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	hartrees
Energy at 0K	-1890.066437
Energy at 298.15K	-1890.065898
HF Energy	-1889.819601
Nuclear repulsion energy	420.310170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1150	1150	0.00
2	A₁	402	402	0.00
3	A₁	171	171	0.00
4	B₁	24	24	0.00
5	B₂	727	727	150.00
6	B₂	288	288	5.44
7	E	913	913	296.80
7	E	913	913	296.80
8	E	491	491	7.17
8	E	491	491	7.17
9	E	97	97	0.93
9	E	97	97	0.93

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.847
B2	0.000	0.000	-0.847
Cl3	0.000	1.521	1.735
Cl4	0.000	-1.521	1.735
Cl5	1.521	0.000	-1.735
Cl6	-1.521	0.000	-1.735

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6932	1.7618	1.7618	2.9968	2.9968
B2	1.6932		2.9968	2.9968	1.7618	1.7618
Cl3	1.7618	2.9968		3.0425	4.0834	4.0834
Cl4	1.7618	2.9968	3.0425		4.0834	4.0834
Cl5	2.9968	1.7618	4.0834	4.0834		3.0425
Cl6	2.9968	1.7618	4.0834	4.0834	3.0425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.295	B1	B2	Cl6	120.295
B2	B1	Cl3	120.295	B2	B1	Cl4	120.295
Cl3	B1	Cl4	119.410	Cl5	B2	Cl6	119.410

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	B	0.391
2	B	0.391
3	Cl	-0.196
4	Cl	-0.196
5	Cl	-0.196
6	Cl	-0.196

<r²>	408.448
(<r²>)^1/2	20.210

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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