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	hartrees
Energy at 0K	-1885.787321
Energy at 298.15K	-1885.786691
HF Energy	-1885.787321
Nuclear repulsion energy	424.790968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1155	1142	0.00
2	A₁	406	401	0.00
3	A₁	167	165	0.00
4	B₁	19	19	0.00
5	B₂	735	727	129.99
6	B₂	282	279	5.20
7	E	930	920	256.00
7	E	930	920	256.00
8	E	470	465	3.52
8	E	470	465	3.52
9	E	84	83	0.43
9	E	84	83	0.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.836
B2	0.000	0.000	-0.836
Cl3	0.000	1.505	1.717
Cl4	0.000	-1.505	1.717
Cl5	1.505	0.000	-1.717
Cl6	-1.505	0.000	-1.717

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6726	1.7439	1.7439	2.9641	2.9641
B2	1.6726		2.9641	2.9641	1.7439	1.7439
Cl3	1.7439	2.9641		3.0098	4.0407	4.0407
Cl4	1.7439	2.9641	3.0098		4.0407	4.0407
Cl5	2.9641	1.7439	4.0407	4.0407		3.0098
Cl6	2.9641	1.7439	4.0407	4.0407	3.0098

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: LSDA/aug-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	0.081
2	B	0.081
3	Cl	-0.041
4	Cl	-0.041
5	Cl	-0.041
6	Cl	-0.041

<r²>	399.948
(<r²>)^1/2	19.999

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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