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	hartrees
Energy at 0K	-505.383728
Energy at 298.15K	-505.383892
Nuclear repulsion energy	224.290366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	617	593	0.00
2	A₁'	582	560	0.00
3	A₂"	703	676	109.41
4	A₂"	340	327	64.35
5	E'	707	680	86.67
5	E'	707	680	86.67
6	E'	307	295	55.80
6	E'	307	295	55.81
7	E'	114	109	0.66
7	E'	114	109	0.66
8	E"	320	308	0.00
8	E"	320	308	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.762	0.000
F3	1.526	-0.881	0.000
F4	-1.526	-0.881	0.000
F5	0.000	0.000	1.778
F6	0.000	0.000	-1.778

	As1	F2	F3	F4	F5	F6
As1		1.7618	1.7618	1.7618	1.7778	1.7778
F2	1.7618		3.0514	3.0514	2.5029	2.5029
F3	1.7618	3.0514		3.0514	2.5029	2.5029
F4	1.7618	3.0514	3.0514		2.5029	2.5029
F5	1.7778	2.5029	2.5029	2.5029		3.5556
F6	1.7778	2.5029	2.5029	2.5029	3.5556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	As1	F3	120.000	F2	As1	F4	120.000
F2	As1	F5	90.000	F2	As1	F6	90.000
F3	As1	F4	120.000	F3	As1	F5	90.000
F3	As1	F6	90.000	F4	As1	F5	90.000
F4	As1	F6	90.000	F5	As1	F6	180.000

All results from a given calculation for AsF₅ (Arsenic pentafluoride)

using model chemistry: B3LYP/LANL2DZ

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	As	1.925
2	F	-0.375
3	F	-0.375
4	F	-0.375
5	F	-0.400
6	F	-0.400

<r²>	167.290
(<r²>)^1/2	12.934

All results from a given calculation for AsF5 (Arsenic pentafluoride)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for AsF₅ (Arsenic pentafluoride)