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	hartrees
Energy at 0K	-1890.656389
Energy at 298.15K	-1890.655863
HF Energy	-1890.656389
Nuclear repulsion energy	422.961118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1149	1089	0.00
2	A₁	411	390	0.00
3	A₁	176	167	0.00
4	B₁	22	21	0.00
5	B₂	743	704	169.13
6	B₂	298	283	4.90
7	E	939	891	314.83
7	E	939	891	314.83
8	E	496	471	8.52
8	E	496	471	8.52
9	E	98	93	1.04
9	E	98	93	1.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.847
B2	0.000	0.000	-0.847
Cl3	0.000	1.510	1.727
Cl4	0.000	-1.510	1.727
Cl5	1.510	0.000	-1.727
Cl6	-1.510	0.000	-1.727

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6935	1.7479	1.7479	2.9839	2.9839
B2	1.6935		2.9839	2.9839	1.7479	1.7479
Cl3	1.7479	2.9839		3.0204	4.0605	4.0605
Cl4	1.7479	2.9839	3.0204		4.0605	4.0605
Cl5	2.9839	1.7479	4.0605	4.0605		3.0204
Cl6	2.9839	1.7479	4.0605	4.0605	3.0204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.228	B1	B2	Cl6	120.228
B2	B1	Cl3	120.228	B2	B1	Cl4	120.228
Cl3	B1	Cl4	119.543	Cl5	B2	Cl6	119.543

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

using model chemistry: mPW1PW91/6-31G*

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	0.085
2	B	0.085
3	Cl	-0.043
4	Cl	-0.043
5	Cl	-0.043
6	Cl	-0.043

<r²>	403.411
(<r²>)^1/2	20.085

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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