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	hartrees
Energy at 0K	-51.641913
Energy at 298.15K	-51.644449
HF Energy	-51.607370
Nuclear repulsion energy	22.307127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2627	2627	0.00
2	A₁	1235	1235	0.00
3	A₁	894	894	0.00
4	B₁	565	565	0.00
5	B₂	2607	2607	58.31
6	B₂	1187	1187	3.90
7	E	2679	2679	64.26
7	E	2679	2679	64.26
8	E	1010	1010	30.89
8	E	1010	1010	30.89
9	E	443	443	1.07
9	E	443	443	1.07

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.017	1.457
H4	0.000	-1.017	1.457
H5	1.017	0.000	-1.457
H6	-1.017	0.000	-1.457

	B1	B2	H3	H4	H5	H6
B1		1.6388	1.2002	1.2002	2.4933	2.4933
B2	1.6388		2.4933	2.4933	1.2002	1.2002
H3	1.2002	2.4933		2.0335	3.2498	3.2498
H4	1.2002	2.4933	2.0335		3.2498	3.2498
H5	2.4933	1.2002	3.2498	3.2498		2.0335
H6	2.4933	1.2002	3.2498	3.2498	2.0335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.100	B1	B2	H6	122.100
B2	B1	H3	122.100	B2	B1	H4	122.100
H3	B1	H4	115.801	H5	B2	H6	115.801

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

using model chemistry: B2PLYP/3-21G*

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	-0.044
2	B	-0.044
3	H	0.022
4	H	0.022
5	H	0.022
6	H	0.022

<r²>	29.012
(<r²>)^1/2	5.386

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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