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	hartrees
Energy at 0K	-52.058977
Energy at 298.15K	-52.061398
HF Energy	-52.058977
Nuclear repulsion energy	22.406781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2565	2480	0.00
2	A₁	1194	1154	0.00
3	A₁	868	839	0.00
4	B₁	564	545	0.00
5	B₂	2544	2460	60.75
6	B₂	1131	1094	1.98
7	E	2609	2522	81.83
7	E	2609	2522	81.83
8	E	991	958	25.05
8	E	991	958	25.05
9	E	387	374	2.86
9	E	387	374	2.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.814
B2	0.000	0.000	-0.814
H3	0.000	1.014	1.451
H4	0.000	-1.014	1.451
H5	1.014	0.000	-1.451
H6	-1.014	0.000	-1.451

	B1	B2	H3	H4	H5	H6
B1		1.6286	1.1969	1.1969	2.4814	2.4814
B2	1.6286		2.4814	2.4814	1.1969	1.1969
H3	1.1969	2.4814		2.0275	3.2361	3.2361
H4	1.1969	2.4814	2.0275		3.2361	3.2361
H5	2.4814	1.1969	3.2361	3.2361		2.0275
H6	2.4814	1.1969	3.2361	3.2361	2.0275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.116	B1	B2	H6	122.116
B2	B1	H3	122.116	B2	B1	H4	122.116
H3	B1	H4	115.769	H5	B2	H6	115.769

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

using model chemistry: B3LYP/6-311G**

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	0.001
2	B	0.001
3	H	-0.000
4	H	-0.000
5	H	-0.000
6	H	-0.000

<r²>	28.777
(<r²>)^1/2	5.364

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

using model chemistry: B3LYP/6-311G**

States and conformations

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