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	hartrees
Energy at 0K	-1890.744801
Energy at 298.15K	-1890.744222
HF Energy	-1890.744801
Nuclear repulsion energy	420.121807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1145	1113	0.00
2	A₁	401	390	0.00
3	A₁	171	166	0.00
4	B₁	22	21	0.00
5	B₂	726	706	176.80
6	B₂	287	279	5.08
7	E	913	888	311.84
7	E	913	888	311.84
8	E	486	473	7.64
8	E	486	473	7.64
9	E	93	91	0.82
9	E	93	91	0.82

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.518	1.742
Cl4	0.000	-1.518	1.742
Cl5	1.518	0.000	-1.742
Cl6	-1.518	0.000	-1.742

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6919	1.7625	1.7625	3.0000	3.0000
B2	1.6919		3.0000	3.0000	1.7625	1.7625
Cl3	1.7625	3.0000		3.0359	4.0918	4.0918
Cl4	1.7625	3.0000	3.0359		4.0918	4.0918
Cl5	3.0000	1.7625	4.0918	4.0918		3.0359
Cl6	3.0000	1.7625	4.0918	4.0918	3.0359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.546	B1	B2	Cl6	120.546
B2	B1	Cl3	120.546	B2	B1	Cl4	120.546
Cl3	B1	Cl4	118.908	Cl5	B2	Cl6	118.908

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

using model chemistry: TPSSh/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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Number	Element	Mulliken
1	B	0.144
2	B	0.144
3	Cl	-0.072
4	Cl	-0.072
5	Cl	-0.072
6	Cl	-0.072

<r²>	408.271
(<r²>)^1/2	20.206

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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