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	hartrees
Energy at 0K	-938.902530
Energy at 298.15K	-938.907377
HF Energy	-937.397827
Nuclear repulsion energy	532.446748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	947	895	276.47
2	A₁	781	738	14.58
3	A₁	670	633	0.00
4	A₁	552	521	87.20
5	A₁	430	407	2.87
6	A₁	303	286	0.00
7	A₂	472	446	0.00
8	A₂	323	305	0.00
9	B₁	1051	993	303.09
10	B₁	539	510	31.17
11	B₁	459	434	2.03
12	B₂	9547	9017	0.00
13	B₂	862	814	23.53
14	B₂	517	488	12.18
15	B₂	223	211	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.165
F2	0.000	1.218	1.125
F3	0.000	-1.218	1.125
F4	1.562	0.000	0.053
F5	-1.562	0.000	0.053
F6	0.000	0.926	-1.315
F7	0.000	-0.926	-1.315

	P1	F2	F3	F4	F5	F6	F7
P1		1.5513	1.5513	1.5658	1.5658	1.7459	1.7459
F2	1.5513		2.4367	2.2524	2.2524	2.4579	3.2487
F3	1.5513	2.4367		2.2524	2.2524	3.2487	2.4579
F4	1.5658	2.2524	2.2524		3.1236	2.2734	2.2734
F5	1.5658	2.2524	2.2524	3.1236		2.2734	2.2734
F6	1.7459	2.4579	3.2487	2.2734	2.2734		1.8520
F7	1.7459	3.2487	2.4579	2.2734	2.2734	1.8520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.511	F2	P1	F4	92.537
F2	P1	F5	92.537	F2	P1	F6	96.213
F2	P1	F7	160.276	F3	P1	F4	92.537
F3	P1	F5	92.537	F3	P1	F6	160.276
F3	P1	F7	96.213	F4	P1	F5	171.798
F4	P1	F6	86.524	F4	P1	F7	86.524
F5	P1	F6	86.524	F5	P1	F7	86.524
F6	P1	F7	64.063

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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