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	hartrees
Energy at 0K	-1882.000096
Energy at 298.15K	-1881.999471
HF Energy	-1882.000096
Nuclear repulsion energy	421.599746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1130	1091	0.00
2	A₁	400	386	0.00
3	A₁	173	167	0.00
4	B₁	14	13	0.00
5	B₂	709	685	156.41
6	B₂	293	283	4.62
7	E	887	856	282.78
7	E	887	856	282.78
8	E	489	472	6.04
8	E	489	472	6.04
9	E	92	89	1.19
9	E	92	89	1.19

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.839
B2	0.000	0.000	-0.839
Cl3	0.000	1.524	1.720
Cl4	0.000	-1.524	1.720
Cl5	1.524	0.000	-1.720
Cl6	-1.524	0.000	-1.720

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6779	1.7600	1.7600	2.9783	2.9783
B2	1.6779		2.9783	2.9783	1.7600	1.7600
Cl3	1.7600	2.9783		3.0471	4.0592	4.0592
Cl4	1.7600	2.9783	3.0471		4.0592	4.0592
Cl5	2.9783	1.7600	4.0592	4.0592		3.0471
Cl6	2.9783	1.7600	4.0592	4.0592	3.0471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.042	B1	B2	Cl6	120.042
B2	B1	Cl3	120.042	B2	B1	Cl4	120.042
Cl3	B1	Cl4	119.915	Cl5	B2	Cl6	119.915

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

using model chemistry: TPSSh/3-21G*

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	0.270
2	B	0.270
3	Cl	-0.135
4	Cl	-0.135
5	Cl	-0.135
6	Cl	-0.135

<r²>	405.230
(<r²>)^1/2	20.130

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

using model chemistry: TPSSh/3-21G*

States and conformations

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