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	hartrees
Energy at 0K	-51.720110
Energy at 298.15K	-51.722581
HF Energy	-51.720110
Nuclear repulsion energy	22.327997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2593	2492	0.00
2	A₁	1201	1154	0.00
3	A₁	896	861	0.00
4	B₁	579	556	0.00
5	B₂	2571	2471	50.44
6	B₂	1147	1102	0.41
7	E	2644	2542	56.07
7	E	2644	2542	56.07
8	E	978	940	28.74
8	E	978	940	28.74
9	E	409	393	0.19
9	E	409	393	0.19

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.815
B2	0.000	0.000	-0.815
H3	0.000	1.019	1.458
H4	0.000	-1.019	1.458
H5	1.019	0.000	-1.458
H6	-1.019	0.000	-1.458

	B1	B2	H3	H4	H5	H6
B1		1.6290	1.2046	1.2046	2.4899	2.4899
B2	1.6290		2.4899	2.4899	1.2046	1.2046
H3	1.2046	2.4899		2.0372	3.2516	3.2516
H4	1.2046	2.4899	2.0372		3.2516	3.2516
H5	2.4899	1.2046	3.2516	3.2516		2.0372
H6	2.4899	1.2046	3.2516	3.2516	2.0372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.262	B1	B2	H6	122.262
B2	B1	H3	122.262	B2	B1	H4	122.262
H3	B1	H4	115.476	H5	B2	H6	115.476

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

using model chemistry: B3PW91/3-21G

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	-0.086
2	B	-0.086
3	H	0.043
4	H	0.043
5	H	0.043
6	H	0.043

<r²>	28.814
(<r²>)^1/2	5.368

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

using model chemistry: B3PW91/3-21G

States and conformations

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