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	hartrees
Energy at 0K	-51.615679
Energy at 298.15K	-51.618292
HF Energy	-51.615679
Nuclear repulsion energy	22.139703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2676	2409	0.00
2	A₁	1270	1144	0.00
3	A₁	890	802	0.00
4	B₁	517	466	0.00
5	B₂	2643	2380	157.52
6	B₂	1217	1096	10.53
7	E	2735	2463	173.27
7	E	2735	2463	173.27
8	E	1067	960	28.75
8	E	1067	960	28.75
9	E	498	448	1.57
9	E	498	448	1.57

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.016	1.465
H4	0.000	-1.016	1.465
H5	1.016	0.000	-1.465
H6	-1.016	0.000	-1.465

	B1	B2	H3	H4	H5	H6
B1		1.6732	1.1949	1.1949	2.5160	2.5160
B2	1.6732		2.5160	2.5160	1.1949	1.1949
H3	1.1949	2.5160		2.0326	3.2636	3.2636
H4	1.1949	2.5160	2.0326		3.2636	3.2636
H5	2.5160	1.1949	3.2636	3.2636		2.0326
H6	2.5160	1.1949	3.2636	3.2636	2.0326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.733	B1	B2	H6	121.733
B2	B1	H3	121.733	B2	B1	H4	121.733
H3	B1	H4	116.534	H5	B2	H6	116.534

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

using model chemistry: HF/SDD

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	-0.075
2	B	-0.075
3	H	0.038
4	H	0.038
5	H	0.038
6	H	0.038

<r²>	29.328
(<r²>)^1/2	5.416

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

using model chemistry: HF/SDD

States and conformations

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