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	hartrees
Energy at 0K	-839.887153
Energy at 298.15K
HF Energy	-838.317140
Nuclear repulsion energy	408.477648

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.539	0.000
F3	1.333	-0.769	0.000
F4	-1.333	-0.769	0.000
F5	0.000	0.000	1.577
F6	0.000	0.000	-1.577

	P1	F2	F3	F4	F5	F6
P1		1.5387	1.5387	1.5387	1.5768	1.5768
F2	1.5387		2.6650	2.6650	2.2031	2.2031
F3	1.5387	2.6650		2.6650	2.2031	2.2031
F4	1.5387	2.6650	2.6650		2.2031	2.2031
F5	1.5768	2.2031	2.2031	2.2031		3.1536
F6	1.5768	2.2031	2.2031	2.2031	3.1536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	120.000	F2	P1	F4	120.000
F2	P1	F5	90.000	F2	P1	F6	90.000
F3	P1	F4	120.000	F3	P1	F5	90.000
F3	P1	F6	90.000	F4	P1	F5	90.000
F4	P1	F6	90.000	F5	P1	F6	180.000

All results from a given calculation for PF₅ (Phosphorus pentafluoride)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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 PF5 (Phosphorus pentafluoride)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for PF₅ (Phosphorus pentafluoride)