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	hartrees
Energy at 0K	-127.308017
Energy at 298.15K
HF Energy	-127.308017
Nuclear repulsion energy	153.935844

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'	632	632	0.00	25.44	0.01	0.01
2	A₁'	589	589	0.00	4.85	0.75	0.86
3	A₂"	888	888	296.02	0.00	0.75	0.86
4	A₂"	430	430	59.43	0.00	0.75	0.86
5	E'	866	866	214.75	2.07	0.75	0.86
5	E'	866	866	213.90	2.08	0.75	0.86
6	E'	394	394	51.21	2.19	0.75	0.86
6	E'	394	394	51.18	2.19	0.75	0.86
7	E'	118	118	0.85	0.95	0.75	0.86
7	E'	118	118	0.85	0.95	0.75	0.86
8	E"	374	374	0.00	3.23	0.75	0.86
8	E"	374	374	0.00	3.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.686	0.000
F3	1.460	-0.843	0.000
F4	-1.460	-0.843	0.000
F5	0.000	0.000	1.702
F6	0.000	0.000	-1.702

	P1	F2	F3	F4	F5	F6
P1		1.6858	1.6858	1.6858	1.7017	1.7017
F2	1.6858		2.9199	2.9199	2.3954	2.3954
F3	1.6858	2.9199		2.9199	2.3954	2.3954
F4	1.6858	2.9199	2.9199		2.3954	2.3954
F5	1.7017	2.3954	2.3954	2.3954		3.4035
F6	1.7017	2.3954	2.3954	2.3954	3.4035

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/CEP-121G

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	1.482
2	F	-0.284
3	F	-0.284
4	F	-0.284
5	F	-0.314
6	F	-0.314

<r²>	125.688
(<r²>)^1/2	11.211

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

using model chemistry: wB97X-D/CEP-121G

States and conformations

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