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	hartrees
Energy at 0K	-937.975672
Energy at 298.15K	-937.979726
HF Energy	-937.181121
Nuclear repulsion energy	496.610234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	967	933	548.46
2	A₁	763	737	80.42
3	A₁	637	615	0.29
4	A₁	462	446	136.86
5	A₁	381	367	2.50
6	A₁	233	225	0.04
7	A₂	375	362	0.00
8	A₂	269	260	0.00
9	B₁	947	914	260.17
10	B₁	423	408	66.50
11	B₁	384	371	0.30
12	B₂	551122	531998	0.00
13	B₂	754	728	3.19
14	B₂	423	408	46.66
15	B₂	162	156	0.43

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.198
F2	0.000	1.330	1.222
F3	0.000	-1.330	1.222
F4	1.673	0.000	0.043
F5	-1.673	0.000	0.043
F6	0.000	0.923	-1.429
F7	0.000	-0.923	-1.429

	P1	F2	F3	F4	F5	F6	F7
P1		1.6788	1.6788	1.6799	1.6799	1.8706	1.8706
F2	1.6788		2.6598	2.4408	2.4408	2.6825	3.4794
F3	1.6788	2.6598		2.4408	2.4408	3.4794	2.6825
F4	1.6799	2.4408	2.4408		3.3455	2.4120	2.4120
F5	1.6799	2.4408	2.4408	3.3455		2.4120	2.4120
F6	1.8706	2.6825	3.4794	2.4120	2.4120		1.8463
F7	1.8706	3.4794	2.6825	2.4120	2.4120	1.8463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.780	F2	P1	F4	93.222
F2	P1	F5	93.222	F2	P1	F6	98.039
F2	P1	F7	157.181	F3	P1	F4	93.222
F3	P1	F5	93.222	F3	P1	F6	157.181
F3	P1	F7	98.039	F4	P1	F5	169.433
F4	P1	F6	85.406	F4	P1	F7	85.406
F5	P1	F6	85.406	F5	P1	F7	85.406
F6	P1	F7	59.142

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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