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	hartrees
Energy at 0K	-840.002191
Energy at 298.15K
HF Energy	-838.348743
Nuclear repulsion energy	409.963145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	848	848	0.00
2	A₁'	675	675	0.00
3	A₂"	993	993	434.37
4	A₂"	590	590	63.74
5	E'	1067	1067	290.54
5	E'	1067	1067	290.54
6	E'	544	544	46.14
6	E'	544	544	46.14
7	E'	177	177	0.10
7	E'	177	177	0.10
8	E"	525	525	0.00
8	E"	525	525	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.532	0.000
F3	1.327	-0.766	0.000
F4	-1.327	-0.766	0.000
F5	0.000	0.000	1.572
F6	0.000	0.000	-1.572

	P1	F2	F3	F4	F5	F6
P1		1.5324	1.5324	1.5324	1.5722	1.5722
F2	1.5324		2.6542	2.6542	2.1954	2.1954
F3	1.5324	2.6542		2.6542	2.1954	2.1954
F4	1.5324	2.6542	2.6542		2.1954	2.1954
F5	1.5722	2.1954	2.1954	2.1954		3.1443
F6	1.5722	2.1954	2.1954	2.1954	3.1443

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: CCSD=FULL/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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All results from a given calculation for PF5 (Phosphorus pentafluoride)

using model chemistry: CCSD=FULL/Def2TZVPP

States and conformations

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