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	hartrees
Energy at 0K	-51.846278
Energy at 298.15K	-51.848737
HF Energy	-51.636904
Nuclear repulsion energy	21.925288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1219	1219
2	A₁	854	854
3	B₁	500	500
4	B₂	1154	1154
5	E	2631	2631
6	E	2631	2631
7	E	2575	2575
7	E	2555	2555
8	E	1001	1001
8	E	1001	1001
9	E	430	430
9	E	429	429

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.838
B2	0.000	0.000	-0.838
H3	0.000	1.032	1.480
H4	0.000	-1.032	1.480
H5	1.032	0.000	-1.480
H6	-1.032	0.000	-1.480

	B1	B2	H3	H4	H5	H6
B1		1.6762	1.2154	1.2154	2.5372	2.5372
B2	1.6762		2.5372	2.5372	1.2154	1.2154
H3	1.2154	2.5372		2.0646	3.2997	3.2997
H4	1.2154	2.5372	2.0646		3.2997	3.2997
H5	2.5372	1.2154	3.2997	3.2997		2.0646
H6	2.5372	1.2154	3.2997	3.2997	2.0646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.858	B1	B2	H6	121.858
B2	B1	H3	121.858	B2	B1	H4	121.858
H3	B1	H4	116.284	H5	B2	H6	116.284

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

using model chemistry: QCISD(TQ)/cc-pVDZ

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: QCISD(TQ)/cc-pVDZ

States and conformations

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