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	hartrees
Energy at 0K	-1889.922274
Energy at 298.15K	-1889.921636
HF Energy	-1889.922274
Nuclear repulsion energy	421.793819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1108	1100	0.00
2	A₁	394	392	0.00
3	A₁	167	165	0.00
4	B₁	24	24	0.00
5	B₂	710	705	139.72
6	B₂	280	279	4.32
7	E	888	882	265.76
7	E	888	882	265.76
8	E	474	471	4.82
8	E	474	471	4.82
9	E	91	90	0.44
9	E	91	90	0.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.517	1.728
Cl4	0.000	-1.517	1.728
Cl5	1.517	0.000	-1.728
Cl6	-1.517	0.000	-1.728

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6853	1.7563	1.7563	2.9848	2.9848
B2	1.6853		2.9848	2.9848	1.7563	1.7563
Cl3	1.7563	2.9848		3.0335	4.0676	4.0676
Cl4	1.7563	2.9848	3.0335		4.0676	4.0676
Cl5	2.9848	1.7563	4.0676	4.0676		3.0335
Cl6	2.9848	1.7563	4.0676	4.0676	3.0335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.275	B1	B2	Cl6	120.275
B2	B1	Cl3	120.275	B2	B1	Cl4	120.275
Cl3	B1	Cl4	119.450	Cl5	B2	Cl6	119.450

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	0.070
2	B	0.070
3	Cl	-0.035
4	Cl	-0.035
5	Cl	-0.035
6	Cl	-0.035

<r²>	404.715
(<r²>)^1/2	20.118

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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