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	hartrees
Energy at 0K	-1890.034534
Energy at 298.15K	-1890.034015
HF Energy	-1890.034534
Nuclear repulsion energy	423.830964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1149	1101	0.00
2	A₁	410	393	0.00
3	A₁	174	167	0.00
4	B₁	25	24	0.00
5	B₂	741	710	169.20
6	B₂	296	284	4.50
7	E	936	897	340.67
7	E	936	897	340.67
8	E	494	473	8.43
8	E	494	473	8.43
9	E	97	93	1.10
9	E	97	93	1.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.508	1.722
Cl4	0.000	-1.508	1.722
Cl5	1.508	0.000	-1.722
Cl6	-1.508	0.000	-1.722

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6859	1.7454	1.7454	2.9754	2.9754
B2	1.6859		2.9754	2.9754	1.7454	1.7454
Cl3	1.7454	2.9754		3.0159	4.0508	4.0508
Cl4	1.7454	2.9754	3.0159		4.0508	4.0508
Cl5	2.9754	1.7454	4.0508	4.0508		3.0159
Cl6	2.9754	1.7454	4.0508	4.0508	3.0159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.240	B1	B2	Cl6	120.240
B2	B1	Cl3	120.240	B2	B1	Cl4	120.240
Cl3	B1	Cl4	119.521	Cl5	B2	Cl6	119.521

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

using model chemistry: PBE1PBE/6-311G*

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	0.159
2	B	0.159
3	Cl	-0.080
4	Cl	-0.080
5	Cl	-0.080
6	Cl	-0.080

<r²>	402.585
(<r²>)^1/2	20.065

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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