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	hartrees
Energy at 0K	-52.060352
Energy at 298.15K	-52.062776
HF Energy	-52.060352
Nuclear repulsion energy	22.330317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2567	2567	0.00
2	A₁	1206	1206	0.00
3	A₁	865	865	0.00
4	B₁	560	560	0.00
5	B₂	2545	2545	68.88
6	B₂	1146	1146	2.95
7	E	2609	2609	88.56
7	E	2609	2609	88.56
8	E	994	994	24.82
8	E	994	994	24.82
9	E	388	388	3.00
9	E	388	388	3.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.818
B2	0.000	0.000	-0.818
H3	0.000	1.015	1.457
H4	0.000	-1.015	1.457
H5	1.015	0.000	-1.457
H6	-1.015	0.000	-1.457

	B1	B2	H3	H4	H5	H6
B1		1.6361	1.1995	1.1995	2.4911	2.4911
B2	1.6361		2.4911	2.4911	1.1995	1.1995
H3	1.1995	2.4911		2.0307	3.2482	3.2482
H4	1.1995	2.4911	2.0307		3.2482	3.2482
H5	2.4911	1.1995	3.2482	3.2482		2.0307
H6	2.4911	1.1995	3.2482	3.2482	2.0307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.173	B1	B2	H6	122.173
B2	B1	H3	122.173	B2	B1	H4	122.173
H3	B1	H4	115.654	H5	B2	H6	115.654

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

using model chemistry: TPSSh/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	-0.016
2	B	-0.016
3	H	0.008
4	H	0.008
5	H	0.008
6	H	0.008

<r²>	28.832
(<r²>)^1/2	5.370

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

using model chemistry: TPSSh/6-311G**

States and conformations

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