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	hartrees
Energy at 0K	-840.421895
Energy at 298.15K
HF Energy	-840.421895
Nuclear repulsion energy	398.702956

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'	747	732	0.00	11.69	0.00	0.01
2	A₁'	642	629	0.00	1.83	0.75	0.86
3	A₂"	959	940	347.39	0.00	0.75	0.86
4	A₂"	529	519	40.95	0.00	0.75	0.86
5	E'	978	958	238.05	0.61	0.75	0.86
5	E'	978	958	238.04	0.61	0.75	0.86
6	E'	488	479	32.00	0.80	0.75	0.86
6	E'	488	479	32.00	0.79	0.75	0.86
7	E'	165	162	0.01	0.29	0.75	0.86
7	E'	165	162	0.01	0.29	0.75	0.86
8	E"	465	456	0.00	1.22	0.75	0.86
8	E"	465	456	0.00	1.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.581	0.000
F3	1.369	-0.791	0.000
F4	-1.369	-0.791	0.000
F5	0.000	0.000	1.608
F6	0.000	0.000	-1.608

	P1	F2	F3	F4	F5	F6
P1		1.5813	1.5813	1.5813	1.6079	1.6079
F2	1.5813		2.7390	2.7390	2.2552	2.2552
F3	1.5813	2.7390		2.7390	2.2552	2.2552
F4	1.5813	2.7390	2.7390		2.2552	2.2552
F5	1.6079	2.2552	2.2552	2.2552		3.2158
F6	1.6079	2.2552	2.2552	2.2552	3.2158

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: B97D3/6-31G*

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	1.391
2	F	-0.258
3	F	-0.258
4	F	-0.258
5	F	-0.309
6	F	-0.309

<r²>	137.025
(<r²>)^1/2	11.706

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

using model chemistry: B97D3/6-31G*

States and conformations

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