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	hartrees
Energy at 0K	-51.650369
Energy at 298.15K	-51.652958
HF Energy	-51.650369
Nuclear repulsion energy	22.172764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2652	2410	0.00
2	A₁	1308	1188	0.00
3	A₁	861	783	0.00
4	B₁	490	445	0.00
5	B₂	2627	2387	124.46
6	B₂	1251	1137	28.89
7	E	2692	2446	141.60
7	E	2692	2446	141.60
8	E	1066	969	32.35
8	E	1066	969	32.35
9	E	487	442	12.17
9	E	487	442	12.17

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.836
B2	0.000	0.000	-0.836
H3	0.000	1.015	1.462
H4	0.000	-1.015	1.462
H5	1.015	0.000	-1.462
H6	-1.015	0.000	-1.462

	B1	B2	H3	H4	H5	H6
B1		1.6714	1.1927	1.1927	2.5122	2.5122
B2	1.6714		2.5122	2.5122	1.1927	1.1927
H3	1.1927	2.5122		2.0294	3.2580	3.2580
H4	1.1927	2.5122	2.0294		3.2580	3.2580
H5	2.5122	1.1927	3.2580	3.2580		2.0294
H6	2.5122	1.1927	3.2580	3.2580	2.0294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.703	B1	B2	H6	121.703
B2	B1	H3	121.703	B2	B1	H4	121.703
H3	B1	H4	116.593	H5	B2	H6	116.593

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.224
2	B	-0.224
3	H	0.112
4	H	0.112
5	H	0.112
6	H	0.112

<r²>	29.405
(<r²>)^1/2	5.423

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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