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	hartrees
Energy at 0K	-939.420537
Energy at 298.15K	-939.425405
HF Energy	-937.631092
Nuclear repulsion energy	531.491524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	938	891	318.03
2	A₁	778	739	21.46
3	A₁	653	620	0.14
4	A₁	553	525	99.18
5	A₁	428	406	2.80
6	A₁	301	286	0.00
7	A₂	477	453	0.00
8	A₂	327	311	0.00
9	B₁	1016	964	364.38
10	B₁	544	517	39.20
11	B₁	467	444	2.49
12	B₂	6922	6572	4173129.00
13	B₂	855	812	21.72
14	B₂	519	492	15.06
15	B₂	224	213	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.165
F2	0.000	1.221	1.125
F3	0.000	-1.221	1.125
F4	1.568	0.000	0.053
F5	-1.568	0.000	0.053
F6	0.000	0.928	-1.315
F7	0.000	-0.928	-1.315

	P1	F2	F3	F4	F5	F6	F7
P1		1.5524	1.5524	1.5718	1.5718	1.7474	1.7474
F2	1.5524		2.4411	2.2576	2.2576	2.4576	3.2510
F3	1.5524	2.4411		2.2576	2.2576	3.2510	2.4576
F4	1.5718	2.2576	2.2576		3.1355	2.2782	2.2782
F5	1.5718	2.2576	2.2576	3.1355		2.2782	2.2782
F6	1.7474	2.4576	3.2510	2.2782	2.2782		1.8554
F7	1.7474	3.2510	2.4576	2.2782	2.2782	1.8554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.670	F2	P1	F4	92.538
F2	P1	F5	92.538	F2	P1	F6	96.098
F2	P1	F7	160.232	F3	P1	F4	92.538
F3	P1	F5	92.538	F3	P1	F6	160.232
F3	P1	F7	96.098	F4	P1	F5	171.780
F4	P1	F6	86.518	F4	P1	F7	86.518
F5	P1	F6	86.518	F5	P1	F7	86.518
F6	P1	F7	64.133

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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