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	hartrees
Energy at 0K	-1889.876298
Energy at 298.15K	-1889.875672
HF Energy	-1889.876298
Nuclear repulsion energy	420.931665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1109	1097	0.00
2	A₁	395	391	0.00
3	A₁	169	167	0.00
4	B₁	24	23	0.00
5	B₂	710	702	146.81
6	B₂	285	282	3.90
7	E	888	878	285.41
7	E	888	878	285.41
8	E	474	469	5.46
8	E	474	469	5.46
9	E	93	92	0.62
9	E	93	92	0.62

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.520	1.731
Cl4	0.000	-1.520	1.731
Cl5	1.520	0.000	-1.731
Cl6	-1.520	0.000	-1.731

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6868	1.7604	1.7604	2.9896	2.9896
B2	1.6868		2.9896	2.9896	1.7604	1.7604
Cl3	1.7604	2.9896		3.0409	4.0749	4.0749
Cl4	1.7604	2.9896	3.0409		4.0749	4.0749
Cl5	2.9896	1.7604	4.0749	4.0749		3.0409
Cl6	2.9896	1.7604	4.0749	4.0749	3.0409

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	119.465	Cl5	B2	Cl6	119.465

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

using model chemistry: PBEPBEultrafine/TZVP

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	0.048
2	B	0.048
3	Cl	-0.024
4	Cl	-0.024
5	Cl	-0.024
6	Cl	-0.024

<r²>	406.433
(<r²>)^1/2	20.160

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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