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	hartrees
Energy at 0K	-51.981209
Energy at 298.15K	-51.983647
HF Energy	-51.981209
Nuclear repulsion energy	22.261010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2529	2510	0.00
2	A₁	1180	1171	0.00
3	A₁	882	875	0.00
4	B₁	574	569	0.00
5	B₂	2505	2486	61.60
6	B₂	1123	1115	0.23
7	E	2568	2549	80.75
7	E	2568	2549	80.75
8	E	975	968	25.60
8	E	975	968	25.60
9	E	401	398	0.85
9	E	401	398	0.85

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.816
B2	0.000	0.000	-0.816
H3	0.000	1.018	1.467
H4	0.000	-1.018	1.467
H5	1.018	0.000	-1.467
H6	-1.018	0.000	-1.467

	B1	B2	H3	H4	H5	H6
B1		1.6318	1.2090	1.2090	2.5002	2.5002
B2	1.6318		2.5002	2.5002	1.2090	1.2090
H3	1.2090	2.5002		2.0369	3.2693	3.2693
H4	1.2090	2.5002	2.0369		3.2693	3.2693
H5	2.5002	1.2090	3.2693	3.2693		2.0369
H6	2.5002	1.2090	3.2693	3.2693	2.0369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.610	B1	B2	H6	122.610
B2	B1	H3	122.610	B2	B1	H4	122.610
H3	B1	H4	114.781	H5	B2	H6	114.781

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

using model chemistry: BLYP/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	0.047
2	B	0.047
3	H	-0.024
4	H	-0.024
5	H	-0.024
6	H	-0.024

<r²>	28.708
(<r²>)^1/2	5.358

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

using model chemistry: BLYP/6-31G

States and conformations

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