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	hartrees
Energy at 0K	-27.095965
Energy at 298.15K	-27.098640
HF Energy	-27.095965
Nuclear repulsion energy	10.291801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2587	2570	28.90
2	A₁	2105	2091	74.87
3	A₁	1373	1364	33.88
4	A₁	992	985	0.23
5	A₂	594	590	0.00
6	B₁	2706	2688	69.11
7	B₁	1014	1008	0.24
8	B₂	1982	1969	0.05
9	B₂	680	676	0.08

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.150
H2	0.000	0.532	-1.032
H3	0.000	-0.532	-1.032
H4	-1.078	0.000	0.657
H5	1.078	0.000	0.657

	B1	H2	H3	H4	H5
B1		1.2959	1.2959	1.1908	1.1908
H2	1.2959		1.0631	2.0725	2.0725
H3	1.2959	1.0631		2.0725	2.0725
H4	1.1908	2.0725	2.0725		2.1552
H5	1.1908	2.0725	2.0725	2.1552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.433	H2	B1	H4	112.839
H2	B1	H5	112.839	H3	B1	H4	112.839
H3	B1	H5	112.839	H4	B1	H5	129.623

All results from a given calculation for BH₄ (borohydride)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	B	-0.327
2	H	0.146
3	H	0.146
4	H	0.017
5	H	0.017

	x	y	z	Total
	0.000	0.000	-1.332	1.332
CHELPG
AIM
ESP

<r²>	12.020
(<r²>)^1/2	3.467

All results from a given calculation for BH4 (borohydride)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)