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	hartrees
Energy at 0K	-840.824005
Energy at 298.15K
HF Energy	-840.824005
Nuclear repulsion energy	405.980206

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'	807	774	0.00	9.35	0.00	0.00
2	A₁'	653	627	0.00	1.56	0.75	0.86
3	A₂"	966	926	401.86	0.00	0.75	0.86
4	A₂"	564	541	55.22	0.00	0.75	0.86
5	E'	1022	980	271.82	0.61	0.75	0.86
5	E'	1022	980	271.80	0.61	0.75	0.86
6	E'	521	500	39.49	0.57	0.75	0.86
6	E'	521	500	39.49	0.57	0.75	0.86
7	E'	166	160	0.07	0.24	0.75	0.86
7	E'	166	159	0.07	0.24	0.75	0.86
8	E"	500	480	0.00	1.04	0.75	0.86
8	E"	500	480	0.00	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.549	0.000
F3	1.342	-0.775	0.000
F4	-1.342	-0.775	0.000
F5	0.000	0.000	1.585
F6	0.000	0.000	-1.585

	P1	F2	F3	F4	F5	F6
P1		1.5492	1.5492	1.5492	1.5849	1.5849
F2	1.5492		2.6833	2.6833	2.2163	2.2163
F3	1.5492	2.6833		2.6833	2.2163	2.2163
F4	1.5492	2.6833	2.6833		2.2163	2.2163
F5	1.5849	2.2163	2.2163	2.2163		3.1698
F6	1.5849	2.2163	2.2163	2.2163	3.1698

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: mPW1PW91/cc-pVTZ

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	1.053
2	F	-0.182
3	F	-0.182
4	F	-0.182
5	F	-0.253
6	F	-0.253

<r²>	133.343
(<r²>)^1/2	11.547

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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