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	hartrees
Energy at 0K	-2736.208117
Energy at 298.15K	-2736.208626
HF Energy	-2736.208117
Nuclear repulsion energy	620.048551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	668	659	0.00
2	A₁'	602	594	0.00
3	A₂"	734	724	163.09
4	A₂"	375	370	49.04
5	E'	744	734	122.59
5	E'	744	734	122.58
6	E'	347	342	37.26
6	E'	347	342	37.25
7	E'	117	116	0.29
7	E'	117	116	0.29
8	E"	358	354	0.00
8	E"	358	354	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.706	0.000
F3	1.478	-0.853	0.000
F4	-1.478	-0.853	0.000
F5	0.000	0.000	1.728
F6	0.000	0.000	-1.728

	As1	F2	F3	F4	F5	F6
As1		1.7064	1.7064	1.7064	1.7278	1.7278
F2	1.7064		2.9556	2.9556	2.4284	2.4284
F3	1.7064	2.9556		2.9556	2.4284	2.4284
F4	1.7064	2.9556	2.9556		2.4284	2.4284
F5	1.7278	2.4284	2.4284	2.4284		3.4557
F6	1.7278	2.4284	2.4284	2.4284	3.4557

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: B97D3/6-311+G(3df,2p)

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	2.247
2	F	-0.393
3	F	-0.393
4	F	-0.393
5	F	-0.535
6	F	-0.535

<r²>	159.455
(<r²>)^1/2	12.628

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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