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	hartrees
Energy at 0K	-1888.382679
Energy at 298.15K	-1888.382158
HF Energy	-1887.561777
Nuclear repulsion energy	419.642467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1166	1166	0.00
2	A₁	406	406	0.00
3	A₁	171	171	0.00
4	B₁	18	18	0.00
5	B₂	735	735	153.98
6	B₂	291	291	5.87
7	E	937	937	306.07
7	E	937	937	306.07
8	E	498	498	7.65
8	E	498	498	7.65
9	E	96	96	1.13
9	E	96	96	1.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.852
B2	0.000	0.000	-0.852
Cl3	0.000	1.525	1.736
Cl4	0.000	-1.525	1.736
Cl5	1.525	0.000	-1.736
Cl6	-1.525	0.000	-1.736

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.7034	1.7630	1.7630	3.0040	3.0040
B2	1.7034		3.0040	3.0040	1.7630	1.7630
Cl3	1.7630	3.0040		3.0499	4.0879	4.0879
Cl4	1.7630	3.0040	3.0499		4.0879	4.0879
Cl5	3.0040	1.7630	4.0879	4.0879		3.0499
Cl6	3.0040	1.7630	4.0879	4.0879	3.0499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.119	B1	B2	Cl6	120.119
B2	B1	Cl3	120.119	B2	B1	Cl4	120.119
Cl3	B1	Cl4	119.762	Cl5	B2	Cl6	119.762

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

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