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	hartrees
Energy at 0K	-505.464901
Energy at 298.15K	-505.465059
Nuclear repulsion energy	225.041325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	610	586	0.00
2	A₁'	580	558	0.00
3	A₂"	708	681	105.78
4	A₂"	342	328	61.26
5	E'	702	675	84.55
5	E'	702	675	84.56
6	E'	310	298	52.56
6	E'	310	298	52.56
7	E'	111	107	0.86
7	E'	111	107	0.86
8	E"	321	308	0.00
8	E"	321	308	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.757	0.000
F3	1.521	-0.878	0.000
F4	-1.521	-0.878	0.000
F5	0.000	0.000	1.771
F6	0.000	0.000	-1.771

	As1	F2	F3	F4	F5	F6
As1		1.7567	1.7567	1.7567	1.7706	1.7706
F2	1.7567		3.0428	3.0428	2.4942	2.4942
F3	1.7567	3.0428		3.0428	2.4942	2.4942
F4	1.7567	3.0428	3.0428		2.4942	2.4942
F5	1.7706	2.4942	2.4942	2.4942		3.5411
F6	1.7706	2.4942	2.4942	2.4942	3.5411

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/SDD

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	1.814
2	F	-0.354
3	F	-0.354
4	F	-0.354
5	F	-0.375
6	F	-0.375

<r²>	166.183
(<r²>)^1/2	12.891

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

using model chemistry: B3LYP/SDD

States and conformations

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