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	hartrees
Energy at 0K	-1882.008221
Energy at 298.15K	-1882.007660
HF Energy	-1882.008221
Nuclear repulsion energy	421.828881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1133	1090	0.00
2	A₁	402	387	0.00
3	A₁	176	169	0.00
4	B₁	21	20	0.00
5	B₂	718	690	149.62
6	B₂	296	285	4.19
7	E	893	859	278.79
7	E	893	859	278.79
8	E	496	477	6.92
8	E	496	477	6.92
9	E	98	95	1.26
9	E	98	95	1.26

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.838
B2	0.000	0.000	-0.838
Cl3	0.000	1.524	1.717
Cl4	0.000	-1.524	1.717
Cl5	1.524	0.000	-1.717
Cl6	-1.524	0.000	-1.717

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6767	1.7594	1.7594	2.9755	2.9755
B2	1.6767		2.9755	2.9755	1.7594	1.7594
Cl3	1.7594	2.9755		3.0484	4.0546	4.0546
Cl4	1.7594	2.9755	3.0484		4.0546	4.0546
Cl5	2.9755	1.7594	4.0546	4.0546		3.0484
Cl6	2.9755	1.7594	4.0546	4.0546	3.0484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	119.964	B1	B2	Cl6	119.964
B2	B1	Cl3	119.964	B2	B1	Cl4	119.964
Cl3	B1	Cl4	120.072	Cl5	B2	Cl6	120.072

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

using model chemistry: B3LYP/3-21G*

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	0.276
2	B	0.276
3	Cl	-0.138
4	Cl	-0.138
5	Cl	-0.138
6	Cl	-0.138

<r²>	404.631
(<r²>)^1/2	20.115

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

using model chemistry: B3LYP/3-21G*

States and conformations

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