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	hartrees
Energy at 0K	-1889.880658
Energy at 298.15K	-1889.880027
HF Energy	-1889.880658
Nuclear repulsion energy	421.415090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1110	1098	0.00
2	A₁	397	393	0.00
3	A₁	169	168	0.00
4	B₁	24	23	0.00
5	B₂	713	706	159.57
6	B₂	287	284	4.00
7	E	893	884	313.17
7	E	893	884	313.17
8	E	476	471	6.22
8	E	476	471	6.22
9	E	93	92	0.74
9	E	93	92	0.74

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.518	1.729
Cl4	0.000	-1.518	1.729
Cl5	1.518	0.000	-1.729
Cl6	-1.518	0.000	-1.729

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6866	1.7579	1.7579	2.9873	2.9873
B2	1.6866		2.9873	2.9873	1.7579	1.7579
Cl3	1.7579	2.9873		3.0364	4.0711	4.0711
Cl4	1.7579	2.9873	3.0364		4.0711	4.0711
Cl5	2.9873	1.7579	4.0711	4.0711		3.0364
Cl6	2.9873	1.7579	4.0711	4.0711	3.0364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.273	B1	B2	Cl6	120.273
B2	B1	Cl3	120.273	B2	B1	Cl4	120.273
Cl3	B1	Cl4	119.455	Cl5	B2	Cl6	119.455

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

using model chemistry: PBEPBEultrafine/6-311G*

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	0.130
2	B	0.130
3	Cl	-0.065
4	Cl	-0.065
5	Cl	-0.065
6	Cl	-0.065

<r²>	406.393
(<r²>)^1/2	20.159

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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