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	hartrees
Energy at 0K	-2735.169190
Energy at 298.15K	-2735.169825
Nuclear repulsion energy	619.877897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	716	686	0.00
2	A₁'	659	632	0.00
3	A₂"	803	770	152.06
4	A₂"	378	362	57.84
5	E'	807	774	113.17
5	E'	807	774	113.15
6	E'	349	335	48.09
6	E'	349	335	48.08
7	E'	116	111	1.00
7	E'	116	111	1.00
8	E"	359	344	0.00
8	E"	359	344	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.708	0.000
F3	1.479	-0.854	0.000
F4	-1.479	-0.854	0.000
F5	0.000	0.000	1.727
F6	0.000	0.000	-1.727

	As1	F2	F3	F4	F5	F6
As1		1.7078	1.7078	1.7078	1.7268	1.7268
F2	1.7078		2.9581	2.9581	2.4287	2.4287
F3	1.7078	2.9581		2.9581	2.4287	2.4287
F4	1.7078	2.9581	2.9581		2.4287	2.4287
F5	1.7268	2.4287	2.4287	2.4287		3.4537
F6	1.7268	2.4287	2.4287	2.4287	3.4537

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: mPW1PW91/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	1.466
2	F	-0.284
3	F	-0.284
4	F	-0.284
5	F	-0.307
6	F	-0.307

<r²>	159.337
(<r²>)^1/2	12.623

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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