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	hartrees
Energy at 0K	-51.930277
Energy at 298.15K	-51.932581
HF Energy	-51.930277
Nuclear repulsion energy	22.253774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2521	2493	0.00
2	A₁	1150	1137	0.00
3	A₁	869	859	0.00
4	B₁	578	571	0.00
5	B₂	2500	2472	59.07
6	B₂	1077	1064	0.03
7	E	2566	2537	75.06
7	E	2566	2537	75.06
8	E	950	939	20.68
8	E	950	939	20.68
9	E	345	341	0.68
9	E	345	341	0.68

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.815
B2	0.000	0.000	-0.815
H3	0.000	1.021	1.466
H4	0.000	-1.021	1.466
H5	1.021	0.000	-1.466
H6	-1.021	0.000	-1.466

	B1	B2	H3	H4	H5	H6
B1		1.6304	1.2110	1.2110	2.4993	2.4993
B2	1.6304		2.4993	2.4993	1.2110	1.2110
H3	1.2110	2.4993		2.0429	3.2682	3.2682
H4	1.2110	2.4993	2.0429		3.2682	3.2682
H5	2.4993	1.2110	3.2682	3.2682		2.0429
H6	2.4993	1.2110	3.2682	3.2682	2.0429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.494	B1	B2	H6	122.494
B2	B1	H3	122.494	B2	B1	H4	122.494
H3	B1	H4	115.013	H5	B2	H6	115.013

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

using model chemistry: PBEPBE/6-31+G**

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	-0.046
2	B	-0.046
3	H	0.023
4	H	0.023
5	H	0.023
6	H	0.023

<r²>	29.001
(<r²>)^1/2	5.385

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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