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	hartrees
Energy at 0K	-2535.487685
Energy at 298.15K	-2535.487041
Nuclear repulsion energy	318.347048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	723	701	62.02
2	A₁	315	306	24.09
3	E	701	680	102.33
3	E	701	680	102.32
4	E	243	236	5.29
4	E	243	236	5.29

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.402
F2	0.000	1.508	-0.491
F3	1.306	-0.754	-0.491
F4	-1.306	-0.754	-0.491

	As1	F2	F3	F4
As1		1.7521	1.7521	1.7521
F2	1.7521		2.6116	2.6116
F3	1.7521	2.6116		2.6116
F4	1.7521	2.6116	2.6116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.368		F2	As1	F4	96.368
F3	As1	F4	96.368

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

using model chemistry: B3LYP/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	1.054
2	F	-0.351
3	F	-0.351
4	F	-0.351

	x	y	z	Total
	0.000	0.000	2.667	2.667
CHELPG
AIM
ESP

	x	y	z
x	3.562	0.000	0.000
y	0.000	3.562	-0.000
z	0.000	-0.000	2.880

<r²>	93.471
(<r²>)^1/2	9.668

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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