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	hartrees
Energy at 0K	-7.917300
Energy at 298.15K	-7.919749
HF Energy	-7.917300
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2580	2580	0.00
2	A₁	1212	1212	0.00
3	A₁	869	869	0.00
4	B₁	501	501	0.00
5	B₂	2555	2555	121.75
6	B₂	1127	1127	9.83
7	E	2621	2621	135.01
7	E	2621	2621	135.01
8	E	996	996	19.45
8	E	996	996	19.45
9	E	436	436	0.31
9	E	436	436	0.31

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
H3	0.000	1.026	1.487
H4	0.000	-1.026	1.487
H5	1.026	0.000	-1.487
H6	-1.026	0.000	-1.487

	B1	B2	H3	H4	H5	H6
B1		1.6913	1.2096	1.2096	2.5481	2.5481
B2	1.6913		2.5481	2.5481	1.2096	1.2096
H3	1.2096	2.5481		2.0513	3.3087	3.3087
H4	1.2096	2.5481	2.0513		3.3087	3.3087
H5	2.5481	1.2096	3.3087	3.3087		2.0513
H6	2.5481	1.2096	3.3087	3.3087	2.0513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.015	B1	B2	H6	122.015
B2	B1	H3	122.015	B2	B1	H4	122.015
H3	B1	H4	115.970	H5	B2	H6	115.970

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

using model chemistry: wB97X-D/CEP-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	-0.216
2	B	-0.216
3	H	0.108
4	H	0.108
5	H	0.108
6	H	0.108

<r²>	26.476
(<r²>)^1/2	5.146

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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