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	hartrees
Energy at 0K	-51.992362
Energy at 298.15K	-51.994742
HF Energy	-51.992362
Nuclear repulsion energy	22.395490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2558	2452	0.00
2	A₁	1191	1142	0.00
3	A₁	872	836	0.00
4	B₁	569	546	0.00
5	B₂	2535	2430	65.27
6	B₂	1121	1074	2.20
7	E	2604	2497	84.39
7	E	2604	2497	84.39
8	E	971	931	25.44
8	E	971	931	25.44
9	E	374	358	2.65
9	E	374	358	2.65

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.813
B2	0.000	0.000	-0.813
H3	0.000	1.015	1.454
H4	0.000	-1.015	1.454
H5	1.015	0.000	-1.454
H6	-1.015	0.000	-1.454

	B1	B2	H3	H4	H5	H6
B1		1.6252	1.2002	1.2002	2.4830	2.4830
B2	1.6252		2.4830	2.4830	1.2002	1.2002
H3	1.2002	2.4830		2.0292	3.2421	3.2421
H4	1.2002	2.4830	2.0292		3.2421	3.2421
H5	2.4830	1.2002	3.2421	3.2421		2.0292
H6	2.4830	1.2002	3.2421	3.2421	2.0292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.286	B1	B2	H6	122.286
B2	B1	H3	122.286	B2	B1	H4	122.286
H3	B1	H4	115.428	H5	B2	H6	115.428

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

using model chemistry: B1B95/6-311G*

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	-0.161
2	B	-0.161
3	H	0.080
4	H	0.080
5	H	0.080
6	H	0.080

<r²>	28.745
(<r²>)^1/2	5.361

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

using model chemistry: B1B95/6-311G*

States and conformations

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