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	hartrees
Energy at 0K	-1888.424844
Energy at 298.15K	-1888.424329
HF Energy	-1887.477983
Nuclear repulsion energy	422.230806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1156	1095	0.00
2	A₁	408	387	0.00
3	A₁	173	164	0.00
4	B₁	21	20	0.00
5	B₂	742	703	159.08
6	B₂	292	277	5.96
7	E	944	894	302.27
7	E	944	894	302.27
8	E	501	474	8.66
8	E	501	474	8.66
9	E	97	91	1.16
9	E	97	91	1.16

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.848
B2	0.000	0.000	-0.848
Cl3	0.000	1.514	1.728
Cl4	0.000	-1.514	1.728
Cl5	1.514	0.000	-1.728
Cl6	-1.514	0.000	-1.728

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6958	1.7513	1.7513	2.9878	2.9878
B2	1.6958		2.9878	2.9878	1.7513	1.7513
Cl3	1.7513	2.9878		3.0283	4.0654	4.0654
Cl4	1.7513	2.9878	3.0283		4.0654	4.0654
Cl5	2.9878	1.7513	4.0654	4.0654		3.0283
Cl6	2.9878	1.7513	4.0654	4.0654	3.0283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.164	B1	B2	Cl6	120.164
B2	B1	Cl3	120.164	B2	B1	Cl4	120.164
Cl3	B1	Cl4	119.673	Cl5	B2	Cl6	119.673

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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