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	hartrees
Energy at 0K	-7.622484
Energy at 298.15K	-7.625078
HF Energy	-7.622484
Nuclear repulsion energy	11.711518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2650	2389	0.00
2	A₁	1289	1161	0.00
3	A₁	894	806	0.00
4	B₁	485	437	0.00
5	B₂	2616	2358	195.15
6	B₂	1211	1092	25.52
7	E	2690	2424	227.71
7	E	2690	2424	227.71
8	E	1055	951	27.95
8	E	1055	951	27.95
9	E	501	452	3.74
9	E	501	452	3.74

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.851
B2	0.000	0.000	-0.851
H3	0.000	1.025	1.486
H4	0.000	-1.025	1.486
H5	1.025	0.000	-1.486
H6	-1.025	0.000	-1.486

	B1	B2	H3	H4	H5	H6
B1		1.7022	1.2053	1.2053	2.5517	2.5517
B2	1.7022		2.5517	2.5517	1.2053	1.2053
H3	1.2053	2.5517		2.0493	3.3062	3.3062
H4	1.2053	2.5517	2.0493		3.3062	3.3062
H5	2.5517	1.2053	3.3062	3.3062		2.0493
H6	2.5517	1.2053	3.3062	3.3062	2.0493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.778	B1	B2	H6	121.778
B2	B1	H3	121.778	B2	B1	H4	121.778
H3	B1	H4	116.443	H5	B2	H6	116.443

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

using model chemistry: HF/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	-0.066
2	B	-0.066
3	H	0.033
4	H	0.033
5	H	0.033
6	H	0.033

<r²>	26.802
(<r²>)^1/2	5.177

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

using model chemistry: HF/CEP-31G

States and conformations

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