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	hartrees
Energy at 0K	-51.924034
Energy at 298.15K	-51.926344
HF Energy	-51.924034
Nuclear repulsion energy	22.237401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2537	2495	0.00
2	A₁	1162	1143	0.00
3	A₁	874	859	0.00
4	B₁	574	565	0.00
5	B₂	2517	2475	50.49
6	B₂	1090	1072	0.03
7	E	2582	2540	64.21
7	E	2582	2540	64.21
8	E	955	939	23.07
8	E	955	939	23.07
9	E	352	346	0.42
9	E	352	346	0.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.816
B2	0.000	0.000	-0.816
H3	0.000	1.021	1.468
H4	0.000	-1.021	1.468
H5	1.021	0.000	-1.468
H6	-1.021	0.000	-1.468

	B1	B2	H3	H4	H5	H6
B1		1.6319	1.2116	1.2116	2.5021	2.5021
B2	1.6319		2.5021	2.5021	1.2116	1.2116
H3	1.2116	2.5021		2.0417	3.2725	3.2725
H4	1.2116	2.5021	2.0417		3.2725	3.2725
H5	2.5021	1.2116	3.2725	3.2725		2.0417
H6	2.5021	1.2116	3.2725	3.2725	2.0417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.585	B1	B2	H6	122.585
B2	B1	H3	122.585	B2	B1	H4	122.585
H3	B1	H4	114.831	H5	B2	H6	114.831

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

using model chemistry: PBEPBEultrafine/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	-0.046
2	B	-0.046
3	H	0.023
4	H	0.023
5	H	0.023
6	H	0.023

<r²>	28.665
(<r²>)^1/2	5.354

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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