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	hartrees
Energy at 0K	-1889.763119
Energy at 298.15K	-1889.762496
HF Energy	-1889.763119
Nuclear repulsion energy	420.405486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1108	1096	0.00
2	A₁	397	392	0.00
3	A₁	171	169	0.00
4	B₁	21	21	0.00
5	B₂	712	704	151.86
6	B₂	288	285	3.91
7	E	895	884	300.24
7	E	895	884	300.24
8	E	477	472	5.57
8	E	477	472	5.57
9	E	95	94	0.65
9	E	95	94	0.65

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.848
B2	0.000	0.000	-0.848
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		1.6957	1.7607	1.7607	2.9975	2.9975
B2	1.6957		2.9975	2.9975	1.7607	1.7607
Cl3	1.7607	2.9975		3.0414	4.0829	4.0829
Cl4	1.7607	2.9975	3.0414		4.0829	4.0829
Cl5	2.9975	1.7607	4.0829	4.0829		3.0414
Cl6	2.9975	1.7607	4.0829	4.0829	3.0414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.267	B1	B2	Cl6	120.267
B2	B1	Cl3	120.267	B2	B1	Cl4	120.267
Cl3	B1	Cl4	119.466	Cl5	B2	Cl6	119.466

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

using model chemistry: PBEPBE/6-31+G**

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	-0.126
2	B	-0.126
3	Cl	0.063
4	Cl	0.063
5	Cl	0.063
6	Cl	0.063

<r²>	407.977
(<r²>)^1/2	20.198

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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