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	hartrees
Energy at 0K	-1869.976983
Energy at 298.15K	-1869.976278
HF Energy	-1869.976983
Nuclear repulsion energy	417.425772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1225	1093	0.00
2	A₁	427	381	0.00
3	A₁	178	159	0.00
4	B₁	24	22	0.00
5	B₂	783	699	159.96
6	B₂	299	267	14.14
7	E	1031	920	188.58
7	E	1031	920	188.58
8	E	507	452	21.81
8	E	507	452	21.81
9	E	100	89	2.18
9	E	100	89	2.18

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
Cl3	0.000	1.539	1.736
Cl4	0.000	-1.539	1.736
Cl5	1.539	0.000	-1.736
Cl6	-1.539	0.000	-1.736

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6749	1.7826	1.7826	2.9989	2.9989
B2	1.6749		2.9989	2.9989	1.7826	1.7826
Cl3	1.7826	2.9989		3.0789	4.0985	4.0985
Cl4	1.7826	2.9989	3.0789		4.0985	4.0985
Cl5	2.9989	1.7826	4.0985	4.0985		3.0789
Cl6	2.9989	1.7826	4.0985	4.0985	3.0789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.278	B1	B2	Cl6	120.278
B2	B1	Cl3	120.278	B2	B1	Cl4	120.278
Cl3	B1	Cl4	119.444	Cl5	B2	Cl6	119.444

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

using model chemistry: B3LYP/STO-3G

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	0.261
2	B	0.261
3	Cl	-0.131
4	Cl	-0.131
5	Cl	-0.131
6	Cl	-0.131

<r²>	410.651
(<r²>)^1/2	20.265

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

using model chemistry: B3LYP/STO-3G

States and conformations

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