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	hartrees
Energy at 0K	-1890.788687
Energy at 298.15K	-1890.788151
HF Energy	-1890.788687
Nuclear repulsion energy	423.408496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1147	1095	0.00
2	A₁	410	392	0.00
3	A₁	175	167	0.00
4	B₁	21	20	0.00
5	B₂	738	705	171.49
6	B₂	297	283	5.06
7	E	936	893	317.85
7	E	936	893	317.85
8	E	492	469	7.81
8	E	492	469	7.81
9	E	97	92	0.92
9	E	97	92	0.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.845
B2	0.000	0.000	-0.845
Cl3	0.000	1.508	1.725
Cl4	0.000	-1.508	1.725
Cl5	1.508	0.000	-1.725
Cl6	-1.508	0.000	-1.725

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6898	1.7465	1.7465	2.9801	2.9801
B2	1.6898		2.9801	2.9801	1.7465	1.7465
Cl3	1.7465	2.9801		3.0167	4.0567	4.0567
Cl4	1.7465	2.9801	3.0167		4.0567	4.0567
Cl5	2.9801	1.7465	4.0567	4.0567		3.0167
Cl6	2.9801	1.7465	4.0567	4.0567	3.0167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.271	B1	B2	Cl6	120.271
B2	B1	Cl3	120.271	B2	B1	Cl4	120.271
Cl3	B1	Cl4	119.458	Cl5	B2	Cl6	119.458

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

using model chemistry: B1B95/6-31G**

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	0.075
2	B	0.075
3	Cl	-0.037
4	Cl	-0.037
5	Cl	-0.037
6	Cl	-0.037

<r²>	402.482
(<r²>)^1/2	20.062

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

using model chemistry: B1B95/6-31G**

States and conformations

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