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	hartrees
Energy at 0K	-51.035028
Energy at 298.15K	-51.037473
HF Energy	-51.035028
Nuclear repulsion energy	22.852268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2914	2610	0.00
2	A₁	1315	1177	0.00
3	A₁	996	892	0.00
4	B₁	660	591	0.00
5	B₂	2890	2588	22.11
6	B₂	1252	1121	0.27
7	E	3018	2703	1.30
7	E	3018	2703	1.30
8	E	1039	930	41.87
8	E	1039	930	41.87
9	E	445	398	0.21
9	E	445	398	0.21

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.793
B2	0.000	0.000	-0.793
H3	0.000	0.999	1.423
H4	0.000	-0.999	1.423
H5	0.999	0.000	-1.423
H6	-0.999	0.000	-1.423

	B1	B2	H3	H4	H5	H6
B1		1.5855	1.1814	1.1814	2.4305	2.4305
B2	1.5855		2.4305	2.4305	1.1814	1.1814
H3	1.1814	2.4305		1.9989	3.1772	3.1772
H4	1.1814	2.4305	1.9989		3.1772	3.1772
H5	2.4305	1.1814	3.1772	3.1772		1.9989
H6	2.4305	1.1814	3.1772	3.1772	1.9989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.224	B1	B2	H6	122.224
B2	B1	H3	122.224	B2	B1	H4	122.224
H3	B1	H4	115.553	H5	B2	H6	115.553

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

using model chemistry: LSDA/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	-0.002
2	B	-0.002
3	H	0.001
4	H	0.001
5	H	0.001
6	H	0.001

<r²>	26.567
(<r²>)^1/2	5.154

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

using model chemistry: LSDA/STO-3G

States and conformations

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