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	hartrees
Energy at 0K	-938.645702
Energy at 298.15K
HF Energy	-937.350558
Nuclear repulsion energy	517.612282

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.169
F2	0.000	1.253	1.158
F3	0.000	-1.253	1.158
F4	1.609	0.000	0.054
F5	-1.609	0.000	0.054
F6	0.000	0.948	-1.353
F7	0.000	-0.948	-1.353

	P1	F2	F3	F4	F5	F6	F7
P1		1.5962	1.5962	1.6134	1.6134	1.7929	1.7929
F2	1.5962		2.5054	2.3194	2.3194	2.5296	3.3389
F3	1.5962	2.5054		2.3194	2.3194	3.3389	2.5296
F4	1.6134	2.3194	2.3194		3.2186	2.3379	2.3379
F5	1.6134	2.3194	2.3194	3.2186		2.3379	2.3379
F6	1.7929	2.5296	3.3389	2.3379	2.3379		1.8956
F7	1.7929	3.3389	2.5296	2.3379	2.3379	1.8956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.408	F2	P1	F4	92.544
F2	P1	F5	92.544	F2	P1	F6	96.382
F2	P1	F7	160.209	F3	P1	F4	92.544
F3	P1	F5	92.544	F3	P1	F6	160.209
F3	P1	F7	96.382	F4	P1	F5	171.786
F4	P1	F6	86.515	F4	P1	F7	86.515
F5	P1	F6	86.515	F5	P1	F7	86.515
F6	P1	F7	63.827

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

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

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