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	hartrees
Energy at 0K	-2523.380414
Energy at 298.15K	-2523.379767
Nuclear repulsion energy	317.432739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	733	729	35.46
2	A₁	304	302	16.81
3	E	726	722	61.36
3	E	726	722	61.36
4	E	241	240	3.54
4	E	241	240	3.54

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.398
F2	0.000	1.517	-0.486
F3	1.314	-0.759	-0.486
F4	-1.314	-0.759	-0.486

	As1	F2	F3	F4
As1		1.7560	1.7560	1.7560
F2	1.7560		2.6278	2.6278
F3	1.7560	2.6278		2.6278
F4	1.7560	2.6278	2.6278

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.873		F2	As1	F4	96.873
F3	As1	F4	96.873

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

using model chemistry: BLYP/3-21G*

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	0.733
2	F	-0.244
3	F	-0.244
4	F	-0.244

	x	y	z	Total
	0.000	0.000	1.856	1.856
CHELPG
AIM
ESP

	x	y	z
x	3.381	0.000	0.000
y	0.000	3.382	-0.000
z	0.000	-0.000	2.781

<r²>	93.537
(<r²>)^1/2	9.671

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

using model chemistry: BLYP/3-21G*

States and conformations

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