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	hartrees
Energy at 0K	-1881.352584
Energy at 298.15K	-1881.352036
HF Energy	-1881.352584
Nuclear repulsion energy	423.610093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1149	1103	0.00
2	A₁	409	393	0.00
3	A₁	176	169	0.00
4	B₁	17	17	0.00
5	B₂	731	702	149.09
6	B₂	299	287	4.34
7	E	924	887	283.51
7	E	924	887	283.51
8	E	496	477	6.02
8	E	496	477	6.02
9	E	94	90	1.18
9	E	94	90	1.18

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.839
B2	0.000	0.000	-0.839
Cl3	0.000	1.518	1.710
Cl4	0.000	-1.518	1.710
Cl5	1.518	0.000	-1.710
Cl6	-1.518	0.000	-1.710

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6771	1.7502	1.7502	2.9662	2.9662
B2	1.6771		2.9662	2.9662	1.7502	1.7502
Cl3	1.7502	2.9662		3.0357	4.0376	4.0376
Cl4	1.7502	2.9662	3.0357		4.0376	4.0376
Cl5	2.9662	1.7502	4.0376	4.0376		3.0357
Cl6	2.9662	1.7502	4.0376	4.0376	3.0357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	119.859	B1	B2	Cl6	119.859
B2	B1	Cl3	119.859	B2	B1	Cl4	119.859
Cl3	B1	Cl4	120.283	Cl5	B2	Cl6	120.283

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

using model chemistry: HSEh1PBE/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	0.262
2	B	0.262
3	Cl	-0.131
4	Cl	-0.131
5	Cl	-0.131
6	Cl	-0.131

<r²>	401.625
(<r²>)^1/2	20.041

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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