	0.86
6	E'	527	504	40.39	0.57	0.75	0.86
6	E'	527	504	40.37	0.57	0.75	0.86
7	E'	170	162	0.04	0.24	0.75	0.86
7	E'	170	162	0.04	0.24	0.75	0.86
8	E"	508	485	0.00	1.05	0.75	0.86
8	E"	508	485	0.00	1.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.543	0.000
F3	1.336	-0.771	0.000
F4	-1.336	-0.771	0.000
F5	0.000	0.000	1.581
F6	0.000	0.000	-1.581

	P1	F2	F3	F4	F5	F6
P1		1.5428	1.5428	1.5428	1.5805	1.5805
F2	1.5428		2.6721	2.6721	2.2086	2.2086
F3	1.5428	2.6721		2.6721	2.2086	2.2086
F4	1.5428	2.6721	2.6721		2.2086	2.2086
F5	1.5805	2.2086	2.2086	2.2086		3.1610
F6	1.5805	2.2086	2.2086	2.2086	3.1610

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: wB97X-D/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	1.123
2	F	-0.191
3	F	-0.191
4	F	-0.191
5	F	-0.275
6	F	-0.275

<r²>	132.600
(<r²>)^1/2	11.515

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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