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	hartrees
Energy at 0K	-1888.680777
Energy at 298.15K	-1888.680286
HF Energy	-1887.626170
Nuclear repulsion energy	422.810004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1152	1152
2	A₁	406	406
3	A₁	173	173
4	B₁	24	24
5	B₂	737	737
6	B₂	292	292
7	E	936	936
7	E	936	936
8	E	500	500
8	E	500	500
9	E	97	97
9	E	97	97

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.513	1.725
Cl4	0.000	-1.513	1.725
Cl5	1.513	0.000	-1.725
Cl6	-1.513	0.000	-1.725

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6922	1.7493	1.7493	2.9828	2.9828
B2	1.6922		2.9828	2.9828	1.7493	1.7493
Cl3	1.7493	2.9828		3.0252	4.0590	4.0590
Cl4	1.7493	2.9828	3.0252		4.0590	4.0590
Cl5	2.9828	1.7493	4.0590	4.0590		3.0252
Cl6	2.9828	1.7493	4.0590	4.0590	3.0252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.152	B1	B2	Cl6	120.152
B2	B1	Cl3	120.152	B2	B1	Cl4	120.152
Cl3	B1	Cl4	119.695	Cl5	B2	Cl6	119.695

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

using model chemistry: QCISD(T)/cc-pCVTZ

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

using model chemistry: QCISD(T)/cc-pCVTZ

States and conformations

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