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	hartrees
Energy at 0K	-938.556341
Energy at 298.15K	-938.561113
HF Energy	-937.359035
Nuclear repulsion energy	526.632211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	942	878	345.72
2	A₁	768	716	20.64
3	A₁	651	606	2.13
4	A₁	544	507	113.57
5	A₁	430	401	1.59
6	A₁	298	277	0.02
7	A₂	466	434	0.00
8	A₂	315	294	0.00
9	B₁	1025	955	401.89
10	B₁	529	492	43.40
11	B₁	454	423	3.03
12	B₂	5430	5059	1640967.00
13	B₂	862	803	10.83
14	B₂	509	474	33.81
15	B₂	220	205	0.19

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.170
F2	0.000	1.234	1.134
F3	0.000	-1.234	1.134
F4	1.581	0.000	0.052
F5	-1.581	0.000	0.052
F6	0.000	0.934	-1.328
F7	0.000	-0.934	-1.328

	P1	F2	F3	F4	F5	F6	F7
P1		1.5662	1.5662	1.5859	1.5859	1.7656	1.7656
F2	1.5662		2.4687	2.2793	2.2793	2.4804	3.2810
F3	1.5662	2.4687		2.2793	2.2793	3.2810	2.4804
F4	1.5859	2.2793	2.2793		3.1630	2.2976	2.2976
F5	1.5859	2.2793	2.2793	3.1630		2.2976	2.2976
F6	1.7656	2.4804	3.2810	2.2976	2.2976		1.8684
F7	1.7656	3.2810	2.4804	2.2976	2.2976	1.8684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.026	F2	P1	F4	92.624
F2	P1	F5	92.624	F2	P1	F6	96.042
F2	P1	F7	159.932	F3	P1	F4	92.624
F3	P1	F5	92.624	F3	P1	F6	159.932
F3	P1	F7	96.042	F4	P1	F5	171.469
F4	P1	F6	86.381	F4	P1	F7	86.381
F5	P1	F6	86.381	F5	P1	F7	86.381
F6	P1	F7	63.890

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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