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	hartrees
Energy at 0K	-7.929282
Energy at 298.15K	-7.931728
HF Energy	-7.929282
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2590	2590	0.00
2	A₁	1208	1208	0.00
3	A₁	853	853	0.00
4	B₁	531	531	0.00
5	B₂	2568	2568	91.45
6	B₂	1141	1141	6.18
7	E	2645	2645	120.78
7	E	2645	2645	120.78
8	E	999	999	24.31
8	E	999	999	24.31
9	E	417	417	3.49
9	E	417	417	3.49

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.827
B2	0.000	0.000	-0.827
H3	0.000	1.020	1.464
H4	0.000	-1.020	1.464
H5	1.020	0.000	-1.464
H6	-1.020	0.000	-1.464

	B1	B2	H3	H4	H5	H6
B1		1.6546	1.2027	1.2027	2.5083	2.5083
B2	1.6546		2.5083	2.5083	1.2027	1.2027
H3	1.2027	2.5083		2.0406	3.2643	3.2643
H4	1.2027	2.5083	2.0406		3.2643	3.2643
H5	2.5083	1.2027	3.2643	3.2643		2.0406
H6	2.5083	1.2027	3.2643	3.2643	2.0406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.967	B1	B2	H6	121.967
B2	B1	H3	121.967	B2	B1	H4	121.967
H3	B1	H4	116.066	H5	B2	H6	116.066

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.025
2	B	-0.025
3	H	0.013
4	H	0.013
5	H	0.013
6	H	0.013

<r²>	26.222
(<r²>)^1/2	5.121

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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