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	hartrees
Energy at 0K	-1890.645779
Energy at 298.15K	-1890.645238
HF Energy	-1890.645779
Nuclear repulsion energy	420.959584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1133	1088	0.00
2	A₁	403	387	0.00
3	A₁	175	168	0.00
4	B₁	24	23	0.00
5	B₂	726	698	168.91
6	B₂	295	283	4.82
7	E	908	872	307.38
7	E	908	872	307.38
8	E	493	474	9.57
8	E	493	474	9.57
9	E	100	96	1.13
9	E	100	96	1.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.519	1.733
Cl4	0.000	-1.519	1.733
Cl5	1.519	0.000	-1.733
Cl6	-1.519	0.000	-1.733

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6925	1.7587	1.7587	2.9930	2.9930
B2	1.6925		2.9930	2.9930	1.7587	1.7587
Cl3	1.7587	2.9930		3.0378	4.0771	4.0771
Cl4	1.7587	2.9930	3.0378		4.0771	4.0771
Cl5	2.9930	1.7587	4.0771	4.0771		3.0378
Cl6	2.9930	1.7587	4.0771	4.0771	3.0378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.267	B1	B2	Cl6	120.267
B2	B1	Cl3	120.267	B2	B1	Cl4	120.267
Cl3	B1	Cl4	119.465	Cl5	B2	Cl6	119.465

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

using model chemistry: B3LYP/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	0.111
2	B	0.111
3	Cl	-0.056
4	Cl	-0.056
5	Cl	-0.056
6	Cl	-0.056

<r²>	406.754
(<r²>)^1/2	20.168

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

using model chemistry: B3LYP/6-31G**

States and conformations

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