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	hartrees
Energy at 0K	-1881.547018
Energy at 298.15K	-1881.546392
HF Energy	-1881.547018
Nuclear repulsion energy	417.773748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1145	1105	0.00
2	A₁	385	371	0.00
3	A₁	175	169	0.00
4	B₁	25	24	0.00
5	B₂	680	656	154.80
6	B₂	290	280	4.70
7	E	834	805	262.69
7	E	834	805	262.69
8	E	490	473	9.59
8	E	490	473	9.59
9	E	98	95	2.23
9	E	98	95	2.23

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.830
B2	0.000	0.000	-0.830
Cl3	0.000	1.545	1.725
Cl4	0.000	-1.545	1.725
Cl5	1.545	0.000	-1.725
Cl6	-1.545	0.000	-1.725

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6602	1.7855	1.7855	2.9857	2.9857
B2	1.6602		2.9857	2.9857	1.7855	1.7855
Cl3	1.7855	2.9857		3.0905	4.0834	4.0834
Cl4	1.7855	2.9857	3.0905		4.0834	4.0834
Cl5	2.9857	1.7855	4.0834	4.0834		3.0905
Cl6	2.9857	1.7855	4.0834	4.0834	3.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.069	B1	B2	Cl6	120.069
B2	B1	Cl3	120.069	B2	B1	Cl4	120.069
Cl3	B1	Cl4	119.863	Cl5	B2	Cl6	119.863

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

using model chemistry: B3LYPultrafine/3-21G

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	0.096
2	B	0.096
3	Cl	-0.048
4	Cl	-0.048
5	Cl	-0.048
6	Cl	-0.048

<r²>	411.899
(<r²>)^1/2	20.295

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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