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	hartrees
Energy at 0K	-51.922358
Energy at 298.15K	-51.924831
HF Energy	-51.650171
Nuclear repulsion energy	22.320403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2614	2614	0.00
2	A₁	1230	1230	0.00
3	A₁	865	865	0.00
4	B₁	525	525	0.00
5	B₂	2595	2595	76.59
6	B₂	1170	1170	12.41
7	E	2670	2670	88.53
7	E	2670	2670	88.53
8	E	1013	1013	26.92
8	E	1013	1013	26.92
9	E	420	420	6.62
9	E	420	420	6.62

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.824
B2	0.000	0.000	-0.824
H3	0.000	1.014	1.453
H4	0.000	-1.014	1.453
H5	1.014	0.000	-1.453
H6	-1.014	0.000	-1.453

	B1	B2	H3	H4	H5	H6
B1		1.6479	1.1931	1.1931	2.4924	2.4924
B2	1.6479		2.4924	2.4924	1.1931	1.1931
H3	1.1931	2.4924		2.0276	3.2403	3.2403
H4	1.1931	2.4924	2.0276		3.2403	3.2403
H5	2.4924	1.1931	3.2403	3.2403		2.0276
H6	2.4924	1.1931	3.2403	3.2403	2.0276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.816	B1	B2	H6	121.816
B2	B1	H3	121.816	B2	B1	H4	121.816
H3	B1	H4	116.367	H5	B2	H6	116.367

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

using model chemistry: MP3=FULL/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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

States and conformations

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