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	hartrees
Energy at 0K	-933.438818
Energy at 298.15K	-933.443833
HF Energy	-932.627823
Nuclear repulsion energy	529.775002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1042	992	320.66
2	A₁	836	796	6.49
3	A₁	738	702	0.64
4	A₁	576	548	118.65
5	A₁	454	432	0.29
6	A₁	310	294	0.00
7	A₂	482	459	0.00
8	A₂	332	315	0.00
9	B₁	1138	1082	343.64
10	B₁	544	518	55.18
11	B₁	468	445	5.26
12	B₂	6784	6453	3066136.00
13	B₂	950	904	36.61
14	B₂	526	501	37.13
15	B₂	226	215	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.169
F2	0.000	1.229	1.133
F3	0.000	-1.229	1.133
F4	1.574	0.000	0.046
F5	-1.574	0.000	0.046
F6	0.000	0.919	-1.319
F7	0.000	-0.919	-1.319

	P1	F2	F3	F4	F5	F6	F7
P1		1.5618	1.5618	1.5785	1.5785	1.7490	1.7490
F2	1.5618		2.4577	2.2733	2.2733	2.4719	3.2597
F3	1.5618	2.4577		2.2733	2.2733	3.2597	2.4719
F4	1.5785	2.2733	2.2733		3.1474	2.2770	2.2770
F5	1.5785	2.2733	2.2733	3.1474		2.2770	2.2770
F6	1.7490	2.4719	3.2597	2.2770	2.2770		1.8372
F7	1.7490	3.2597	2.4719	2.2770	2.2770	1.8372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.775	F2	P1	F4	92.756
F2	P1	F5	92.756	F2	P1	F6	96.431
F2	P1	F7	159.794	F3	P1	F4	92.756
F3	P1	F5	92.756	F3	P1	F6	159.794
F3	P1	F7	96.431	F4	P1	F5	171.063
F4	P1	F6	86.199	F4	P1	F7	86.199
F5	P1	F6	86.199	F5	P1	F7	86.199
F6	P1	F7	63.363

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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