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	hartrees
Energy at 0K	-52.004175
Energy at 298.15K	-52.006601
HF Energy	-52.004175
Nuclear repulsion energy	22.291509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2639	2512	0.00
2	A₁	1230	1171	0.00
3	A₁	876	835	0.00
4	B₁	518	493	0.00
5	B₂	2617	2491	86.72
6	B₂	1160	1105	9.54
7	E	2686	2558	101.29
7	E	2686	2558	101.29
8	E	1000	953	25.76
8	E	1000	953	25.76
9	E	404	385	5.36
9	E	404	385	5.36

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.823
B2	0.000	0.000	-0.823
H3	0.000	1.016	1.456
H4	0.000	-1.016	1.456
H5	1.016	0.000	-1.456
H6	-1.016	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6467	1.1968	1.1968	2.4953	2.4953
B2	1.6467		2.4953	2.4953	1.1968	1.1968
H3	1.1968	2.4953		2.0320	3.2468	3.2468
H4	1.1968	2.4953	2.0320		3.2468	3.2468
H5	2.4953	1.1968	3.2468	3.2468		2.0320
H6	2.4953	1.1968	3.2468	3.2468	2.0320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.902	B1	B2	H6	121.902
B2	B1	H3	121.902	B2	B1	H4	121.902
H3	B1	H4	116.195	H5	B2	H6	116.195

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

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

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	0.010
2	B	0.010
3	H	-0.005
4	H	-0.005
5	H	-0.005
6	H	-0.005

<r²>	29.013
(<r²>)^1/2	5.386

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

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

States and conformations

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