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	hartrees
Energy at 0K	-840.607892
Energy at 298.15K
HF Energy	-840.607892
Nuclear repulsion energy	402.656812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	776	747	0.00	9.93	0.00	0.00
2	A₁'	634	611	0.00	1.70	0.75	0.85
3	A₂"	957	922	427.95	0.00	0.75	0.86
4	A₂"	551	531	60.94	0.00	0.75	0.86
5	E'	996	959	294.94	0.54	0.75	0.86
5	E'	996	959	294.94	0.54	0.75	0.86
6	E'	509	490	45.34	0.89	0.75	0.86
6	E'	509	490	45.34	0.89	0.75	0.86
7	E'	163	157	0.09	0.34	0.75	0.86
7	E'	163	157	0.09	0.34	0.75	0.86
8	E"	487	469	0.00	1.66	0.75	0.86
8	E"	487	469	0.00	1.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.564	0.000
F3	1.355	-0.782	0.000
F4	-1.355	-0.782	0.000
F5	0.000	0.000	1.594
F6	0.000	0.000	-1.594

	P1	F2	F3	F4	F5	F6
P1		1.5645	1.5645	1.5645	1.5942	1.5942
F2	1.5645		2.7097	2.7097	2.2336	2.2336
F3	1.5645	2.7097		2.7097	2.2336	2.2336
F4	1.5645	2.7097	2.7097		2.2336	2.2336
F5	1.5942	2.2336	2.2336	2.2336		3.1884
F6	1.5942	2.2336	2.2336	2.2336	3.1884

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: B3PW91/6-311G**

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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Number	Element	Mulliken
1	P	1.567
2	F	-0.287
3	F	-0.287
4	F	-0.287
5	F	-0.353
6	F	-0.353

<r²>	135.750
(<r²>)^1/2	11.651

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

using model chemistry: B3PW91/6-311G**

States and conformations

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