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	hartrees
Energy at 0K	-1878.842545
Energy at 298.15K	-1878.842175
HF Energy	-1878.842545
Nuclear repulsion energy	422.360206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1185	1069	0.00
2	A₁	419	378	0.00
3	A₁	185	167	0.00
4	B₁	26	23	0.00
5	B₂	754	680	184.63
6	B₂	312	282	5.84
7	E	945	853	323.73
7	E	945	853	323.73
8	E	532	480	16.01
8	E	532	480	16.01
9	E	108	97	3.23
9	E	108	97	3.23

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.844
B2	0.000	0.000	-0.844
Cl3	0.000	1.520	1.718
Cl4	0.000	-1.520	1.718
Cl5	1.520	0.000	-1.718
Cl6	-1.520	0.000	-1.718

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6887	1.7534	1.7534	2.9795	2.9795
B2	1.6887		2.9795	2.9795	1.7534	1.7534
Cl3	1.7534	2.9795		3.0402	4.0534	4.0534
Cl4	1.7534	2.9795	3.0402		4.0534	4.0534
Cl5	2.9795	1.7534	4.0534	4.0534		3.0402
Cl6	2.9795	1.7534	4.0534	4.0534	3.0402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	119.893	B1	B2	Cl6	119.893
B2	B1	Cl3	119.893	B2	B1	Cl4	119.893
Cl3	B1	Cl4	120.213	Cl5	B2	Cl6	120.213

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

using model chemistry: HF/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	0.464
2	B	0.464
3	Cl	-0.232
4	Cl	-0.232
5	Cl	-0.232
6	Cl	-0.232

<r²>	405.650
(<r²>)^1/2	20.141

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

using model chemistry: HF/3-21G*

States and conformations

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