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	hartrees
Energy at 0K	-840.632636
Energy at 298.15K
HF Energy	-840.632636
Nuclear repulsion energy	398.448341

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'	786	755	0.00	9.08	0.00	0.01
2	A₁'	673	647	0.00	1.74	0.75	0.86
3	A₂"	1006	967	382.84	0.00	0.75	0.86
4	A₂"	529	508	55.61	0.00	0.75	0.86
5	E'	1024	984	263.76	0.62	0.75	0.86
5	E'	1024	984	263.72	0.62	0.75	0.86
6	E'	492	473	42.90	0.84	0.75	0.86
6	E'	492	473	42.91	0.84	0.75	0.86
7	E'	148	143	0.59	0.37	0.75	0.86
7	E'	148	143	0.59	0.37	0.75	0.86
8	E"	464	446	0.00	1.62	0.75	0.86
8	E"	464	446	0.00	1.62	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	1.370	-0.791	0.000
F4	-1.370	-0.791	0.000
F5	0.000	0.000	1.610
F6	0.000	0.000	-1.610

	P1	F2	F3	F4	F5	F6
P1		1.5814	1.5814	1.5814	1.6104	1.6104
F2	1.5814		2.7391	2.7391	2.2570	2.2570
F3	1.5814	2.7391		2.7391	2.2570	2.2570
F4	1.5814	2.7391	2.7391		2.2570	2.2570
F5	1.6104	2.2570	2.2570	2.2570		3.2207
F6	1.6104	2.2570	2.2570	2.2570	3.2207

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-pVDZ

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	1.177
2	F	-0.219
3	F	-0.219
4	F	-0.219
5	F	-0.260
6	F	-0.260

<r²>	137.590
(<r²>)^1/2	11.730

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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