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	hartrees
Energy at 0K	-938.848207
Energy at 298.15K	-938.852955
HF Energy	-937.495876
Nuclear repulsion energy	526.837650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	930	884	354.15
2	A₁	764	726	21.69
3	A₁	657	624	0.35
4	A₁	536	509	120.85
5	A₁	410	390	11.29
6	A₁	299	284	0.10
7	A₂	470	447	0.00
8	A₂	317	301	0.00
9	B₁	1026	975	401.11
10	B₁	535	509	47.13
11	B₁	455	433	5.23
12	B₂	6584	6257	3623421.00
13	B₂	847	805	24.42
14	B₂	511	486	17.13
15	B₂	213	202	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.178
F2	0.000	1.229	1.141
F3	0.000	-1.229	1.141
F4	1.570	0.000	0.050
F5	-1.570	0.000	0.050
F6	0.000	0.936	-1.340
F7	0.000	-0.936	-1.340

	P1	F2	F3	F4	F5	F6	F7
P1		1.5613	1.5613	1.5753	1.5753	1.7826	1.7826
F2	1.5613		2.4575	2.2726	2.2726	2.4978	3.2921
F3	1.5613	2.4575		2.2726	2.2726	3.2921	2.4978
F4	1.5753	2.2726	2.2726		3.1402	2.2961	2.2961
F5	1.5753	2.2726	2.2726	3.1402		2.2961	2.2961
F6	1.7826	2.4978	3.2921	2.2961	2.2961		1.8714
F7	1.7826	3.2921	2.4978	2.2961	2.2961	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.817	F2	P1	F4	92.862
F2	P1	F5	92.862	F2	P1	F6	96.431
F2	P1	F7	159.752	F3	P1	F4	92.862
F3	P1	F5	92.862	F3	P1	F6	159.752
F3	P1	F7	96.431	F4	P1	F5	170.714
F4	P1	F6	86.049	F4	P1	F7	86.049
F5	P1	F6	86.049	F5	P1	F7	86.049
F6	P1	F7	63.321

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

using model chemistry: MP2/6-311G*

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 PF6 (Hexafluorophosphate neutral)

using model chemistry: MP2/6-311G*

States and conformations

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