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	hartrees
Energy at 0K	-52.021609
Energy at 298.15K	-52.024078
HF Energy	-52.021609
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2584	2584	0.00
2	A₁	1222	1222	0.00
3	A₁	865	865	0.00
4	B₁	538	538	0.00
5	B₂	2561	2561	82.51
6	B₂	1157	1157	6.44
7	E	2639	2639	86.89
7	E	2639	2639	86.89
8	E	996	996	30.29
8	E	996	996	30.29
9	E	425	425	2.83
9	E	425	425	2.83

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.824
B2	0.000	0.000	-0.824
H3	0.000	1.018	1.460
H4	0.000	-1.018	1.460
H5	1.018	0.000	-1.460
H6	-1.018	0.000	-1.460

	B1	B2	H3	H4	H5	H6
B1		1.6481	1.2008	1.2008	2.5012	2.5012
B2	1.6481		2.5012	2.5012	1.2008	1.2008
H3	1.2008	2.5012		2.0366	3.2567	3.2567
H4	1.2008	2.5012	2.0366		3.2567	3.2567
H5	2.5012	1.2008	3.2567	3.2567		2.0366
H6	2.5012	1.2008	3.2567	3.2567	2.0366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.004	B1	B2	H6	122.004
B2	B1	H3	122.004	B2	B1	H4	122.004
H3	B1	H4	115.992	H5	B2	H6	115.992

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

using model chemistry: wB97X-D/6-31G**

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	0.044
2	B	0.044
3	H	-0.022
4	H	-0.022
5	H	-0.022
6	H	-0.022

<r²>	28.773
(<r²>)^1/2	5.364

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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