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	hartrees
Energy at 0K	-1890.022173
Energy at 298.15K	-1890.021627
HF Energy	-1889.731457
Nuclear repulsion energy	422.470169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1142	1090	0.00
2	A₁	404	386	0.00
3	A₁	172	164	0.00
4	B₁	24	23	0.00
5	B₂	732	699	158.58
6	B₂	289	276	5.74
7	E	920	878	296.65
7	E	920	878	296.65
8	E	495	473	8.41
8	E	495	473	8.41
9	E	96	92	1.02
9	E	96	92	1.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.845
B2	0.000	0.000	-0.845
Cl3	0.000	1.514	1.726
Cl4	0.000	-1.514	1.726
Cl5	1.514	0.000	-1.726
Cl6	-1.514	0.000	-1.726

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6892	1.7518	1.7518	2.9832	2.9832
B2	1.6892		2.9832	2.9832	1.7518	1.7518
Cl3	1.7518	2.9832		3.0277	4.0620	4.0620
Cl4	1.7518	2.9832	3.0277		4.0620	4.0620
Cl5	2.9832	1.7518	4.0620	4.0620		3.0277
Cl6	2.9832	1.7518	4.0620	4.0620	3.0277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.209	B1	B2	Cl6	120.209
B2	B1	Cl3	120.209	B2	B1	Cl4	120.209
Cl3	B1	Cl4	119.583	Cl5	B2	Cl6	119.583

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

using model chemistry: B2PLYP/6-31G(2df,p)

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	0.300
2	B	0.300
3	Cl	-0.150
4	Cl	-0.150
5	Cl	-0.150
6	Cl	-0.150

<r²>	403.937
(<r²>)^1/2	20.098

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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