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	hartrees
Energy at 0K	-51.395677
Energy at 298.15K	-51.398197
HF Energy	-51.395677
Nuclear repulsion energy	22.547996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2872	2872	0.00
2	A₁	1346	1346	0.00
3	A₁	963	963	0.00
4	B₁	599	599	0.00
5	B₂	2852	2852	1.34
6	B₂	1290	1290	9.33
7	E	2976	2976	1.71
7	E	2976	2976	1.71
8	E	1066	1066	50.91
8	E	1066	1066	50.91
9	E	506	506	2.01
9	E	506	506	2.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.811
B2	0.000	0.000	-0.811
H3	0.000	1.006	1.441
H4	0.000	-1.006	1.441
H5	1.006	0.000	-1.441
H6	-1.006	0.000	-1.441

	B1	B2	H3	H4	H5	H6
B1		1.6221	1.1869	1.1869	2.4665	2.4665
B2	1.6221		2.4665	2.4665	1.1869	1.1869
H3	1.1869	2.4665		2.0120	3.2140	3.2140
H4	1.1869	2.4665	2.0120		3.2140	3.2140
H5	2.4665	1.1869	3.2140	3.2140		2.0120
H6	2.4665	1.1869	3.2140	3.2140	2.0120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.053	B1	B2	H6	122.053
B2	B1	H3	122.053	B2	B1	H4	122.053
H3	B1	H4	115.893	H5	B2	H6	115.893

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

using model chemistry: B97D3/STO-3G

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	0.078
2	B	0.078
3	H	-0.039
4	H	-0.039
5	H	-0.039
6	H	-0.039

<r²>	27.410
(<r²>)^1/2	5.235

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

using model chemistry: B97D3/STO-3G

States and conformations

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