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	hartrees
Energy at 0K	-51.951568
Energy at 298.15K	-51.953932
HF Energy	-51.951568
Nuclear repulsion energy	22.192933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2575	2477	0.00
2	A₁	1176	1131	0.00
3	A₁	872	839	0.00
4	B₁	558	537	0.00
5	B₂	2552	2455	64.70
6	B₂	1100	1058	1.13
7	E	2631	2531	78.90
7	E	2631	2531	78.90
8	E	973	936	22.93
8	E	973	936	22.93
9	E	367	353	1.53
9	E	367	353	1.53

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.027	1.463
H4	0.000	-1.027	1.463
H5	1.027	0.000	-1.463
H6	-1.027	0.000	-1.463

	B1	B2	H3	H4	H5	H6
B1		1.6388	1.2124	1.2124	2.5032	2.5032
B2	1.6388		2.5032	2.5032	1.2124	1.2124
H3	1.2124	2.5032		2.0547	3.2673	3.2673
H4	1.2124	2.5032	2.0547		3.2673	3.2673
H5	2.5032	1.2124	3.2673	3.2673		2.0547
H6	2.5032	1.2124	3.2673	3.2673	2.0547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.076	B1	B2	H6	122.076
B2	B1	H3	122.076	B2	B1	H4	122.076
H3	B1	H4	115.848	H5	B2	H6	115.848

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	B	-0.014
2	B	-0.014
3	H	0.007
4	H	0.007
5	H	0.007
6	H	0.007

<r²>	28.931
(<r²>)^1/2	5.379

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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