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	hartrees
Energy at 0K	-52.014629
Energy at 298.15K	-52.016984
HF Energy	-52.014629
Nuclear repulsion energy	22.240886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2491	2491	0.00
2	A₁	1161	1161	0.00
3	A₁	855	855	0.00
4	B₁	561	561	0.00
5	B₂	2468	2468	69.58
6	B₂	1095	1095	1.34
7	E	2531	2531	91.70
7	E	2531	2531	91.70
8	E	961	961	23.93
8	E	961	961	23.93
9	E	371	371	2.43
9	E	371	371	2.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.818
B2	0.000	0.000	-0.818
H3	0.000	1.021	1.466
H4	0.000	-1.021	1.466
H5	1.021	0.000	-1.466
H6	-1.021	0.000	-1.466

	B1	B2	H3	H4	H5	H6
B1		1.6355	1.2090	1.2090	2.5012	2.5012
B2	1.6355		2.5012	2.5012	1.2090	1.2090
H3	1.2090	2.5012		2.0412	3.2676	3.2676
H4	1.2090	2.5012	2.0412		3.2676	3.2676
H5	2.5012	1.2090	3.2676	3.2676		2.0412
H6	2.5012	1.2090	3.2676	3.2676	2.0412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.415	B1	B2	H6	122.415
B2	B1	H3	122.415	B2	B1	H4	122.415
H3	B1	H4	115.171	H5	B2	H6	115.171

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

using model chemistry: B97D3/6-311G*

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	-0.144
2	B	-0.144
3	H	0.072
4	H	0.072
5	H	0.072
6	H	0.072

<r²>	29.074
(<r²>)^1/2	5.392

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

using model chemistry: B97D3/6-311G*

States and conformations

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