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	hartrees
Energy at 0K	-52.003054
Energy at 298.15K	-52.005462
HF Energy	-52.003054
Nuclear repulsion energy	22.339039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2641	2515	0.00
2	A₁	1227	1168	0.00
3	A₁	875	834	0.00
4	B₁	522	497	0.00
5	B₂	2620	2495	65.23
6	B₂	1160	1105	8.69
7	E	2693	2565	71.98
7	E	2693	2565	71.98
8	E	1005	957	28.34
8	E	1005	957	28.34
9	E	392	373	4.73
9	E	392	373	4.73

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.821
B2	0.000	0.000	-0.821
H3	0.000	1.014	1.453
H4	0.000	-1.014	1.453
H5	1.014	0.000	-1.453
H6	-1.014	0.000	-1.453

	B1	B2	H3	H4	H5	H6
B1		1.6427	1.1945	1.1945	2.4902	2.4902
B2	1.6427		2.4902	2.4902	1.1945	1.1945
H3	1.1945	2.4902		2.0274	3.2406	3.2406
H4	1.1945	2.4902	2.0274		3.2406	3.2406
H5	2.4902	1.1945	3.2406	3.2406		2.0274
H6	2.4902	1.1945	3.2406	3.2406	2.0274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.932	B1	B2	H6	121.932
B2	B1	H3	121.932	B2	B1	H4	121.932
H3	B1	H4	116.136	H5	B2	H6	116.136

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

using model chemistry: M06-2X/6-31G(2df,p)

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	0.007
2	B	0.007
3	H	-0.004
4	H	-0.004
5	H	-0.004
6	H	-0.004

<r²>	28.617
(<r²>)^1/2	5.349

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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