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	hartrees
Energy at 0K	-1890.771829
Energy at 298.15K	-1890.771272
HF Energy	-1890.771829
Nuclear repulsion energy	421.440605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1128	1087	0.00
2	A₁	400	386	0.00
3	A₁	172	166	0.00
4	B₁	26	25	0.00
5	B₂	720	694	164.10
6	B₂	290	280	4.40
7	E	897	865	311.13
7	E	897	865	311.13
8	E	488	471	7.85
8	E	488	471	7.85
9	E	97	94	0.92
9	E	97	94	0.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
Cl3	0.000	1.516	1.732
Cl4	0.000	-1.516	1.732
Cl5	1.516	0.000	-1.732
Cl6	-1.516	0.000	-1.732

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6868	1.7574	1.7574	2.9888	2.9888
B2	1.6868		2.9888	2.9888	1.7574	1.7574
Cl3	1.7574	2.9888		3.0320	4.0744	4.0744
Cl4	1.7574	2.9888	3.0320		4.0744	4.0744
Cl5	2.9888	1.7574	4.0744	4.0744		3.0320
Cl6	2.9888	1.7574	4.0744	4.0744	3.0320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.387	B1	B2	Cl6	120.387
B2	B1	Cl3	120.387	B2	B1	Cl4	120.387
Cl3	B1	Cl4	119.226	Cl5	B2	Cl6	119.226

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

using model chemistry: TPSSh/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	0.123
2	B	0.123
3	Cl	-0.061
4	Cl	-0.061
5	Cl	-0.061
6	Cl	-0.061

<r²>	406.006
(<r²>)^1/2	20.150

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

using model chemistry: TPSSh/TZVP

States and conformations

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