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	hartrees
Energy at 0K	-937.868535
Energy at 298.15K	-937.872293
HF Energy	-936.998909
Nuclear repulsion energy	492.491247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	861	861
2	A₁	655	655
3	A₁	584	584
4	A₁	470	470
5	A₁	356	356
6	A₁	224	224
7	A₂	353	353
8	A₂	239	239
9	B₁	948	948
10	B₁	409	409
11	B₁	345	345
12	B₂	1380	1380
13	B₂	748	748
14	B₂	393	393
15	B₂	155	155

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.194
F2	0.000	1.332	1.216
F3	0.000	-1.332	1.216
F4	1.686	0.000	0.055
F5	-1.686	0.000	0.055
F6	0.000	0.972	-1.433
F7	0.000	-0.972	-1.433

	P1	F2	F3	F4	F5	F6	F7
P1		1.6787	1.6787	1.6920	1.6920	1.8949	1.8949
F2	1.6787		2.6632	2.4423	2.4423	2.6729	3.5103
F3	1.6787	2.6632		2.4423	2.4423	3.5103	2.6729
F4	1.6920	2.4423	2.4423		3.3725	2.4497	2.4497
F5	1.6920	2.4423	2.4423	3.3725		2.4497	2.4497
F6	1.8949	2.6729	3.5103	2.4497	2.4497		1.9442
F7	1.8949	3.5103	2.6729	2.4497	2.4497	1.9442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.980	F2	P1	F4	92.866
F2	P1	F5	92.866	F2	P1	F6	96.644
F2	P1	F7	158.376	F3	P1	F4	92.866
F3	P1	F5	92.866	F3	P1	F6	158.376
F3	P1	F7	96.644	F4	P1	F5	170.578
F4	P1	F6	85.957	F4	P1	F7	85.957
F5	P1	F6	85.957	F5	P1	F7	85.957
F6	P1	F7	61.732

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

using model chemistry: ROMP2/6-31G

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	2.340
2	F	-0.451
3	F	-0.451
4	F	-0.457
5	F	-0.457
6	F	-0.261
7	F	-0.261

<r²>	193.503
(<r²>)^1/2	13.911

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

using model chemistry: ROMP2/6-31G

States and conformations

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