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	hartrees
Energy at 0K	-1890.592249
Energy at 298.15K	-1890.591769
HF Energy	-1890.592249
Nuclear repulsion energy	421.981865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1186	1186	0.00
2	A₁	412	412	0.00
3	A₁	172	172	0.00
4	B₁	34	34	0.00
5	B₂	759	759	175.22
6	B₂	289	289	4.59
7	E	951	951	337.22
7	E	951	951	337.22
8	E	496	496	7.99
8	E	496	496	7.99
9	E	96	96	1.31
9	E	96	96	1.31

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.844
B2	0.000	0.000	-0.844
Cl3	0.000	1.514	1.731
Cl4	0.000	-1.514	1.731
Cl5	1.514	0.000	-1.731
Cl6	-1.514	0.000	-1.731

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6883	1.7542	1.7542	2.9867	2.9867
B2	1.6883		2.9867	2.9867	1.7542	1.7542
Cl3	1.7542	2.9867		3.0276	4.0696	4.0696
Cl4	1.7542	2.9867	3.0276		4.0696	4.0696
Cl5	2.9867	1.7542	4.0696	4.0696		3.0276
Cl6	2.9867	1.7542	4.0696	4.0696	3.0276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.349	B1	B2	Cl6	120.349
B2	B1	Cl3	120.349	B2	B1	Cl4	120.349
Cl3	B1	Cl4	119.302	Cl5	B2	Cl6	119.302

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

using model chemistry: M06-2X/cc-pVDZ

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>	404.981
(<r²>)^1/2	20.124

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

using model chemistry: M06-2X/cc-pVDZ

States and conformations

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