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	hartrees
Energy at 0K	-938.495145
Energy at 298.15K	-938.499831
HF Energy	-937.337398
Nuclear repulsion energy	524.934169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	953	898	321.57
2	A₁	778	733	8.52
3	A₁	680	641	0.21
4	A₁	541	510	101.73
5	A₁	426	402	0.26
6	A₁	285	268	0.00
7	A₂	452	426	0.00
8	A₂	312	294	0.00
9	B₁	1043	984	339.65
10	B₁	513	484	39.28
11	B₁	448	422	2.17
12	B₂	12841	12109	0.00
13	B₂	872	822	17.99
14	B₂	497	469	23.07
15	B₂	206	194	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.176
F2	0.000	1.244	1.140
F3	0.000	-1.244	1.140
F4	1.585	0.000	0.050
F5	-1.585	0.000	0.050
F6	0.000	0.926	-1.336
F7	0.000	-0.926	-1.336

	P1	F2	F3	F4	F5	F6	F7
P1		1.5736	1.5736	1.5897	1.5897	1.7730	1.7730
F2	1.5736		2.4877	2.2902	2.2902	2.4959	3.2922
F3	1.5736	2.4877		2.2902	2.2902	3.2922	2.4959
F4	1.5897	2.2902	2.2902		3.1694	2.3003	2.3003
F5	1.5897	2.2902	2.2902	3.1694		2.3003	2.3003
F6	1.7730	2.4959	3.2922	2.3003	2.3003		1.8528
F7	1.7730	3.2922	2.4959	2.3003	2.3003	1.8528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.448	F2	P1	F4	92.771
F2	P1	F5	92.771	F2	P1	F6	96.275
F2	P1	F7	159.277	F3	P1	F4	92.771
F3	P1	F5	92.771	F3	P1	F6	159.277
F3	P1	F7	96.275	F4	P1	F5	170.947
F4	P1	F6	86.142	F4	P1	F7	86.142
F5	P1	F6	86.142	F5	P1	F7	86.142
F6	P1	F7	63.002

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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