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	hartrees
Energy at 0K	-1890.772116
Energy at 298.15K	-1890.771555
HF Energy	-1890.772116
Nuclear repulsion energy	421.937495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1129	1087	0.00
2	A₁	402	388	0.00
3	A₁	172	166	0.00
4	B₁	25	24	0.00
5	B₂	724	697	176.74
6	B₂	292	281	4.52
7	E	905	872	338.68
7	E	905	872	338.68
8	E	490	472	8.66
8	E	490	472	8.66
9	E	97	93	1.06
9	E	97	93	1.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.844
B2	0.000	0.000	-0.844
Cl3	0.000	1.513	1.732
Cl4	0.000	-1.513	1.732
Cl5	1.513	0.000	-1.732
Cl6	-1.513	0.000	-1.732

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6875	1.7545	1.7545	2.9871	2.9871
B2	1.6875		2.9871	2.9871	1.7545	1.7545
Cl3	1.7545	2.9871		3.0264	4.0713	4.0713
Cl4	1.7545	2.9871	3.0264		4.0713	4.0713
Cl5	2.9871	1.7545	4.0713	4.0713		3.0264
Cl6	2.9871	1.7545	4.0713	4.0713	3.0264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.405	B1	B2	Cl6	120.405
B2	B1	Cl3	120.405	B2	B1	Cl4	120.405
Cl3	B1	Cl4	119.189	Cl5	B2	Cl6	119.189

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

using model chemistry: TPSSh/6-311G*

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	0.193
2	B	0.193
3	Cl	-0.096
4	Cl	-0.096
5	Cl	-0.096
6	Cl	-0.096

<r²>	405.972
(<r²>)^1/2	20.149

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

using model chemistry: TPSSh/6-311G*

States and conformations

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