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	hartrees
Energy at 0K	-2536.563234
Energy at 298.15K	-2536.562514
HF Energy	-2536.563234
Nuclear repulsion energy	319.243223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	682	673	65.67
2	A₁	311	307	18.11
3	E	648	639	126.34
3	E	648	639	126.34
4	E	242	239	3.94
4	E	242	239	3.94

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.398
F2	0.000	1.507	-0.486
F3	1.305	-0.753	-0.486
F4	-1.305	-0.753	-0.486

	As1	F2	F3	F4
As1		1.7465	1.7465	1.7465
F2	1.7465		2.6096	2.6096
F3	1.7465	2.6096		2.6096
F4	1.7465	2.6096	2.6096

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.678		F2	As1	F4	96.678
F3	As1	F4	96.678

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

using model chemistry: B97D3/6-311+G(3df,2p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	As	1.366
2	F	-0.455
3	F	-0.455
4	F	-0.455

	x	y	z	Total
	0.000	0.000	2.465	2.465
CHELPG
AIM
ESP

	x	y	z
x	4.762	0.000	0.000
y	0.000	4.763	-0.000
z	0.000	-0.000	4.197

<r²>	93.440
(<r²>)^1/2	9.666

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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