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	hartrees
Energy at 0K	-1890.069153
Energy at 298.15K	-1890.068655
HF Energy	-1889.831004
Nuclear repulsion energy	422.873349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1147	1147	0.00
2	A₁	409	409	0.00
3	A₁	176	176	0.00
4	B₁	26	26	0.00
5	B₂	739	739	165.49
6	B₂	298	298	4.36
7	E	927	927	346.83
7	E	927	927	346.83
8	E	500	500	8.97
8	E	500	500	8.97
9	E	100	100	1.24
9	E	100	100	1.24

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.513	1.724
Cl4	0.000	-1.513	1.724
Cl5	1.513	0.000	-1.724
Cl6	-1.513	0.000	-1.724

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6868	1.7503	1.7503	2.9798	2.9798
B2	1.6868		2.9798	2.9798	1.7503	1.7503
Cl3	1.7503	2.9798		3.0256	4.0575	4.0575
Cl4	1.7503	2.9798	3.0256		4.0575	4.0575
Cl5	2.9798	1.7503	4.0575	4.0575		3.0256
Cl6	2.9798	1.7503	4.0575	4.0575	3.0256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.198	B1	B2	Cl6	120.198
B2	B1	Cl3	120.198	B2	B1	Cl4	120.198
Cl3	B1	Cl4	119.603	Cl5	B2	Cl6	119.603

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

using model chemistry: B2PLYP/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	0.159
2	B	0.159
3	Cl	-0.080
4	Cl	-0.080
5	Cl	-0.080
6	Cl	-0.080

<r²>	404.427
(<r²>)^1/2	20.110

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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