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	hartrees
Energy at 0K	-52.001799
Energy at 298.15K	-52.004226
HF Energy	-52.001799
Nuclear repulsion energy	22.297584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2650	2519	0.00
2	A₁	1238	1177	0.00
3	A₁	879	835	0.00
4	B₁	515	490	0.00
5	B₂	2629	2498	74.55
6	B₂	1169	1111	10.21
7	E	2701	2567	82.42
7	E	2701	2567	82.42
8	E	1005	955	28.03
8	E	1005	955	28.03
9	E	406	386	4.31
9	E	406	386	4.31

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.823
B2	0.000	0.000	-0.823
H3	0.000	1.015	1.456
H4	0.000	-1.015	1.456
H5	1.015	0.000	-1.456
H6	-1.015	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6469	1.1959	1.1959	2.4952	2.4952
B2	1.6469		2.4952	2.4952	1.1959	1.1959
H3	1.1959	2.4952		2.0300	3.2464	3.2464
H4	1.1959	2.4952	2.0300		3.2464	3.2464
H5	2.4952	1.1959	3.2464	3.2464		2.0300
H6	2.4952	1.1959	3.2464	3.2464	2.0300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.927	B1	B2	H6	121.927
B2	B1	H3	121.927	B2	B1	H4	121.927
H3	B1	H4	116.146	H5	B2	H6	116.146

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

using model chemistry: M06-2X/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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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	0.054
2	B	0.054
3	H	-0.027
4	H	-0.027
5	H	-0.027
6	H	-0.027

<r²>	28.715
(<r²>)^1/2	5.359

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

using model chemistry: M06-2X/6-31G**

States and conformations

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