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	hartrees
Energy at 0K	-51.898935
Energy at 298.15K	-51.901412
HF Energy	-51.646247
Nuclear repulsion energy	22.175344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1227	1179
2	A₁	856	823
3	B₁	519	499
4	B₂	1166	1121
5	E	2637	2535
6	E	2637	2535
7	E	2582	2482
7	E	2563	2464
8	E	1008	970
8	E	1008	970
9	E	428	412
9	E	427	411

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.830
B2	0.000	0.000	-0.830
H3	0.000	1.019	1.463
H4	0.000	-1.019	1.463
H5	1.019	0.000	-1.463
H6	-1.019	0.000	-1.463

	B1	B2	H3	H4	H5	H6
B1		1.6597	1.2000	1.2000	2.5095	2.5095
B2	1.6597		2.5095	2.5095	1.2000	1.2000
H3	1.2000	2.5095		2.0382	3.2624	3.2624
H4	1.2000	2.5095	2.0382		3.2624	3.2624
H5	2.5095	1.2000	3.2624	3.2624		2.0382
H6	2.5095	1.2000	3.2624	3.2624	2.0382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.868	B1	B2	H6	121.868
B2	B1	H3	121.868	B2	B1	H4	121.868
H3	B1	H4	116.265	H5	B2	H6	116.265

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

using model chemistry: MP4=FULL/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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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: MP4=FULL/6-311G**

States and conformations

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