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	hartrees
Energy at 0K	-1888.663666
Energy at 298.15K	-1888.663165
HF Energy	-1887.622761
Nuclear repulsion energy	422.396518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1154	1125
2	A₁	406	396
3	A₁	173	169
4	B₁	24	24
5	B₂	738	719
6	B₂	292	285
7	E	936	912
7	E	936	912
8	E	500	488
8	E	500	488
9	E	97	95
9	E	97	94

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.514	1.726
Cl4	0.000	-1.514	1.726
Cl5	1.514	0.000	-1.726
Cl6	-1.514	0.000	-1.726

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6921	1.7515	1.7515	2.9847	2.9847
B2	1.6921		2.9847	2.9847	1.7515	1.7515
Cl3	1.7515	2.9847		3.0288	4.0623	4.0623
Cl4	1.7515	2.9847	3.0288		4.0623	4.0623
Cl5	2.9847	1.7515	4.0623	4.0623		3.0288
Cl6	2.9847	1.7515	4.0623	4.0623	3.0288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.158	B1	B2	Cl6	120.158
B2	B1	Cl3	120.158	B2	B1	Cl4	120.158
Cl3	B1	Cl4	119.685	Cl5	B2	Cl6	119.685

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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