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	hartrees
Energy at 0K	-938.526206
Energy at 298.15K	-938.530948
HF Energy	-937.338175
Nuclear repulsion energy	525.940221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	960	897	319.79
2	A₁	781	729	8.61
3	A₁	683	638	0.39
4	A₁	545	509	101.74
5	A₁	429	401	0.24
6	A₁	287	268	0.00
7	A₂	456	426	0.00
8	A₂	314	293	0.00
9	B₁	1048	980	340.24
10	B₁	517	483	39.42
11	B₁	451	422	2.28
12	B₂	12950	12100	0.00
13	B₂	879	821	19.66
14	B₂	501	468	23.14
15	B₂	209	196	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.174
F2	0.000	1.241	1.137
F3	0.000	-1.241	1.137
F4	1.582	0.000	0.050
F5	-1.582	0.000	0.050
F6	0.000	0.926	-1.332
F7	0.000	-0.926	-1.332

	P1	F2	F3	F4	F5	F6	F7
P1		1.5707	1.5707	1.5873	1.5873	1.7682	1.7682
F2	1.5707		2.4826	2.2860	2.2860	2.4885	3.2852
F3	1.5707	2.4826		2.2860	2.2860	3.2852	2.4885
F4	1.5873	2.2860	2.2860		3.1650	2.2961	2.2961
F5	1.5873	2.2860	2.2860	3.1650		2.2961	2.2961
F6	1.7682	2.4885	3.2852	2.2961	2.2961		1.8527
F7	1.7682	3.2852	2.4885	2.2961	2.2961	1.8527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.425	F2	P1	F4	92.746
F2	P1	F5	92.746	F2	P1	F6	96.194
F2	P1	F7	159.382	F3	P1	F4	92.746
F3	P1	F5	92.746	F3	P1	F6	159.382
F3	P1	F7	96.194	F4	P1	F5	171.030
F4	P1	F6	86.181	F4	P1	F7	86.181
F5	P1	F6	86.181	F5	P1	F7	86.181
F6	P1	F7	63.188

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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