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	hartrees
Energy at 0K	-51.652913
Energy at 298.15K	-51.655497
HF Energy	-51.652913
Nuclear repulsion energy	22.165866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2655	2407	0.00
2	A₁	1309	1186	0.00
3	A₁	862	781	0.00
4	B₁	490	444	0.00
5	B₂	2631	2384	126.34
6	B₂	1251	1134	28.61
7	E	2696	2443	141.99
7	E	2696	2443	141.99
8	E	1066	966	33.03
8	E	1066	966	33.03
9	E	486	441	11.99
9	E	486	441	11.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.836
B2	0.000	0.000	-0.836
H3	0.000	1.015	1.463
H4	0.000	-1.015	1.463
H5	1.015	0.000	-1.463
H6	-1.015	0.000	-1.463

	B1	B2	H3	H4	H5	H6
B1		1.6715	1.1933	1.1933	2.5131	2.5131
B2	1.6715		2.5131	2.5131	1.1933	1.1933
H3	1.1933	2.5131		2.0300	3.2597	3.2597
H4	1.1933	2.5131	2.0300		3.2597	3.2597
H5	2.5131	1.1933	3.2597	3.2597		2.0300
H6	2.5131	1.1933	3.2597	3.2597	2.0300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.729	B1	B2	H6	121.729
B2	B1	H3	121.729	B2	B1	H4	121.729
H3	B1	H4	116.542	H5	B2	H6	116.542

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

using model chemistry: HF/Def2TZVPP

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	0.052
2	B	0.052
3	H	-0.026
4	H	-0.026
5	H	-0.026
6	H	-0.026

<r²>	29.410
(<r²>)^1/2	5.423

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

using model chemistry: HF/Def2TZVPP

States and conformations

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