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	hartrees
Energy at 0K	-51.993005
Energy at 298.15K	-51.995381
HF Energy	-51.993005
Nuclear repulsion energy	22.265416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2534	2514	0.00
2	A₁	1179	1170	0.00
3	A₁	867	860	0.00
4	B₁	565	560	0.00
5	B₂	2513	2494	55.22
6	B₂	1112	1104	0.72
7	E	2573	2553	72.65
7	E	2573	2553	72.65
8	E	977	970	25.62
8	E	977	970	25.62
9	E	376	373	1.21
9	E	376	373	1.21

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.818
B2	0.000	0.000	-0.818
H3	0.000	1.018	1.465
H4	0.000	-1.018	1.465
H5	1.018	0.000	-1.465
H6	-1.018	0.000	-1.465

	B1	B2	H3	H4	H5	H6
B1		1.6352	1.2064	1.2064	2.4996	2.4996
B2	1.6352		2.4996	2.4996	1.2064	1.2064
H3	1.2064	2.4996		2.0355	3.2651	3.2651
H4	1.2064	2.4996	2.0355		3.2651	3.2651
H5	2.4996	1.2064	3.2651	3.2651		2.0355
H6	2.4996	1.2064	3.2651	3.2651	2.0355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.475	B1	B2	H6	122.475
B2	B1	H3	122.475	B2	B1	H4	122.475
H3	B1	H4	115.049	H5	B2	H6	115.049

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

using model chemistry: BLYP/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	0.059
2	B	0.059
3	H	-0.030
4	H	-0.030
5	H	-0.030
6	H	-0.030

<r²>	28.656
(<r²>)^1/2	5.353

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

using model chemistry: BLYP/6-31G**

States and conformations

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