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	hartrees
Energy at 0K	-51.892804
Energy at 298.15K	-51.895251
HF Energy	-51.650159
Nuclear repulsion energy	22.248076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1217	1217
2	A₁	856	856
3	B₁	521	521
4	B₂	1156	1156
5	E	2619	2619
6	E	2618	2618
7	E	2568	2568
7	E	2547	2547
8	E	1000	1000
8	E	1000	1000
9	E	413	413
9	E	413	413

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.825
B2	0.000	0.000	-0.825
H3	0.000	1.018	1.458
H4	0.000	-1.018	1.458
H5	1.018	0.000	-1.458
H6	-1.018	0.000	-1.458

	B1	B2	H3	H4	H5	H6
B1		1.6508	1.1984	1.1984	2.5002	2.5002
B2	1.6508		2.5002	2.5002	1.1984	1.1984
H3	1.1984	2.5002		2.0353	3.2524	3.2524
H4	1.1984	2.5002	2.0353		3.2524	3.2524
H5	2.5002	1.1984	3.2524	3.2524		2.0353
H6	2.5002	1.1984	3.2524	3.2524	2.0353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.878	B1	B2	H6	121.878
B2	B1	H3	121.878	B2	B1	H4	121.878
H3	B1	H4	116.244	H5	B2	H6	116.244

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

using model chemistry: QCISD(TQ)/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: QCISD(TQ)/6-311+G(3df,2p)

States and conformations

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