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	hartrees
Energy at 0K	-51.704694
Energy at 298.15K	-51.707132
HF Energy	-51.704694
Nuclear repulsion energy	22.367656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2680	2539	0.00
2	A₁	1232	1167	0.00
3	A₁	900	853	0.00
4	B₁	535	507	0.00
5	B₂	2660	2519	58.17
6	B₂	1177	1115	5.09
7	E	2725	2581	59.03
7	E	2725	2581	59.03
8	E	998	945	29.93
8	E	998	945	29.93
9	E	402	381	0.77
9	E	402	381	0.77

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.818
B2	0.000	0.000	-0.818
H3	0.000	1.015	1.451
H4	0.000	-1.015	1.451
H5	1.015	0.000	-1.451
H6	-1.015	0.000	-1.451

	B1	B2	H3	H4	H5	H6
B1		1.6360	1.1962	1.1962	2.4855	2.4855
B2	1.6360		2.4855	2.4855	1.1962	1.1962
H3	1.1962	2.4855		2.0303	3.2372	3.2372
H4	1.1962	2.4855	2.0303		3.2372	3.2372
H5	2.4855	1.1962	3.2372	3.2372		2.0303
H6	2.4855	1.1962	3.2372	3.2372	2.0303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.934	B1	B2	H6	121.934
B2	B1	H3	121.934	B2	B1	H4	121.934
H3	B1	H4	116.132	H5	B2	H6	116.132

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

using model chemistry: M06-2X/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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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	-0.078
2	B	-0.078
3	H	0.039
4	H	0.039
5	H	0.039
6	H	0.039

<r²>	28.788
(<r²>)^1/2	5.365

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

using model chemistry: M06-2X/3-21G*

States and conformations

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