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	hartrees
Energy at 0K	-2735.463605
Energy at 298.15K	-2735.464378
Nuclear repulsion energy	629.525477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	735	704	0.00
2	A₁'	646	619	0.00
3	A₂"	789	756	176.02
4	A₂"	392	376	59.85
5	E'	808	774	127.77
5	E'	808	774	127.76
6	E'	363	348	46.37
6	E'	363	348	46.36
7	E'	129	124	0.30
7	E'	129	124	0.30
8	E"	379	363	0.00
8	E"	379	363	0.00

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.000
F2	0.000	1.680	0.000
F3	1.455	-0.840	0.000
F4	-1.455	-0.840	0.000
F5	0.000	0.000	1.703
F6	0.000	0.000	-1.703

	As1	F2	F3	F4	F5	F6
As1		1.6798	1.6798	1.6798	1.7032	1.7032
F2	1.6798		2.9095	2.9095	2.3922	2.3922
F3	1.6798	2.9095		2.9095	2.3922	2.3922
F4	1.6798	2.9095	2.9095		2.3922	2.3922
F5	1.7032	2.3922	2.3922	2.3922		3.4064
F6	1.7032	2.3922	2.3922	2.3922	3.4064

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/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	2.891
2	F	-0.570
3	F	-0.570
4	F	-0.570
5	F	-0.590
6	F	-0.590

<r²>	155.523
(<r²>)^1/2	12.471

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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