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	hartrees
Energy at 0K	-2735.448886
Energy at 298.15K	-2735.449557
Nuclear repulsion energy	624.703267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	709	686	0.00
2	A₁'	627	606	0.00
3	A₂"	764	739	171.22
4	A₂"	384	371	58.26
5	E'	781	756	125.73
5	E'	781	756	125.71
6	E'	355	343	44.93
6	E'	355	343	44.92
7	E'	126	122	0.29
7	E'	126	122	0.29
8	E"	370	358	0.00
8	E"	370	358	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.693	0.000
F3	1.466	-0.846	0.000
F4	-1.466	-0.846	0.000
F5	0.000	0.000	1.716
F6	0.000	0.000	-1.716

	As1	F2	F3	F4	F5	F6
As1		1.6929	1.6929	1.6929	1.7161	1.7161
F2	1.6929		2.9322	2.9322	2.4106	2.4106
F3	1.6929	2.9322		2.9322	2.4106	2.4106
F4	1.6929	2.9322	2.9322		2.4106	2.4106
F5	1.7161	2.4106	2.4106	2.4106		3.4323
F6	1.7161	2.4106	2.4106	2.4106	3.4323

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-pVTZ

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	2.854
2	F	-0.560
3	F	-0.560
4	F	-0.560
5	F	-0.588
6	F	-0.588

<r²>	157.807
(<r²>)^1/2	12.562

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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