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	hartrees
Energy at 0K	-51.956819
Energy at 298.15K	-51.959226
HF Energy	-51.956819
Nuclear repulsion energy	22.289318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2587	2470	0.00
2	A₁	1197	1142	0.00
3	A₁	873	833	0.00
4	B₁	559	534	0.00
5	B₂	2564	2448	74.56
6	B₂	1127	1076	2.07
7	E	2636	2517	89.54
7	E	2636	2517	89.54
8	E	983	939	25.16
8	E	983	939	25.16
9	E	387	370	2.11
9	E	387	370	2.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.018	1.459
H4	0.000	-1.018	1.459
H5	1.018	0.000	-1.459
H6	-1.018	0.000	-1.459

	B1	B2	H3	H4	H5	H6
B1		1.6380	1.2025	1.2025	2.4953	2.4953
B2	1.6380		2.4953	2.4953	1.2025	1.2025
H3	1.2025	2.4953		2.0359	3.2541	3.2541
H4	1.2025	2.4953	2.0359		3.2541	3.2541
H5	2.4953	1.2025	3.2541	3.2541		2.0359
H6	2.4953	1.2025	3.2541	3.2541	2.0359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.164	B1	B2	H6	122.164
B2	B1	H3	122.164	B2	B1	H4	122.164
H3	B1	H4	115.671	H5	B2	H6	115.671

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

using model chemistry: HSEh1PBE/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	-0.016
2	B	-0.016
3	H	0.008
4	H	0.008
5	H	0.008
6	H	0.008

<r²>	28.918
(<r²>)^1/2	5.378

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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