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	hartrees
Energy at 0K	-938.839154
Energy at 298.15K	-938.843280
HF Energy	-937.418649
Nuclear repulsion energy	517.874809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	901	867
2	A₁	716	689
3	A₁	598	576
4	A₁	513	494
5	A₁	398	383
6	A₁	266	256
7	A₂	427	411
8	A₂	293	282
9	B₁	992	955
10	B₁	492	474
11	B₁	419	404
12	B₂	936	901
13	B₂	461	444
14	B₂	404	389
15	B₂	193	185

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.169
F2	0.000	1.257	1.150
F3	0.000	-1.257	1.150
F4	1.608	0.000	0.057
F5	-1.608	0.000	0.057
F6	0.000	0.956	-1.348
F7	0.000	-0.956	-1.348

	P1	F2	F3	F4	F5	F6	F7
P1		1.5943	1.5943	1.6114	1.6114	1.7934	1.7934
F2	1.5943		2.5146	2.3148	2.3148	2.5159	3.3371
F3	1.5943	2.5146		2.3148	2.3148	3.3371	2.5159
F4	1.6114	2.3148	2.3148		3.2150	2.3393	2.3393
F5	1.6114	2.3148	2.3148	3.2150		2.3393	2.3393
F6	1.7934	2.5159	3.3371	2.3393	2.3393		1.9115
F7	1.7934	3.3371	2.5159	2.3393	2.3393	1.9115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.115	F2	P1	F4	92.454
F2	P1	F5	92.454	F2	P1	F6	95.740
F2	P1	F7	160.145	F3	P1	F4	92.454
F3	P1	F5	92.454	F3	P1	F6	160.145
F3	P1	F7	95.740	F4	P1	F5	172.014
F4	P1	F6	86.622	F4	P1	F7	86.622
F5	P1	F6	86.622	F5	P1	F7	86.622
F6	P1	F7	64.405

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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: CCSD(T)/aug-cc-pVDZ

States and conformations

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