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	hartrees
Energy at 0K	-51.672047
Energy at 298.15K	-51.674195
HF Energy	-51.672047
Nuclear repulsion energy	22.515163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2498	2457	0.00
2	A₁	1129	1110	0.00
3	A₁	884	870	0.00
4	B₁	617	607	0.00
5	B₂	2476	2436	22.31
6	B₂	1033	1017	4.80
7	E	2547	2505	40.95
7	E	2547	2505	40.95
8	E	916	901	17.85
8	E	916	901	17.85
9	E	277	273	0.01
9	E	277	273	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.796
B2	0.000	0.000	-0.796
H3	0.000	1.019	1.450
H4	0.000	-1.019	1.450
H5	1.019	0.000	-1.450
H6	-1.019	0.000	-1.450

	B1	B2	H3	H4	H5	H6
B1		1.5926	1.2104	1.2104	2.4665	2.4665
B2	1.5926		2.4665	2.4665	1.2104	1.2104
H3	1.2104	2.4665		2.0371	3.2382	3.2382
H4	1.2104	2.4665	2.0371		3.2382	3.2382
H5	2.4665	1.2104	3.2382	3.2382		2.0371
H6	2.4665	1.2104	3.2382	3.2382	2.0371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.697	B1	B2	H6	122.697
B2	B1	H3	122.697	B2	B1	H4	122.697
H3	B1	H4	114.607	H5	B2	H6	114.607

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	B	-0.239
2	B	-0.239
3	H	0.119
4	H	0.119
5	H	0.119
6	H	0.119

<r²>	28.452
(<r²>)^1/2	5.334

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

using model chemistry: LSDA/6-311G*

States and conformations

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