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	hartrees
Energy at 0K	-1890.954386
Energy at 298.15K	-1890.953850
HF Energy	-1890.954386
Nuclear repulsion energy	424.638267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1147	1098	0.00
2	A₁	407	389	0.00
3	A₁	171	164	0.00
4	B₁	25	24	0.00
5	B₂	733	702	154.98
6	B₂	289	276	5.13
7	E	925	885	296.92
7	E	925	885	296.92
8	E	490	469	6.74
8	E	490	469	6.74
9	E	95	91	0.66
9	E	95	91	0.66

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.840
B2	0.000	0.000	-0.840
Cl3	0.000	1.504	1.720
Cl4	0.000	-1.504	1.720
Cl5	1.504	0.000	-1.720
Cl6	-1.504	0.000	-1.720

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6805	1.7425	1.7425	2.9693	2.9693
B2	1.6805		2.9693	2.9693	1.7425	1.7425
Cl3	1.7425	2.9693		3.0086	4.0443	4.0443
Cl4	1.7425	2.9693	3.0086		4.0443	4.0443
Cl5	2.9693	1.7425	4.0443	4.0443		3.0086
Cl6	2.9693	1.7425	4.0443	4.0443	3.0086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.314	B1	B2	Cl6	120.314
B2	B1	Cl3	120.314	B2	B1	Cl4	120.314
Cl3	B1	Cl4	119.373	Cl5	B2	Cl6	119.373

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

using model chemistry: B1B95/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	0.087
2	B	0.087
3	Cl	-0.044
4	Cl	-0.044
5	Cl	-0.044
6	Cl	-0.044

<r²>	400.098
(<r²>)^1/2	20.002

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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