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	hartrees
Energy at 0K	-3615.698659
Energy at 298.15K	-3615.697016
HF Energy	-3615.698659
Nuclear repulsion energy	537.357954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	392	387	19.58
2	A₁	178	176	2.55
3	E	365	361	100.04
3	E	365	361	100.05
4	E	140	138	0.58
4	E	140	138	0.58

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.625
Cl2	0.000	1.960	-0.405
Cl3	1.697	-0.980	-0.405
Cl4	-1.697	-0.980	-0.405

	As1	Cl2	Cl3	Cl4
As1		2.2143	2.2143	2.2143
Cl2	2.2143		3.3948	3.3948
Cl3	2.2143	3.3948		3.3948
Cl4	2.2143	3.3948	3.3948

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	As1	Cl3	100.096		Cl2	As1	Cl4	100.096
Cl3	As1	Cl4	100.096

All results from a given calculation for AsCl₃ (Arsenous trichloride)

using model chemistry: PBEPBEultrafine/TZVP

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	0.491
2	Cl	-0.164
3	Cl	-0.164
4	Cl	-0.164

	x	y	z	Total
	0.000	0.000	1.779	1.779
CHELPG
AIM
ESP

<r²>	252.243
(<r²>)^1/2	15.882

All results from a given calculation for AsCl3 (Arsenous trichloride)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for AsCl₃ (Arsenous trichloride)