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	hartrees
Energy at 0K	-1889.847507
Energy at 298.15K	-1889.846861
HF Energy	-1889.847507
Nuclear repulsion energy	419.507198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1124	1117	0.00
2	A₁	396	394	0.00
3	A₁	168	167	0.00
4	B₁	20	20	0.00
5	B₂	716	712	157.44
6	B₂	282	280	4.40
7	E	904	899	283.59
7	E	904	899	283.59
8	E	472	469	5.08
8	E	472	469	5.08
9	E	89	89	0.48
9	E	89	89	0.48

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.847
B2	0.000	0.000	-0.847
Cl3	0.000	1.522	1.741
Cl4	0.000	-1.522	1.741
Cl5	1.522	0.000	-1.741
Cl6	-1.522	0.000	-1.741

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6934	1.7657	1.7657	3.0025	3.0025
B2	1.6934		3.0025	3.0025	1.7657	1.7657
Cl3	1.7657	3.0025		3.0445	4.0944	4.0944
Cl4	1.7657	3.0025	3.0445		4.0944	4.0944
Cl5	3.0025	1.7657	4.0944	4.0944		3.0445
Cl6	3.0025	1.7657	4.0944	4.0944	3.0445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.445	B1	B2	Cl6	120.445
B2	B1	Cl3	120.445	B2	B1	Cl4	120.445
Cl3	B1	Cl4	119.110	Cl5	B2	Cl6	119.110

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

using model chemistry: PBEPBE/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	0.059
2	B	0.059
3	Cl	-0.029
4	Cl	-0.029
5	Cl	-0.029
6	Cl	-0.029

<r²>	408.808
(<r²>)^1/2	20.219

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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