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	hartrees
Energy at 0K	-51.968793
Energy at 298.15K	-51.971192
HF Energy	-51.968793
Nuclear repulsion energy	22.392392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2570	2470	0.00
2	A₁	1187	1141	0.00
3	A₁	871	837	0.00
4	B₁	571	548	0.00
5	B₂	2549	2450	55.79
6	B₂	1121	1077	1.09
7	E	2619	2517	70.80
7	E	2619	2517	70.80
8	E	981	943	24.78
8	E	981	943	24.78
9	E	375	360	2.67
9	E	375	360	2.67

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.814
B2	0.000	0.000	-0.814
H3	0.000	1.016	1.451
H4	0.000	-1.016	1.451
H5	1.016	0.000	-1.451
H6	-1.016	0.000	-1.451

	B1	B2	H3	H4	H5	H6
B1		1.6272	1.1994	1.1994	2.4823	2.4823
B2	1.6272		2.4823	2.4823	1.1994	1.1994
H3	1.1994	2.4823		2.0316	3.2387	3.2387
H4	1.1994	2.4823	2.0316		3.2387	3.2387
H5	2.4823	1.1994	3.2387	3.2387		2.0316
H6	2.4823	1.1994	3.2387	3.2387	2.0316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.123	B1	B2	H6	122.123
B2	B1	H3	122.123	B2	B1	H4	122.123
H3	B1	H4	115.755	H5	B2	H6	115.755

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.100
2	B	-0.100
3	H	0.050
4	H	0.050
5	H	0.050
6	H	0.050

<r²>	28.706
(<r²>)^1/2	5.358

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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