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	hartrees
Energy at 0K	-2531.522800
Energy at 298.15K	-2531.522147
Nuclear repulsion energy	320.806507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	725	52.76
2	A₁	308	305	19.92
3	E	717	709	92.39
3	E	717	709	92.37
4	E	236	234	4.35
4	E	236	234	4.34

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.400
F2	0.000	1.494	-0.489
F3	1.294	-0.747	-0.489
F4	-1.294	-0.747	-0.489

	As1	F2	F3	F4
As1		1.7391	1.7391	1.7391
F2	1.7391		2.5882	2.5882
F3	1.7391	2.5882		2.5882
F4	1.7391	2.5882	2.5882

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.169		F2	As1	F4	96.169
F3	As1	F4	96.169

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

using model chemistry: LSDA/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	0.868
2	F	-0.289
3	F	-0.289
4	F	-0.289

	x	y	z	Total
	0.000	0.000	2.339	2.339
CHELPG
AIM
ESP

	x	y	z
x	3.599	0.000	0.000
y	0.000	3.601	-0.001
z	0.000	-0.001	2.968

<r²>	92.082
(<r²>)^1/2	9.596

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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