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	hartrees
Energy at 0K	-2523.387333
Energy at 298.15K	-2523.386798
Nuclear repulsion energy	321.636800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	777	748	45.04
2	A₁	326	314	23.11
3	E	768	738	71.14
3	E	768	738	71.14
4	E	255	246	4.69
4	E	255	246	4.69

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.398
F2	0.000	1.492	-0.486
F3	1.292	-0.746	-0.486
F4	-1.292	-0.746	-0.486

	As1	F2	F3	F4
As1		1.7342	1.7342	1.7342
F2	1.7342		2.5848	2.5848
F3	1.7342	2.5848		2.5848
F4	1.7342	2.5848	2.5848

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.360		F2	As1	F4	96.360
F3	As1	F4	96.360

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

using model chemistry: B3LYP/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	0.849
2	F	-0.283
3	F	-0.283
4	F	-0.283

	x	y	z	Total
	0.000	0.000	2.106	2.106
CHELPG
AIM
ESP

	x	y	z
x	3.221	0.000	0.000
y	0.000	3.222	-0.000
z	0.000	-0.000	2.620

<r²>	91.566
(<r²>)^1/2	9.569

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

using model chemistry: B3LYP/3-21G*

States and conformations

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