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	hartrees
Energy at 0K	-938.553787
Energy at 298.15K	-938.558286
HF Energy	-937.337484
Nuclear repulsion energy	520.678455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	903	903
2	A₁	725	725
3	A₁	585	585
4	A₁	522	522
5	A₁	401	401
6	A₁	284	284
7	A₂	447	447
8	A₂	298	298
9	B₁	986	986
10	B₁	510	510
11	B₁	432	432
12	B₂	1485	1485
13	B₂	786	786
14	B₂	483	483
15	B₂	206	206

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.175
F2	0.000	1.246	1.146
F3	0.000	-1.246	1.146
F4	1.594	0.000	0.054
F5	-1.594	0.000	0.054
F6	0.000	0.957	-1.345
F7	0.000	-0.957	-1.345

	P1	F2	F3	F4	F5	F6	F7
P1		1.5792	1.5792	1.5988	1.5988	1.7962	1.7962
F2	1.5792		2.4913	2.2991	2.2991	2.5072	3.3249
F3	1.5792	2.4913		2.2991	2.2991	3.3249	2.5072
F4	1.5988	2.2991	2.2991		3.1883	2.3266	2.3266
F5	1.5988	2.2991	2.2991	3.1883		2.3266	2.3266
F6	1.7962	2.5072	3.3249	2.3266	2.3266		1.9143
F7	1.7962	3.3249	2.5072	2.3266	2.3266	1.9143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.150	F2	P1	F4	92.677
F2	P1	F5	92.677	F2	P1	F6	95.726
F2	P1	F7	160.124	F3	P1	F4	92.677
F3	P1	F5	92.677	F3	P1	F6	160.124
F3	P1	F7	95.726	F4	P1	F5	171.284
F4	P1	F6	86.313	F4	P1	F7	86.313
F5	P1	F6	86.313	F5	P1	F7	86.313
F6	P1	F7	64.399

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

using model chemistry: ROMP2/6-31+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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Number	Element	Mulliken
1	P	3.692
2	F	-0.750
3	F	-0.750
4	F	-0.723
5	F	-0.723
6	F	-0.373
7	F	-0.373

<r²>	174.000
(<r²>)^1/2	13.191

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

using model chemistry: ROMP2/6-31+G**

States and conformations

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