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	hartrees
Energy at 0K	-2535.628941
Energy at 298.15K	-2535.628354
HF Energy	-2535.628941
Nuclear repulsion energy	324.987997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	724	692	79.90
2	A₁	337	323	24.91
3	E	685	655	131.20
3	E	685	655	131.21
4	E	259	247	4.88
4	E	259	247	4.88

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.391
F2	0.000	1.501	-0.478
F3	1.300	-0.750	-0.478
F4	-1.300	-0.750	-0.478

	As1	F2	F3	F4
As1		1.7348	1.7348	1.7348
F2	1.7348		2.5996	2.5996
F3	1.7348	2.5996		2.5996
F4	1.7348	2.5996	2.5996

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	97.051		F2	As1	F4	97.051
F3	As1	F4	97.051

All results from a given calculation for AsF₃ (Arsenic trifluoride)

using model chemistry: wB97X-D/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	0.998
2	F	-0.333
3	F	-0.333
4	F	-0.333

	x	y	z	Total
	0.000	0.000	2.427	2.427
CHELPG
AIM
ESP

	x	y	z
x	3.960	0.000	0.000
y	0.000	3.963	-0.003
z	0.000	-0.003	3.428

<r²>	90.528
(<r²>)^1/2	9.515

All results from a given calculation for AsF3 (Arsenic trifluoride)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for AsF₃ (Arsenic trifluoride)