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	hartrees
Energy at 0K	-27.097125
Energy at 298.15K	-27.099840
HF Energy	-27.097125
Nuclear repulsion energy	10.305020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2621	2515	39.96
2	A₁	2125	2040	80.94
3	A₁	1304	1251	34.76
4	A₁	952	913	0.84
5	A₂	650	624	0.00
6	B₁	2738	2628	86.55
7	B₁	1048	1006	0.17
8	B₂	1996	1915	1.63
9	B₂	731	701	0.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.144
H2	0.000	0.559	-1.017
H3	0.000	-0.559	-1.017
H4	-1.071	0.000	0.658
H5	1.071	0.000	0.658

	B1	H2	H3	H4	H5
B1		1.2888	1.2888	1.1881	1.1881
H2	1.2888		1.1184	2.0654	2.0654
H3	1.2888	1.1184		2.0654	2.0654
H4	1.1881	2.0654	2.0654		2.1424
H5	1.1881	2.0654	2.0654	2.1424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	51.429	H2	B1	H4	112.935
H2	B1	H5	112.935	H3	B1	H4	112.935
H3	B1	H5	112.935	H4	B1	H5	128.746

All results from a given calculation for BH₄ (borohydride)

using model chemistry: HSEh1PBE/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	-0.529
2	H	0.154
3	H	0.154
4	H	0.110
5	H	0.110

	x	y	z	Total
	0.000	0.000	-1.321	1.321
CHELPG
AIM
ESP

<r²>	11.938
(<r²>)^1/2	3.455

All results from a given calculation for BH4 (borohydride)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for BH₄ (borohydride)