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	hartrees
Energy at 0K	-1881.406071
Energy at 298.15K	-1881.405563
HF Energy	-1881.406071
Nuclear repulsion energy	420.477864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1176	1128	0.00
2	A₁	400	383	0.00
3	A₁	177	169	0.00
4	B₁	37	35	0.00
5	B₂	727	697	162.76
6	B₂	294	282	4.64
7	E	891	854	287.35
7	E	891	854	287.35
8	E	499	479	8.81
8	E	499	479	8.81
9	E	99	95	3.11
9	E	99	95	3.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.829
B2	0.000	0.000	-0.829
Cl3	0.000	1.536	1.713
Cl4	0.000	-1.536	1.713
Cl5	1.536	0.000	-1.713
Cl6	-1.536	0.000	-1.713

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6579	1.7721	1.7721	2.9699	2.9699
B2	1.6579		2.9699	2.9699	1.7721	1.7721
Cl3	1.7721	2.9699		3.0715	4.0565	4.0565
Cl4	1.7721	2.9699	3.0715		4.0565	4.0565
Cl5	2.9699	1.7721	4.0565	4.0565		3.0715
Cl6	2.9699	1.7721	4.0565	4.0565	3.0715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	119.927	B1	B2	Cl6	119.927
B2	B1	Cl3	119.927	B2	B1	Cl4	119.927
Cl3	B1	Cl4	120.145	Cl5	B2	Cl6	120.145

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

using model chemistry: M06-2X/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	0.089
2	B	0.089
3	Cl	-0.045
4	Cl	-0.045
5	Cl	-0.045
6	Cl	-0.045

<r²>	407.476
(<r²>)^1/2	20.186

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

using model chemistry: M06-2X/3-21G

States and conformations

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