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	hartrees
Energy at 0K	-2734.324259
Energy at 298.15K	-2734.324637
Nuclear repulsion energy	609.991132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	663	660	0.00
2	A₁'	622	618	0.00
3	A₂"	753	748	128.73
4	A₂"	355	353	45.18
5	E'	753	749	99.93
5	E'	753	749	99.94
6	E'	328	326	36.39
6	E'	328	326	36.39
7	E'	105	105	0.84
7	E'	105	105	0.84
8	E"	337	335	0.00
8	E"	337	335	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.737	0.000
F3	1.504	-0.868	0.000
F4	-1.504	-0.868	0.000
F5	0.000	0.000	1.753
F6	0.000	0.000	-1.753

	As1	F2	F3	F4	F5	F6
As1		1.7368	1.7368	1.7368	1.7530	1.7530
F2	1.7368		3.0082	3.0082	2.4676	2.4676
F3	1.7368	3.0082		3.0082	2.4676	2.4676
F4	1.7368	3.0082	3.0082		2.4676	2.4676
F5	1.7530	2.4676	2.4676	2.4676		3.5059
F6	1.7530	2.4676	2.4676	2.4676	3.5059

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: PBEPBE/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	1.270
2	F	-0.246
3	F	-0.246
4	F	-0.246
5	F	-0.266
6	F	-0.266

<r²>	163.507
(<r²>)^1/2	12.787

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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