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	hartrees
Energy at 0K	-938.556418
Energy at 298.15K
HF Energy	-937.356334
Nuclear repulsion energy	522.550922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	913	863	310.44
2	A₁	736	696	21.67
3	A₁	597	565	8.26
4	A₁	526	498	106.33
5	A₁	408	386	3.49
6	A₁	287	272	0.04
7	A₂	452	427	0.00
8	A₂	300	284	0.00
9	B₁	1003	948	393.72
10	B₁	516	487	40.89
11	B₁	437	413	3.16
12	B₂	907	857	38.15
13	B₂	492	465	16.78
14	B₂	210	198	0.01
15	B₂	567i	536i	221.84

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.175
F2	0.000	1.243	1.141
F3	0.000	-1.243	1.141
F4	1.589	0.000	0.055
F5	-1.589	0.000	0.055
F6	0.000	0.949	-1.342
F7	0.000	-0.949	-1.342

	P1	F2	F3	F4	F5	F6	F7
P1		1.5743	1.5743	1.5935	1.5935	1.7892	1.7892
F2	1.5743		2.4857	2.2912	2.2912	2.5007	3.3119
F3	1.5743	2.4857		2.2912	2.2912	3.3119	2.5007
F4	1.5935	2.2912	2.2912		3.1779	2.3186	2.3186
F5	1.5935	2.2912	2.2912	3.1779		2.3186	2.3186
F6	1.7892	2.5007	3.3119	2.3186	2.3186		1.8971
F7	1.7892	3.3119	2.5007	2.3186	2.3186	1.8971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.273	F2	P1	F4	92.650
F2	P1	F5	92.650	F2	P1	F6	95.846
F2	P1	F7	159.880	F3	P1	F4	92.650
F3	P1	F5	92.650	F3	P1	F6	159.880
F3	P1	F7	95.846	F4	P1	F5	171.359
F4	P1	F6	86.338	F4	P1	F7	86.338
F5	P1	F6	86.338	F5	P1	F7	86.338
F6	P1	F7	64.034

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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