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	hartrees
Energy at 0K	-1888.351039
Energy at 298.15K	-1888.350516
HF Energy	-1887.561765
Nuclear repulsion energy	419.035635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1161	1119	0.00
2	A₁	404	389	0.00
3	A₁	171	165	0.00
4	B₁	20	19	0.00
5	B₂	733	706	155.50
6	B₂	290	279	5.94
7	E	933	899	306.29
7	E	933	899	306.29
8	E	496	478	7.72
8	E	496	478	7.72
9	E	97	93	1.14
9	E	97	93	1.14

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.853
B2	0.000	0.000	-0.853
Cl3	0.000	1.526	1.741
Cl4	0.000	-1.526	1.741
Cl5	1.526	0.000	-1.741
Cl6	-1.526	0.000	-1.741

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.7068	1.7651	1.7651	3.0096	3.0096
B2	1.7068		3.0096	3.0096	1.7651	1.7651
Cl3	1.7651	3.0096		3.0520	4.0958	4.0958
Cl4	1.7651	3.0096	3.0520		4.0958	4.0958
Cl5	3.0096	1.7651	4.0958	4.0958		3.0520
Cl6	3.0096	1.7651	4.0958	4.0958	3.0520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.172	B1	B2	Cl6	120.172
B2	B1	Cl3	120.172	B2	B1	Cl4	120.172
Cl3	B1	Cl4	119.655	Cl5	B2	Cl6	119.655

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

using model chemistry: CCSD/aug-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/aug-cc-pVDZ

States and conformations

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