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	hartrees
Energy at 0K	-840.435984
Energy at 298.15K
HF Energy	-840.002889
Nuclear repulsion energy	403.069682

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'	780	780	0.00	10.08	0.00	0.00
2	A₁'	636	636	0.00	1.73	0.74	0.85
3	A₂"	964	964	430.94	0.00	0.75	0.86
4	A₂"	557	557	64.07	0.00	0.75	0.86
5	E'	1002	1002	296.34	0.55	0.75	0.86
5	E'	1002	1002	296.35	0.55	0.75	0.86
6	E'	515	515	48.47	0.92	0.75	0.86
6	E'	515	515	48.46	0.92	0.75	0.86
7	E'	167	167	0.13	0.34	0.75	0.86
7	E'	167	167	0.13	0.34	0.75	0.86
8	E"	492	492	0.00	1.67	0.75	0.86
8	E"	492	492	0.00	1.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.563	0.000
F3	1.353	-0.781	0.000
F4	-1.353	-0.781	0.000
F5	0.000	0.000	1.593
F6	0.000	0.000	-1.593

	P1	F2	F3	F4	F5	F6
P1		1.5628	1.5628	1.5628	1.5927	1.5927
F2	1.5628		2.7068	2.7068	2.2313	2.2313
F3	1.5628	2.7068		2.7068	2.2313	2.2313
F4	1.5628	2.7068	2.7068		2.2313	2.2313
F5	1.5927	2.2313	2.2313	2.2313		3.1853
F6	1.5927	2.2313	2.2313	2.2313	3.1853

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: B2PLYP=FULLultrafine/6-311G*

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

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