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	hartrees
Energy at 0K	-840.869818
Energy at 298.15K
HF Energy	-840.869818
Nuclear repulsion energy	406.820037

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'	814	779	0.00	9.25	0.00	0.00
2	A₁'	660	632	0.00	1.54	0.75	0.86
3	A₂"	976	934	404.42	0.00	0.75	0.86
4	A₂"	564	540	55.60	0.00	0.75	0.86
5	E'	1031	987	272.56	0.60	0.75	0.86
5	E'	1031	987	272.57	0.60	0.75	0.86
6	E'	520	498	39.92	0.57	0.75	0.86
6	E'	520	498	39.91	0.56	0.75	0.86
7	E'	166	159	0.09	0.24	0.75	0.86
7	E'	166	159	0.09	0.25	0.75	0.86
8	E"	499	478	0.00	1.04	0.75	0.86
8	E"	499	478	0.00	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.546	0.000
F3	1.339	-0.773	0.000
F4	-1.339	-0.773	0.000
F5	0.000	0.000	1.581
F6	0.000	0.000	-1.581

	P1	F2	F3	F4	F5	F6
P1		1.5462	1.5462	1.5462	1.5813	1.5813
F2	1.5462		2.6781	2.6781	2.2116	2.2116
F3	1.5462	2.6781		2.6781	2.2116	2.2116
F4	1.5462	2.6781	2.6781		2.2116	2.2116
F5	1.5813	2.2116	2.2116	2.2116		3.1625
F6	1.5813	2.2116	2.2116	2.2116	3.1625

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: B1B95/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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Number	Element	Mulliken
1	P	1.003
2	F	-0.174
3	F	-0.174
4	F	-0.174
5	F	-0.241
6	F	-0.241

<r²>	132.852
(<r²>)^1/2	11.526

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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