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	hartrees
Energy at 0K	-840.643538
Energy at 298.15K
HF Energy	-840.643538
Nuclear repulsion energy	390.235772

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'	710	712	0.00	12.19	0.00	0.01
2	A₁'	620	621	0.00	2.27	0.74	0.85
3	A₂"	927	928	327.67	0.00	0.75	0.86
4	A₂"	495	496	43.32	0.00	0.75	0.86
5	E'	936	937	228.73	0.81	0.75	0.86
5	E'	936	937	228.74	0.81	0.75	0.86
6	E'	459	460	32.36	1.04	0.75	0.86
6	E'	459	460	32.36	1.04	0.75	0.86
7	E'	135	135	0.34	0.48	0.75	0.86
7	E'	135	135	0.34	0.48	0.75	0.86
8	E"	434	434	0.00	1.92	0.75	0.86
8	E"	434	434	0.00	1.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.000
F2	0.000	1.616	0.000
F3	1.400	-0.808	0.000
F4	-1.400	-0.808	0.000
F5	0.000	0.000	1.642
F6	0.000	0.000	-1.642

	P1	F2	F3	F4	F5	F6
P1		1.6161	1.6161	1.6161	1.6421	1.6421
F2	1.6161		2.7992	2.7992	2.3040	2.3040
F3	1.6161	2.7992		2.7992	2.3040	2.3040
F4	1.6161	2.7992	2.7992		2.3040	2.3040
F5	1.6421	2.3040	2.3040	2.3040		3.2841
F6	1.6421	2.3040	2.3040	2.3040	3.2841

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: BLYP/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	1.073
2	F	-0.200
3	F	-0.200
4	F	-0.200
5	F	-0.236
6	F	-0.236

<r²>	142.476
(<r²>)^1/2	11.936

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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