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	hartrees
Energy at 0K	-26.975810
Energy at 298.15K	-26.978397
HF Energy	-26.975810
Nuclear repulsion energy	10.298286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2592	2562	21.35
2	A₁	2136	2111	53.90
3	A₁	1394	1377	26.93
4	A₁	1002	990	0.02
5	A₂	472	467	0.00
6	B₁	2714	2682	53.33
7	B₁	1003	991	0.13
8	B₂	2015	1992	0.44
9	B₂	676	668	2.17

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.540	-1.025
H3	0.000	-0.540	-1.025
H4	-1.077	0.000	0.659
H5	1.077	0.000	0.659

	B1	H2	H3	H4	H5
B1		1.2897	1.2897	1.1926	1.1926
H2	1.2897		1.0799	2.0701	2.0701
H3	1.2897	1.0799		2.0701	2.0701
H4	1.1926	2.0701	2.0701		2.1542
H5	1.1926	2.0701	2.0701	2.1542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.502	H2	B1	H4	112.948
H2	B1	H5	112.948	H3	B1	H4	112.948
H3	B1	H5	112.948	H4	B1	H5	129.149

All results from a given calculation for BH₄ (borohydride)

using model chemistry: LSDA/TZVP

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	-0.339
2	H	0.104
3	H	0.104
4	H	0.066
5	H	0.066

	x	y	z	Total
	0.000	0.000	-1.416	1.416
CHELPG
AIM
ESP

<r²>	12.033
(<r²>)^1/2	3.469

All results from a given calculation for BH4 (borohydride)

using model chemistry: LSDA/TZVP

States and conformations

All results from a given calculation for BH₄ (borohydride)