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	hartrees
Energy at 0K	-2735.331241
Energy at 298.15K	-2735.331920
HF Energy	-2735.331241
Nuclear repulsion energy	625.646626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	713	690	0.00
2	A₁'	638	618	0.00
3	A₂"	778	754	166.27
4	A₂"	384	372	54.92
5	E'	789	764	123.71
5	E'	789	764	123.76
6	E'	356	345	42.53
6	E'	356	345	42.52
7	E'	124	120	0.41
7	E'	124	120	0.41
8	E"	369	357	0.00
8	E"	369	357	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.836	0.000
F3	1.590	-0.918	0.000
F4	-1.590	-0.918	0.000
F5	0.000	0.000	1.920
F6	0.000	0.000	-1.920

	As1	F2	F3	F4	F5	F6
As1		1.8357	1.8357	1.8357	1.9200	1.9200
F2	1.8357		3.1795	3.1795	2.6564	2.6564
F3	1.8357	3.1795		3.1795	2.6564	2.6564
F4	1.8357	3.1795	3.1795		2.6564	2.6564
F5	1.9200	2.6564	2.6564	2.6564		3.8400
F6	1.9200	2.6564	2.6564	2.6564	3.8400

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: TPSSh/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	1.310
2	F	-0.251
3	F	-0.251
4	F	-0.251
5	F	-0.278
6	F	-0.278

<r²>	156.912
(<r²>)^1/2	12.526

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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