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	hartrees
Energy at 0K	-1888.418579
Energy at 298.15K	-1888.418083
HF Energy	-1887.477960
Nuclear repulsion energy	422.578283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1159	1098	0.00
2	A₁	410	388	0.00
3	A₁	174	165	0.00
4	B₁	22	21	0.00
5	B₂	746	707	165.29
6	B₂	294	278	5.97
7	E	949	899	312.64
7	E	949	899	312.64
8	E	505	478	9.39
8	E	505	478	9.39
9	E	97	92	1.24
9	E	97	92	1.24

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.849
B2	0.000	0.000	-0.849
Cl3	0.000	1.513	1.727
Cl4	0.000	-1.513	1.727
Cl5	1.513	0.000	-1.727
Cl6	-1.513	0.000	-1.727

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6972	1.7491	1.7491	2.9869	2.9869
B2	1.6972		2.9869	2.9869	1.7491	1.7491
Cl3	1.7491	2.9869		3.0251	4.0627	4.0627
Cl4	1.7491	2.9869	3.0251		4.0627	4.0627
Cl5	2.9869	1.7491	4.0627	4.0627		3.0251
Cl6	2.9869	1.7491	4.0627	4.0627	3.0251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.144	B1	B2	Cl6	120.144
B2	B1	Cl3	120.144	B2	B1	Cl4	120.144
Cl3	B1	Cl4	119.712	Cl5	B2	Cl6	119.712

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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