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	hartrees
Energy at 0K	-840.044636
Energy at 298.15K
HF Energy	-840.044636
Nuclear repulsion energy	397.900524

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'	750	740	0.00	11.91	0.00	0.01
2	A₁'	648	639	0.00	1.89	0.75	0.86
3	A₂"	966	953	329.84	0.00	0.75	0.86
4	A₂"	523	515	40.28	0.00	0.75	0.86
5	E'	983	970	224.42	0.63	0.75	0.86
5	E'	983	970	224.42	0.63	0.75	0.86
6	E'	482	475	30.84	0.81	0.75	0.86
6	E'	482	475	30.84	0.81	0.75	0.86
7	E'	163	161	0.01	0.30	0.75	0.86
7	E'	163	161	0.01	0.30	0.75	0.86
8	E"	459	453	0.00	1.26	0.75	0.86
8	E"	459	453	0.00	1.26	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	1.610
F6	0.000	0.000	-1.610

	P1	F2	F3	F4	F5	F6
P1		1.5852	1.5852	1.5852	1.6102	1.6102
F2	1.5852		2.7456	2.7456	2.2595	2.2595
F3	1.5852	2.7456		2.7456	2.2595	2.2595
F4	1.5852	2.7456	2.7456		2.2595	2.2595
F5	1.6102	2.2595	2.2595	2.2595		3.2203
F6	1.6102	2.2595	2.2595	2.2595	3.2203

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/6-31G**

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	1.295
2	F	-0.238
3	F	-0.238
4	F	-0.238
5	F	-0.291
6	F	-0.291

<r²>	137.528
(<r²>)^1/2	11.727

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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