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	hartrees
Energy at 0K	-52.005110
Energy at 298.15K	-52.007491
HF Energy	-52.005110
Nuclear repulsion energy	22.162007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2532	2482	0.00
2	A₁	1182	1159	0.00
3	A₁	861	844	0.00
4	B₁	554	543	0.00
5	B₂	2509	2460	75.52
6	B₂	1117	1095	2.67
7	E	2573	2522	90.38
7	E	2573	2522	90.38
8	E	974	955	26.13
8	E	974	955	26.13
9	E	387	379	1.80
9	E	387	379	1.80

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.823
B2	0.000	0.000	-0.823
H3	0.000	1.022	1.471
H4	0.000	-1.022	1.471
H5	1.022	0.000	-1.471
H6	-1.022	0.000	-1.471

	B1	B2	H3	H4	H5	H6
B1		1.6454	1.2105	1.2105	2.5115	2.5115
B2	1.6454		2.5115	2.5115	1.2105	1.2105
H3	1.2105	2.5115		2.0439	3.2787	3.2787
H4	1.2105	2.5115	2.0439		3.2787	3.2787
H5	2.5115	1.2105	3.2787	3.2787		2.0439
H6	2.5115	1.2105	3.2787	3.2787	2.0439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.004	B1	B2	H6	122.004
B2	B1	H3	122.004	B2	B1	H4	122.004
H3	B1	H4	115.993	H5	B2	H6	115.993

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

using model chemistry: B97D3/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	B	-0.008
2	B	-0.008
3	H	0.004
4	H	0.004
5	H	0.004
6	H	0.004

<r²>	28.895
(<r²>)^1/2	5.375

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

using model chemistry: B97D3/6-31G*

States and conformations

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