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	hartrees
Energy at 0K	-1882.149207
Energy at 298.15K	-1882.148632
HF Energy	-1882.149207
Nuclear repulsion energy	424.028322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1146	1095	0.00
2	A₁	408	390	0.00
3	A₁	175	167	0.00
4	B₁	11	10	0.00
5	B₂	726	693	153.21
6	B₂	298	285	4.58
7	E	919	878	289.04
7	E	919	878	289.04
8	E	494	472	5.78
8	E	494	472	5.78
9	E	94	89	1.09
9	E	94	89	1.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
Cl3	0.000	1.515	1.711
Cl4	0.000	-1.515	1.711
Cl5	1.515	0.000	-1.711
Cl6	-1.515	0.000	-1.711

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6747	1.7483	1.7483	2.9642	2.9642
B2	1.6747		2.9642	2.9642	1.7483	1.7483
Cl3	1.7483	2.9642		3.0291	4.0366	4.0366
Cl4	1.7483	2.9642	3.0291		4.0366	4.0366
Cl5	2.9642	1.7483	4.0366	4.0366		3.0291
Cl6	2.9642	1.7483	4.0366	4.0366	3.0291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	119.971	B1	B2	Cl6	119.971
B2	B1	Cl3	119.971	B2	B1	Cl4	119.971
Cl3	B1	Cl4	120.058	Cl5	B2	Cl6	120.058

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

using model chemistry: B1B95/3-21G*

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	0.244
2	B	0.244
3	Cl	-0.122
4	Cl	-0.122
5	Cl	-0.122
6	Cl	-0.122

<r²>	400.911
(<r²>)^1/2	20.023

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

using model chemistry: B1B95/3-21G*

States and conformations

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