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	hartrees
Energy at 0K	-937.215635
Energy at 298.15K
HF Energy	-937.215635
Nuclear repulsion energy	402.818534

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.478
F2	0.000	1.259	1.516
F3	0.000	-1.259	1.516
F4	1.713	0.000	0.251
F5	-1.713	0.000	0.251
F6	0.000	2.352	-2.165
F7	0.000	-2.352	-2.165

	P1	F2	F3	F4	F5	F6	F7
P1		1.6323	1.6323	1.7280	1.7280	3.5379	3.5379
F2	1.6323		2.5189	2.4742	2.4742	3.8398	5.1570
F3	1.6323	2.5189		2.4742	2.4742	5.1570	3.8398
F4	1.7280	2.4742	2.4742		3.4261	3.7820	3.7820
F5	1.7280	2.4742	2.4742	3.4261		3.7820	3.7820
F6	3.5379	3.8398	5.1570	3.7820	3.7820		4.7048
F7	3.5379	5.1570	3.8398	3.7820	3.7820	4.7048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	100.990	F2	P1	F4	94.790
F2	P1	F5	94.790	F2	P1	F6	87.830
F2	P1	F7	171.181	F3	P1	F4	94.790
F3	P1	F5	94.790	F3	P1	F6	171.181
F3	P1	F7	87.830	F4	P1	F5	164.914
F4	P1	F6	84.373	F4	P1	F7	84.373
F5	P1	F6	84.373	F5	P1	F7	84.373
F6	P1	F7	83.351

Number	Element	Mulliken
1	P	2.019
2	F	-0.524
3	F	-0.524
4	F	-0.490
5	F	-0.490
6	F	0.004
7	F	0.004

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

using model chemistry: HF/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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<r²>	340.263
(<r²>)^1/2	18.446

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

using model chemistry: HF/SDD

States and conformations

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