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	hartrees
Energy at 0K	-1890.696562
Energy at 298.15K	-1890.696000
HF Energy	-1890.696562
Nuclear repulsion energy	417.394412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1162	1108	0.00
2	A₁	393	375	0.00
3	A₁	175	167	0.00
4	B₁	24	23	0.00
5	B₂	704	672	166.26
6	B₂	293	279	4.91
7	E	885	844	283.52
7	E	885	844	283.52
8	E	492	469	9.79
8	E	492	469	9.79
9	E	103	98	1.91
9	E	103	98	1.91

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.835
B2	0.000	0.000	-0.835
Cl3	0.000	1.537	1.740
Cl4	0.000	-1.537	1.740
Cl5	1.537	0.000	-1.740
Cl6	-1.537	0.000	-1.740

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6692	1.7837	1.7837	2.9986	2.9986
B2	1.6692		2.9986	2.9986	1.7837	1.7837
Cl3	1.7837	2.9986		3.0734	4.1033	4.1033
Cl4	1.7837	2.9986	3.0734		4.1033	4.1033
Cl5	2.9986	1.7837	4.1033	4.1033		3.0734
Cl6	2.9986	1.7837	4.1033	4.1033	3.0734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.514	B1	B2	Cl6	120.514
B2	B1	Cl3	120.514	B2	B1	Cl4	120.514
Cl3	B1	Cl4	118.973	Cl5	B2	Cl6	118.973

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

using model chemistry: B1B95/6-31G

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	-0.027
2	B	-0.027
3	Cl	0.013
4	Cl	0.013
5	Cl	0.013
6	Cl	0.013

<r²>	413.095
(<r²>)^1/2	20.325

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

using model chemistry: B1B95/6-31G

States and conformations

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