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	hartrees
Energy at 0K	-51.888972
Energy at 298.15K	-51.891442
HF Energy	-51.650107
Nuclear repulsion energy	22.359980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2631	2481	0.00
2	A₁	1235	1164	0.00
3	A₁	868	819	0.00
4	B₁	536	505	0.00
5	B₂	2612	2463	74.30
6	B₂	1174	1107	10.93
7	E	2689	2535	86.45
7	E	2689	2535	86.45
8	E	1015	957	28.35
8	E	1015	957	28.35
9	E	413	389	6.29
9	E	413	389	6.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.822
B2	0.000	0.000	-0.822
H3	0.000	1.013	1.450
H4	0.000	-1.013	1.450
H5	1.013	0.000	-1.450
H6	-1.013	0.000	-1.450

	B1	B2	H3	H4	H5	H6
B1		1.6446	1.1913	1.1913	2.4876	2.4876
B2	1.6446		2.4876	2.4876	1.1913	1.1913
H3	1.1913	2.4876		2.0252	3.2340	3.2340
H4	1.1913	2.4876	2.0252		3.2340	3.2340
H5	2.4876	1.1913	3.2340	3.2340		2.0252
H6	2.4876	1.1913	3.2340	3.2340	2.0252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.789	B1	B2	H6	121.789
B2	B1	H3	121.789	B2	B1	H4	121.789
H3	B1	H4	116.422	H5	B2	H6	116.422

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

States and conformations

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