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	hartrees
Energy at 0K	-2735.217555
Energy at 298.15K	-2735.218090
Nuclear repulsion energy	617.071135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	684	664	0.00
2	A₁'	624	605	0.00
3	A₂"	754	731	172.37
4	A₂"	367	357	51.81
5	E'	768	746	124.97
5	E'	768	746	124.96
6	E'	338	328	42.69
6	E'	338	328	42.68
7	E'	123	120	0.31
7	E'	123	120	0.31
8	E"	348	338	0.00
8	E"	348	338	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.715	0.000
F3	1.485	-0.857	0.000
F4	-1.485	-0.857	0.000
F5	0.000	0.000	1.736
F6	0.000	0.000	-1.736

	As1	F2	F3	F4	F5	F6
As1		1.7148	1.7148	1.7148	1.7359	1.7359
F2	1.7148		2.9701	2.9701	2.4401	2.4401
F3	1.7148	2.9701		2.9701	2.4401	2.4401
F4	1.7148	2.9701	2.9701		2.4401	2.4401
F5	1.7359	2.4401	2.4401	2.4401		3.4719
F6	1.7359	2.4401	2.4401	2.4401	3.4719

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/aug-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	As	2.653
2	F	-0.496
3	F	-0.496
4	F	-0.496
5	F	-0.582
6	F	-0.582

<r²>	161.201
(<r²>)^1/2	12.696

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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