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	hartrees
Energy at 0K	-51.864120
Energy at 298.15K	-51.866590
HF Energy	-51.646225
Nuclear repulsion energy	22.152231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1224	1181
2	A₁	853	823
3	B₁	514	496
4	B₂	1163	1122
5	E	2622	2529
6	E	2622	2529
7	E	2569	2479
7	E	2550	2460
8	E	1005	969
8	E	1005	969
9	E	428	413
9	E	427	412

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.830
B2	0.000	0.000	-0.830
H3	0.000	1.020	1.465
H4	0.000	-1.020	1.465
H5	1.020	0.000	-1.465
H6	-1.020	0.000	-1.465

	B1	B2	H3	H4	H5	H6
B1		1.6609	1.2015	1.2015	2.5122	2.5122
B2	1.6609		2.5122	2.5122	1.2015	1.2015
H3	1.2015	2.5122		2.0402	3.2664	3.2664
H4	1.2015	2.5122	2.0402		3.2664	3.2664
H5	2.5122	1.2015	3.2664	3.2664		2.0402
H6	2.5122	1.2015	3.2664	3.2664	2.0402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.895	B1	B2	H6	121.895
B2	B1	H3	121.895	B2	B1	H4	121.895
H3	B1	H4	116.210	H5	B2	H6	116.210

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

using model chemistry: CCSD(T)/6-311G**

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

using model chemistry: CCSD(T)/6-311G**

States and conformations

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