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	hartrees
Energy at 0K	-839.504104
Energy at 298.15K
HF Energy	-838.324939
Nuclear repulsion energy	413.417515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	883	883	0.00
2	A₁'	696	696	0.00
3	A₂"	1027	1027	450.68
4	A₂"	610	610	68.24
5	E'	1102	1102	308.84
5	E'	1102	1102	308.84
6	E'	565	565	50.31
6	E'	565	565	50.31
7	E'	185	185	0.16
7	E'	185	185	0.16
8	E"	543	543	0.00
8	E"	543	543	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.519	0.000
F3	1.316	-0.760	0.000
F4	-1.316	-0.760	0.000
F5	0.000	0.000	1.559
F6	0.000	0.000	-1.559

	P1	F2	F3	F4	F5	F6
P1		1.5194	1.5194	1.5194	1.5593	1.5593
F2	1.5194		2.6316	2.6316	2.1772	2.1772
F3	1.5194	2.6316		2.6316	2.1772	2.1772
F4	1.5194	2.6316	2.6316		2.1772	2.1772
F5	1.5593	2.1772	2.1772	2.1772		3.1187
F6	1.5593	2.1772	2.1772	2.1772	3.1187

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: CISD/cc-pV(T+d)Z

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: CISD/cc-pV(T+d)Z

States and conformations

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