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	hartrees
Energy at 0K	-1890.070644
Energy at 298.15K	-1890.070152
HF Energy	-1889.830824
Nuclear repulsion energy	422.372638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1146	1094	0.00
2	A₁	407	388	0.00
3	A₁	176	168	0.00
4	B₁	26	24	0.00
5	B₂	735	701	153.86
6	B₂	296	283	4.31
7	E	918	876	317.06
7	E	918	876	317.06
8	E	499	476	8.50
8	E	499	476	8.50
9	E	101	96	1.13
9	E	101	96	1.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.515	1.725
Cl4	0.000	-1.515	1.725
Cl5	1.515	0.000	-1.725
Cl6	-1.515	0.000	-1.725

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6856	1.7532	1.7532	2.9817	2.9817
B2	1.6856		2.9817	2.9817	1.7532	1.7532
Cl3	1.7532	2.9817		3.0299	4.0616	4.0616
Cl4	1.7532	2.9817	3.0299		4.0616	4.0616
Cl5	2.9817	1.7532	4.0616	4.0616		3.0299
Cl6	2.9817	1.7532	4.0616	4.0616	3.0299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.222	B1	B2	Cl6	120.222
B2	B1	Cl3	120.222	B2	B1	Cl4	120.222
Cl3	B1	Cl4	119.556	Cl5	B2	Cl6	119.556

All results from a given calculation for B₂Cl₄ (Diboron tetrachloride)

using model chemistry: B2PLYP/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	B	0.108
2	B	0.108
3	Cl	-0.054
4	Cl	-0.054
5	Cl	-0.054
6	Cl	-0.054

<r²>	404.524
(<r²>)^1/2	20.113

All results from a given calculation for B2Cl4 (Diboron tetrachloride)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for B₂Cl₄ (Diboron tetrachloride)