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	hartrees
Energy at 0K	-938.992012
Energy at 298.15K
HF Energy	-937.582775
Nuclear repulsion energy	524.204160

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.169
F2	0.000	1.236	1.142
F3	0.000	-1.236	1.142
F4	1.584	0.000	0.056
F5	-1.584	0.000	0.056
F6	0.000	0.944	-1.338
F7	0.000	-0.944	-1.338

	P1	F2	F3	F4	F5	F6	F7
P1		1.5732	1.5732	1.5884	1.5884	1.7782	1.7782
F2	1.5732		2.4725	2.2841	2.2841	2.4969	3.3021
F3	1.5732	2.4725		2.2841	2.2841	3.3021	2.4969
F4	1.5884	2.2841	2.2841		3.1687	2.3120	2.3120
F5	1.5884	2.2841	2.2841	3.1687		2.3120	2.3120
F6	1.7782	2.4969	3.3021	2.3120	2.3120		1.8885
F7	1.7782	3.3021	2.4969	2.3120	2.3120	1.8885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	103.593	F2	P1	F4	92.516
F2	P1	F5	92.516	F2	P1	F6	96.129
F2	P1	F7	160.277	F3	P1	F4	92.516
F3	P1	F5	92.516	F3	P1	F6	160.277
F3	P1	F7	96.129	F4	P1	F5	171.860
F4	P1	F6	86.552	F4	P1	F7	86.552
F5	P1	F6	86.552	F5	P1	F7	86.552
F6	P1	F7	64.148

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

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

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