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	hartrees
Energy at 0K	-52.016134
Energy at 298.15K	-52.018582
HF Energy	-52.016134
Nuclear repulsion energy	22.371498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2638	2496	0.00
2	A₁	1227	1161	0.00
3	A₁	876	828	0.00
4	B₁	533	504	0.00
5	B₂	2617	2477	72.41
6	B₂	1160	1097	5.53
7	E	2684	2540	84.28
7	E	2684	2540	84.28
8	E	1003	949	24.67
8	E	1003	949	24.67
9	E	405	383	4.08
9	E	405	383	4.08

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.014	1.450
H4	0.000	-1.014	1.450
H5	1.014	0.000	-1.450
H6	-1.014	0.000	-1.450

	B1	B2	H3	H4	H5	H6
B1		1.6386	1.1941	1.1941	2.4852	2.4852
B2	1.6386		2.4852	2.4852	1.1941	1.1941
H3	1.1941	2.4852		2.0285	3.2345	3.2345
H4	1.1941	2.4852	2.0285		3.2345	3.2345
H5	2.4852	1.1941	3.2345	3.2345		2.0285
H6	2.4852	1.1941	3.2345	3.2345	2.0285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.854	B1	B2	H6	121.854
B2	B1	H3	121.854	B2	B1	H4	121.854
H3	B1	H4	116.291	H5	B2	H6	116.291

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

using model chemistry: M06-2X/TZVP

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	-0.002
2	B	-0.002
3	H	0.001
4	H	0.001
5	H	0.001
6	H	0.001

<r²>	28.796
(<r²>)^1/2	5.366

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

using model chemistry: M06-2X/TZVP

States and conformations

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