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	hartrees
Energy at 0K	-52.024783
Energy at 298.15K	-52.027152
HF Energy	-52.024783
Nuclear repulsion energy	22.297606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2506	2468	0.00
2	A₁	1161	1144	0.00
3	A₁	857	843	0.00
4	B₁	568	559	0.00
5	B₂	2485	2447	62.38
6	B₂	1098	1082	0.91
7	E	2546	2507	82.14
7	E	2546	2507	82.14
8	E	967	952	22.20
8	E	967	952	22.20
9	E	368	363	3.11
9	E	368	363	3.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.816
B2	0.000	0.000	-0.816
H3	0.000	1.019	1.461
H4	0.000	-1.019	1.461
H5	1.019	0.000	-1.461
H6	-1.019	0.000	-1.461

	B1	B2	H3	H4	H5	H6
B1		1.6322	1.2055	1.2055	2.4942	2.4942
B2	1.6322		2.4942	2.4942	1.2055	1.2055
H3	1.2055	2.4942		2.0373	3.2572	3.2572
H4	1.2055	2.4942	2.0373		3.2572	3.2572
H5	2.4942	1.2055	3.2572	3.2572		2.0373
H6	2.4942	1.2055	3.2572	3.2572	2.0373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.324	B1	B2	H6	122.324
B2	B1	H3	122.324	B2	B1	H4	122.324
H3	B1	H4	115.352	H5	B2	H6	115.352

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

using model chemistry: B97D3/aug-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	-0.057
2	B	-0.057
3	H	0.028
4	H	0.028
5	H	0.028
6	H	0.028

<r²>	28.965
(<r²>)^1/2	5.382

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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