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	hartrees
Energy at 0K	-1888.378920
Energy at 298.15K	-1888.378358
HF Energy	-1887.561707
Nuclear repulsion energy	418.512791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1151	1108
2	A₁	401	386
3	A₁	170	163
4	B₁	19	18
5	B₂	725	698
6	B₂	287	276
7	E	923	888
7	E	923	888
8	E	490	472
8	E	490	472
9	E	95	91
9	E	95	91

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.853
B2	0.000	0.000	-0.853
Cl3	0.000	1.528	1.742
Cl4	0.000	-1.528	1.742
Cl5	1.528	0.000	-1.742
Cl6	-1.528	0.000	-1.742

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.7068	1.7679	1.7679	3.0120	3.0120
B2	1.7068		3.0120	3.0120	1.7679	1.7679
Cl3	1.7679	3.0120		3.0568	4.1000	4.1000
Cl4	1.7679	3.0120	3.0568		4.1000	4.1000
Cl5	3.0120	1.7679	4.1000	4.1000		3.0568
Cl6	3.0120	1.7679	4.1000	4.1000	3.0568

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	119.656	Cl5	B2	Cl6	119.656

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

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

States and conformations

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