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	hartrees
Energy at 0K	-1887.478046
Energy at 298.15K	-1887.477660
HF Energy	-1887.478046
Nuclear repulsion energy	421.150051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1180	1068	0.00
2	A₁	416	377	0.00
3	A₁	180	163	0.00
4	B₁	29	26	0.00
5	B₂	754	683	193.63
6	B₂	304	275	6.55
7	E	950	860	335.18
7	E	950	860	335.18
8	E	527	477	16.56
8	E	527	477	16.56
9	E	106	96	1.99
9	E	106	96	1.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.854
B2	0.000	0.000	-0.854
Cl3	0.000	1.516	1.736
Cl4	0.000	-1.516	1.736
Cl5	1.516	0.000	-1.736
Cl6	-1.516	0.000	-1.736

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.7072	1.7537	1.7537	3.0003	3.0003
B2	1.7072		3.0003	3.0003	1.7537	1.7537
Cl3	1.7537	3.0003		3.0313	4.0799	4.0799
Cl4	1.7537	3.0003	3.0313		4.0799	4.0799
Cl5	3.0003	1.7537	4.0799	4.0799		3.0313
Cl6	3.0003	1.7537	4.0799	4.0799	3.0313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.201	B1	B2	Cl6	120.201
B2	B1	Cl3	120.201	B2	B1	Cl4	120.201
Cl3	B1	Cl4	119.597	Cl5	B2	Cl6	119.597

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

using model chemistry: HF/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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Number	Element	Mulliken
1	B	0.336
2	B	0.336
3	Cl	-0.168
4	Cl	-0.168
5	Cl	-0.168
6	Cl	-0.168

<r²>	407.622
(<r²>)^1/2	20.190

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

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

States and conformations

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