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	hartrees
Energy at 0K	-51.641212
Energy at 298.15K	-51.643792
HF Energy	-51.641212
Nuclear repulsion energy	22.117155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2649	2396	0.00
2	A₁	1306	1182	0.00
3	A₁	863	780	0.00
4	B₁	486	440	0.00
5	B₂	2623	2372	134.25
6	B₂	1246	1127	32.54
7	E	2690	2433	152.46
7	E	2690	2433	152.46
8	E	1060	958	33.83
8	E	1060	958	33.83
9	E	490	443	11.87
9	E	490	443	11.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.017	1.468
H4	0.000	-1.017	1.468
H5	1.017	0.000	-1.468
H6	-1.017	0.000	-1.468

	B1	B2	H3	H4	H5	H6
B1		1.6738	1.1967	1.1967	2.5189	2.5189
B2	1.6738		2.5189	2.5189	1.1967	1.1967
H3	1.1967	2.5189		2.0341	3.2685	3.2685
H4	1.1967	2.5189	2.0341		3.2685	3.2685
H5	2.5189	1.1967	3.2685	3.2685		2.0341
H6	2.5189	1.1967	3.2685	3.2685	2.0341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.800	B1	B2	H6	121.800
B2	B1	H3	121.800	B2	B1	H4	121.800
H3	B1	H4	116.400	H5	B2	H6	116.400

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

using model chemistry: HF/6-311G*

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	-0.123
2	B	-0.123
3	H	0.062
4	H	0.062
5	H	0.062
6	H	0.062

<r²>	29.599
(<r²>)^1/2	5.440

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

using model chemistry: HF/6-311G*

States and conformations

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