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	hartrees
Energy at 0K	-1890.646569
Energy at 298.15K	-1890.645914
HF Energy	-1890.646569
Nuclear repulsion energy	417.317195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1096	1094	0.00
2	A₁	385	385	0.00
3	A₁	167	167	0.00
4	B₁	26	26	0.00
5	B₂	692	690	145.12
6	B₂	278	278	4.51
7	E	854	852	272.27
7	E	854	852	272.27
8	E	472	471	6.07
8	E	472	471	6.07
9	E	97	97	0.63
9	E	97	97	0.63

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.532	1.748
Cl4	0.000	-1.532	1.748
Cl5	1.532	0.000	-1.748
Cl6	-1.532	0.000	-1.748

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6929	1.7775	1.7775	3.0131	3.0131
B2	1.6929		3.0131	3.0131	1.7775	1.7775
Cl3	1.7775	3.0131		3.0636	4.1131	4.1131
Cl4	1.7775	3.0131	3.0636		4.1131	4.1131
Cl5	3.0131	1.7775	4.1131	4.1131		3.0636
Cl6	3.0131	1.7775	4.1131	4.1131	3.0636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.484	B1	B2	Cl6	120.484
B2	B1	Cl3	120.484	B2	B1	Cl4	120.484
Cl3	B1	Cl4	119.031	Cl5	B2	Cl6	119.031

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	B	0.207
2	B	0.207
3	Cl	-0.103
4	Cl	-0.103
5	Cl	-0.103
6	Cl	-0.103

<r²>	413.562
(<r²>)^1/2	20.336

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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