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	hartrees
Energy at 0K	-924.946497
Energy at 298.15K
HF Energy	-924.946497
Nuclear repulsion energy	404.483944

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.290
F2	0.000	1.210	1.362
F3	0.000	-1.210	1.362
F4	1.788	0.000	0.243
F5	-1.788	0.000	0.243
F6	0.000	2.666	-1.847
F7	0.000	-2.666	-1.847

	P1	F2	F3	F4	F5	F6	F7
P1		1.6166	1.6166	1.7883	1.7883	3.4164	3.4164
F2	1.6166		2.4202	2.4313	2.4313	3.5236	5.0317
F3	1.6166	2.4202		2.4313	2.4313	5.0317	3.5236
F4	1.7883	2.4313	2.4313		3.5754	3.8303	3.8303
F5	1.7883	2.4313	2.4313	3.5754		3.8303	3.8303
F6	3.4164	3.5236	5.0317	3.8303	3.8303		5.3311
F7	3.4164	5.0317	3.5236	3.8303	3.8303	5.3311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	96.928	F2	P1	F4	90.990
F2	P1	F5	90.990	F2	P1	F6	80.256
F2	P1	F7	177.184	F3	P1	F4	90.990
F3	P1	F5	90.990	F3	P1	F6	177.184
F3	P1	F7	80.256	F4	P1	F5	177.014
F4	P1	F6	89.066	F4	P1	F7	89.066
F5	P1	F6	89.066	F5	P1	F7	89.066
F6	P1	F7	102.560

Number	Element	Mulliken
1	P	0.922
2	F	-0.287
3	F	-0.287
4	F	-0.174
5	F	-0.174
6	F	0.000
7	F	0.000

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

using model chemistry: HF/STO-3G

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>	331.786
(<r²>)^1/2	18.215

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

using model chemistry: HF/STO-3G

States and conformations

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