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	hartrees
Energy at 0K	-1890.645784
Energy at 298.15K	-1890.645227
HF Energy	-1890.645784
Nuclear repulsion energy	420.956201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1132	1084	0.00
2	A₁	403	386	0.00
3	A₁	174	167	0.00
4	B₁	24	23	0.00
5	B₂	726	696	168.62
6	B₂	294	282	4.83
7	E	909	870	307.63
7	E	909	870	307.63
8	E	493	473	9.56
8	E	493	473	9.56
9	E	100	96	1.13
9	E	100	96	1.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.519	1.732
Cl4	0.000	-1.519	1.732
Cl5	1.519	0.000	-1.732
Cl6	-1.519	0.000	-1.732

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6929	1.7587	1.7587	2.9928	2.9928
B2	1.6929		2.9928	2.9928	1.7587	1.7587
Cl3	1.7587	2.9928		3.0389	4.0764	4.0764
Cl4	1.7587	2.9928	3.0389		4.0764	4.0764
Cl5	2.9928	1.7587	4.0764	4.0764		3.0389
Cl6	2.9928	1.7587	4.0764	4.0764	3.0389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.235	B1	B2	Cl6	120.235
B2	B1	Cl3	120.235	B2	B1	Cl4	120.235
Cl3	B1	Cl4	119.530	Cl5	B2	Cl6	119.530

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

using model chemistry: B3LYPultrafine/6-31G*

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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Number	Element	Mulliken
1	B	0.112
2	B	0.112
3	Cl	-0.056
4	Cl	-0.056
5	Cl	-0.056
6	Cl	-0.056

<r²>	406.701
(<r²>)^1/2	20.167

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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