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	hartrees
Energy at 0K	-1890.563502
Energy at 298.15K	-1890.562901
HF Energy	-1890.563502
Nuclear repulsion energy	414.948124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1146	1103	0.00
2	A₁	386	371	0.00
3	A₁	174	167	0.00
4	B₁	26	25	0.00
5	B₂	691	665	168.36
6	B₂	289	278	4.70
7	E	859	827	279.59
7	E	859	827	279.59
8	E	489	470	9.93
8	E	489	470	9.93
9	E	103	99	1.92
9	E	103	99	1.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.836
B2	0.000	0.000	-0.836
Cl3	0.000	1.545	1.751
Cl4	0.000	-1.545	1.751
Cl5	1.545	0.000	-1.751
Cl6	-1.545	0.000	-1.751

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6729	1.7957	1.7957	3.0139	3.0139
B2	1.6729		3.0139	3.0139	1.7957	1.7957
Cl3	1.7957	3.0139		3.0907	4.1281	4.1281
Cl4	1.7957	3.0139	3.0907		4.1281	4.1281
Cl5	3.0139	1.7957	4.1281	4.1281		3.0907
Cl6	3.0139	1.7957	4.1281	4.1281	3.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.620	B1	B2	Cl6	120.620
B2	B1	Cl3	120.620	B2	B1	Cl4	120.620
Cl3	B1	Cl4	118.761	Cl5	B2	Cl6	118.761

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

using model chemistry: TPSSh/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	0.004
2	B	0.004
3	Cl	-0.002
4	Cl	-0.002
5	Cl	-0.002
6	Cl	-0.002

<r²>	417.649
(<r²>)^1/2	20.436

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

using model chemistry: TPSSh/6-31G

States and conformations

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