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	hartrees
Energy at 0K	-51.676621
Energy at 298.15K	-51.678743
HF Energy	-51.676621
Nuclear repulsion energy	22.544674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2507	2476	0.00
2	A₁	1123	1109	0.00
3	A₁	882	871	0.00
4	B₁	621	613	0.00
5	B₂	2486	2455	19.34
6	B₂	1027	1015	6.00
7	E	2557	2526	37.29
7	E	2557	2526	37.29
8	E	920	908	16.79
8	E	920	908	16.79
9	E	263	260	0.00
9	E	263	260	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.796
B2	0.000	0.000	-0.796
H3	0.000	1.019	1.446
H4	0.000	-1.019	1.446
H5	1.019	0.000	-1.446
H6	-1.019	0.000	-1.446

	B1	B2	H3	H4	H5	H6
B1		1.5914	1.2084	1.2084	2.4620	2.4620
B2	1.5914		2.4620	2.4620	1.2084	1.2084
H3	1.2084	2.4620		2.0375	3.2304	3.2304
H4	1.2084	2.4620	2.0375		3.2304	3.2304
H5	2.4620	1.2084	3.2304	3.2304		2.0375
H6	2.4620	1.2084	3.2304	3.2304	2.0375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.539	B1	B2	H6	122.539
B2	B1	H3	122.539	B2	B1	H4	122.539
H3	B1	H4	114.922	H5	B2	H6	114.922

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

using model chemistry: LSDA/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	-0.112
2	B	-0.112
3	H	0.056
4	H	0.056
5	H	0.056
6	H	0.056

<r²>	28.363
(<r²>)^1/2	5.326

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

using model chemistry: LSDA/6-311G**

States and conformations

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