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	hartrees
Energy at 0K	-51.847312
Energy at 298.15K	-51.849783
HF Energy	-51.638244
Nuclear repulsion energy	21.970868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2573	2573	0.00
2	A₁	1221	1221	0.00
3	A₁	851	851	0.00
4	B₁	493	493	0.00
5	B₂	2554	2554	91.71
6	B₂	1159	1159	21.40
7	E	2627	2627	103.31
7	E	2627	2627	103.31
8	E	1004	1004	24.09
8	E	1004	1004	24.09
9	E	433	433	8.99
9	E	433	433	8.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.838
B2	0.000	0.000	-0.838
H3	0.000	1.028	1.476
H4	0.000	-1.028	1.476
H5	1.028	0.000	-1.476
H6	-1.028	0.000	-1.476

	B1	B2	H3	H4	H5	H6
B1		1.6768	1.2102	1.2102	2.5329	2.5329
B2	1.6768		2.5329	2.5329	1.2102	1.2102
H3	1.2102	2.5329		2.0569	3.2914	3.2914
H4	1.2102	2.5329	2.0569		3.2914	3.2914
H5	2.5329	1.2102	3.2914	3.2914		2.0569
H6	2.5329	1.2102	3.2914	3.2914	2.0569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.810	B1	B2	H6	121.810
B2	B1	H3	121.810	B2	B1	H4	121.810
H3	B1	H4	116.380	H5	B2	H6	116.380

All results from a given calculation for B₂H₄ (Diborane(4) D2d)

using model chemistry: CCD/daug-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 B2H4 (Diborane(4) D2d)

using model chemistry: CCD/daug-cc-pVDZ

States and conformations

All results from a given calculation for B₂H₄ (Diborane(4) D2d)