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	hartrees
Energy at 0K	-1888.318064
Energy at 298.15K	-1888.317574
HF Energy	-1887.553267
Nuclear repulsion energy	419.449051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1167	1142
2	A₁	410	401
3	A₁	174	171
4	B₁	22	22
5	B₂	746	731
6	B₂	294	288
7	E	958	937
7	E	958	937
8	E	500	490
8	E	500	490
9	E	97	95
9	E	97	95

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.853
B2	0.000	0.000	-0.853
Cl3	0.000	1.524	1.739
Cl4	0.000	-1.524	1.739
Cl5	1.524	0.000	-1.739
Cl6	-1.524	0.000	-1.739

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.7065	1.7630	1.7630	3.0073	3.0073
B2	1.7065		3.0073	3.0073	1.7630	1.7630
Cl3	1.7630	3.0073		3.0484	4.0922	4.0922
Cl4	1.7630	3.0073	3.0484		4.0922	4.0922
Cl5	3.0073	1.7630	4.0922	4.0922		3.0484
Cl6	3.0073	1.7630	4.0922	4.0922	3.0484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.169	B1	B2	Cl6	120.169
B2	B1	Cl3	120.169	B2	B1	Cl4	120.169
Cl3	B1	Cl4	119.662	Cl5	B2	Cl6	119.662

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

using model chemistry: CCSD(T)/cc-pVDZ

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

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

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