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	hartrees
Energy at 0K	-51.820782
Energy at 298.15K	-51.823291
HF Energy	-51.634286
Nuclear repulsion energy	22.209434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1246	1198
2	A₁	881	847
3	B₁	530	509
4	B₂	1185	1140
5	E	2679	2577
6	E	2679	2576
7	E	2622	2521
7	E	2603	2503
8	E	1019	980
8	E	1019	980
9	E	446	429
9	E	445	428

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.825
B2	0.000	0.000	-0.825
H3	0.000	1.019	1.464
H4	0.000	-1.019	1.464
H5	1.019	0.000	-1.464
H6	-1.019	0.000	-1.464

	B1	B2	H3	H4	H5	H6
B1		1.6508	1.2021	1.2021	2.5055	2.5055
B2	1.6508		2.5055	2.5055	1.2021	1.2021
H3	1.2021	2.5055		2.0375	3.2625	3.2625
H4	1.2021	2.5055	2.0375		3.2625	3.2625
H5	2.5055	1.2021	3.2625	3.2625		2.0375
H6	2.5055	1.2021	3.2625	3.2625	2.0375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.066	B1	B2	H6	122.066
B2	B1	H3	122.066	B2	B1	H4	122.066
H3	B1	H4	115.868	H5	B2	H6	115.868

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

using model chemistry: MP4=FULL/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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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: MP4=FULL/6-31G*

States and conformations

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