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	hartrees
Energy at 0K	-937.822831
Energy at 298.15K
HF Energy	-937.020682
Nuclear repulsion energy	499.490229

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.189
F2	0.000	1.321	1.208
F3	0.000	-1.321	1.208
F4	1.669	0.000	0.044
F5	-1.669	0.000	0.044
F6	0.000	0.931	-1.410
F7	0.000	-0.931	-1.410

	P1	F2	F3	F4	F5	F6	F7
P1		1.6681	1.6681	1.6753	1.6753	1.8509	1.8509
F2	1.6681		2.6422	2.4258	2.4258	2.6469	3.4535
F3	1.6681	2.6422		2.4258	2.4258	3.4535	2.6469
F4	1.6753	2.4258	2.4258		3.3381	2.4017	2.4017
F5	1.6753	2.4258	2.4258	3.3381		2.4017	2.4017
F6	1.8509	2.6469	3.4535	2.4017	2.4017		1.8623
F7	1.8509	3.4535	2.6469	2.4017	2.4017	1.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	104.746	F2	P1	F4	93.032
F2	P1	F5	93.032	F2	P1	F6	97.424
F2	P1	F7	157.831	F3	P1	F4	93.032
F3	P1	F5	93.032	F3	P1	F6	157.831
F3	P1	F7	97.424	F4	P1	F5	170.061
F4	P1	F6	85.707	F4	P1	F7	85.707
F5	P1	F6	85.707	F5	P1	F7	85.707
F6	P1	F7	60.407

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

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

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/6-31G

States and conformations

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