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	hartrees
Energy at 0K	-7.906894
Energy at 298.15K	-7.909374
HF Energy	-7.906894
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2556	2556	0.00
2	A₁	1203	1203	0.00
3	A₁	877	877	0.00
4	B₁	525	525	0.00
5	B₂	2526	2526	127.80
6	B₂	1121	1121	4.05
7	E	2599	2599	150.09
7	E	2599	2599	150.09
8	E	989	989	19.53
8	E	989	989	19.53
9	E	441	441	0.05
9	E	441	441	0.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.843
B2	0.000	0.000	-0.843
H3	0.000	1.028	1.485
H4	0.000	-1.028	1.485
H5	1.028	0.000	-1.485
H6	-1.028	0.000	-1.485

	B1	B2	H3	H4	H5	H6
B1		1.6857	1.2119	1.2119	2.5450	2.5450
B2	1.6857		2.5450	2.5450	1.2119	1.2119
H3	1.2119	2.5450		2.0551	3.3072	3.3072
H4	1.2119	2.5450	2.0551		3.3072	3.3072
H5	2.5450	1.2119	3.3072	3.3072		2.0551
H6	2.5450	1.2119	3.3072	3.3072	2.0551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.019	B1	B2	H6	122.019
B2	B1	H3	122.019	B2	B1	H4	122.019
H3	B1	H4	115.962	H5	B2	H6	115.962

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	-0.180
2	B	-0.180
3	H	0.090
4	H	0.090
5	H	0.090
6	H	0.090

<r²>	26.462
(<r²>)^1/2	5.144

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)