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	hartrees
Energy at 0K	-933.163187
Energy at 298.15K
HF Energy	-932.365310
Nuclear repulsion energy	515.099755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1645	1595
2	A₁	986	956
3	A₁	768	745
4	A₁	612	594
5	A₁	459	445
6	A₁	250	242
7	A₂	438	425
8	A₂	282	273
9	B₁	1101	1068
10	B₁	464	450
11	B₁	394	382
12	B₂	3730	3617
13	B₂	2431	2357
14	B₂	785	761
15	B₂	410i	398i

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.183
F2	0.000	1.276	1.169
F3	0.000	-1.276	1.169
F4	1.618	0.000	0.043
F5	-1.618	0.000	0.043
F6	0.000	0.917	-1.364
F7	0.000	-0.917	-1.364

	P1	F2	F3	F4	F5	F6	F7
P1		1.6122	1.6122	1.6241	1.6241	1.7982	1.7982
F2	1.6122		2.5511	2.3477	2.3477	2.5579	3.3500
F3	1.6122	2.5511		2.3477	2.3477	3.3500	2.5579
F4	1.6241	2.3477	2.3477		3.2363	2.3325	2.3325
F5	1.6241	2.3477	2.3477	3.2363		2.3325	2.3325
F6	1.7982	2.5579	3.3500	2.3325	2.3325		1.8344
F7	1.7982	3.3500	2.5579	2.3325	2.3325	1.8344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.595	F2	P1	F4	93.007
F2	P1	F5	93.007	F2	P1	F6	97.034
F2	P1	F7	158.370	F3	P1	F4	93.007
F3	P1	F5	93.007	F3	P1	F6	158.370
F3	P1	F7	97.034	F4	P1	F5	170.157
F4	P1	F6	85.768	F4	P1	F7	85.768
F5	P1	F6	85.768	F5	P1	F7	85.768
F6	P1	F7	61.336

All results from a given calculation for PF₆ (Hexafluorophosphate neutral)

using model chemistry: MP4/3-21G

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 PF6 (Hexafluorophosphate neutral)

using model chemistry: MP4/3-21G

States and conformations

All results from a given calculation for PF₆ (Hexafluorophosphate neutral)