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	hartrees
Energy at 0K	-27.087164
Energy at 298.15K	-27.089990
HF Energy	-26.904935
Nuclear repulsion energy	10.423834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2681	2599
2	A₁	2198	2131
3	A₁	1439	1395
4	A₁	1043	1011
5	A₂	842	816
6	B₁	2804	2718
7	B₁	1077	1044
8	B₂	2089	2025
9	B₂	730	708

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.151
H2	0.000	0.514	-1.022
H3	0.000	-0.514	-1.022
H4	-1.068	0.000	0.646
H5	1.068	0.000	0.646

	B1	H2	H3	H4	H5
B1		1.2810	1.2810	1.1769	1.1769
H2	1.2810		1.0289	2.0464	2.0464
H3	1.2810	1.0289		2.0464	2.0464
H4	1.1769	2.0464	2.0464		2.1356
H5	1.1769	2.0464	2.0464	2.1356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	47.357	H2	B1	H4	112.656
H2	B1	H5	112.656	H3	B1	H4	112.656
H3	B1	H5	112.656	H4	B1	H5	130.254

All results from a given calculation for BH₄ (borohydride)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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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All results from a given calculation for BH4 (borohydride)

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)