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	hartrees
Energy at 0K	-1869.113225
Energy at 298.15K	-1869.112467
HF Energy	-1869.113225
Nuclear repulsion energy	417.403290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1212	1107	0.00
2	A₁	424	387	0.00
3	A₁	177	161	0.00
4	B₁	22	20	0.00
5	B₂	775	708	150.27
6	B₂	296	271	13.33
7	E	1021	933	170.63
7	E	1021	933	170.63
8	E	494	452	17.19
8	E	494	452	17.19
9	E	96	88	1.43
9	E	96	88	1.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.835
B2	0.000	0.000	-0.835
Cl3	0.000	1.540	1.736
Cl4	0.000	-1.540	1.736
Cl5	1.540	0.000	-1.736
Cl6	-1.540	0.000	-1.736

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6701	1.7840	1.7840	2.9966	2.9966
B2	1.6701		2.9966	2.9966	1.7840	1.7840
Cl3	1.7840	2.9966		3.0800	4.0979	4.0979
Cl4	1.7840	2.9966	3.0800		4.0979	4.0979
Cl5	2.9966	1.7840	4.0979	4.0979		3.0800
Cl6	2.9966	1.7840	4.0979	4.0979	3.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.319	B1	B2	Cl6	120.319
B2	B1	Cl3	120.319	B2	B1	Cl4	120.319
Cl3	B1	Cl4	119.362	Cl5	B2	Cl6	119.362

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

using model chemistry: PBEPBE/STO-3G

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	0.224
2	B	0.224
3	Cl	-0.112
4	Cl	-0.112
5	Cl	-0.112
6	Cl	-0.112

<r²>	410.186
(<r²>)^1/2	20.253

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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