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	hartrees
Energy at 0K	-51.920992
Energy at 298.15K	-51.923534
HF Energy	-51.886485
Nuclear repulsion energy	22.270475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2609	2609	0.00
2	A₁	1239	1239	0.00
3	A₁	888	888	0.00
4	B₁	554	554	0.00
5	B₂	2586	2586	82.58
6	B₂	1187	1187	6.14
7	E	2659	2659	96.41
7	E	2659	2659	96.41
8	E	1017	1017	30.35
8	E	1017	1017	30.35
9	E	449	449	2.96
9	E	449	449	2.96

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.822
B2	0.000	0.000	-0.822
H3	0.000	1.016	1.461
H4	0.000	-1.016	1.461
H5	1.016	0.000	-1.461
H6	-1.016	0.000	-1.461

	B1	B2	H3	H4	H5	H6
B1		1.6445	1.2000	1.2000	2.4989	2.4989
B2	1.6445		2.4989	2.4989	1.2000	1.2000
H3	1.2000	2.4989		2.0321	3.2557	3.2557
H4	1.2000	2.4989	2.0321		3.2557	3.2557
H5	2.4989	1.2000	3.2557	3.2557		2.0321
H6	2.4989	1.2000	3.2557	3.2557	2.0321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.144	B1	B2	H6	122.144
B2	B1	H3	122.144	B2	B1	H4	122.144
H3	B1	H4	115.712	H5	B2	H6	115.712

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

using model chemistry: B2PLYP/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	0.072
2	B	0.072
3	H	-0.036
4	H	-0.036
5	H	-0.036
6	H	-0.036

<r²>	28.888
(<r²>)^1/2	5.375

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

using model chemistry: B2PLYP/6-31G

States and conformations

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