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	hartrees
Energy at 0K	-51.983551
Energy at 298.15K	-51.985946
HF Energy	-51.983551
Nuclear repulsion energy	22.314668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2599	2467	0.00
2	A₁	1209	1148	0.00
3	A₁	877	832	0.00
4	B₁	559	531	0.00
5	B₂	2577	2447	68.42
6	B₂	1140	1083	3.75
7	E	2647	2513	80.38
7	E	2647	2513	80.38
8	E	982	932	27.80
8	E	982	932	27.80
9	E	386	367	1.86
9	E	386	367	1.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.818
B2	0.000	0.000	-0.818
H3	0.000	1.016	1.459
H4	0.000	-1.016	1.459
H5	1.016	0.000	-1.459
H6	-1.016	0.000	-1.459

	B1	B2	H3	H4	H5	H6
B1		1.6353	1.2015	1.2015	2.4934	2.4934
B2	1.6353		2.4934	2.4934	1.2015	1.2015
H3	1.2015	2.4934		2.0315	3.2532	3.2532
H4	1.2015	2.4934	2.0315		3.2532	3.2532
H5	2.4934	1.2015	3.2532	3.2532		2.0315
H6	2.4934	1.2015	3.2532	3.2532	2.0315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.286	B1	B2	H6	122.286
B2	B1	H3	122.286	B2	B1	H4	122.286
H3	B1	H4	115.428	H5	B2	H6	115.428

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

using model chemistry: B1B95/6-31G*

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	-0.022
2	B	-0.022
3	H	0.011
4	H	0.011
5	H	0.011
6	H	0.011

<r²>	28.581
(<r²>)^1/2	5.346

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

using model chemistry: B1B95/6-31G*

States and conformations

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