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	hartrees
Energy at 0K	-1881.766436
Energy at 298.15K	-1881.765880
HF Energy	-1881.766436
Nuclear repulsion energy	422.906160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1139	1093	0.00
2	A₁	406	389	0.00
3	A₁	176	169	0.00
4	B₁	19	18	0.00
5	B₂	725	695	149.41
6	B₂	297	285	4.30
7	E	912	875	280.99
7	E	912	875	280.99
8	E	495	475	6.15
8	E	495	475	6.15
9	E	96	92	1.15
9	E	96	92	1.15

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.839
B2	0.000	0.000	-0.839
Cl3	0.000	1.520	1.714
Cl4	0.000	-1.520	1.714
Cl5	1.520	0.000	-1.714
Cl6	-1.520	0.000	-1.714

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6785	1.7533	1.7533	2.9709	2.9709
B2	1.6785		2.9709	2.9709	1.7533	1.7533
Cl3	1.7533	2.9709		3.0396	4.0453	4.0453
Cl4	1.7533	2.9709	3.0396		4.0453	4.0453
Cl5	2.9709	1.7533	4.0453	4.0453		3.0396
Cl6	2.9709	1.7533	4.0453	4.0453	3.0396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	119.911	B1	B2	Cl6	119.911
B2	B1	Cl3	119.911	B2	B1	Cl4	119.911
Cl3	B1	Cl4	120.177	Cl5	B2	Cl6	120.177

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

using model chemistry: B3PW91/3-21G*

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	0.261
2	B	0.261
3	Cl	-0.131
4	Cl	-0.131
5	Cl	-0.131
6	Cl	-0.131

<r²>	402.830
(<r²>)^1/2	20.071

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

using model chemistry: B3PW91/3-21G*

States and conformations

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