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	hartrees
Energy at 0K	-27.109949
Energy at 298.15K	-27.112707
HF Energy	-27.109949
Nuclear repulsion energy	10.353783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2640	2537	31.79
2	A₁	2156	2072	81.33
3	A₁	1408	1353	43.51
4	A₁	1018	979	0.01
5	A₂	703	676	0.00
6	B₁	2759	2652	74.07
7	B₁	1043	1002	0.29
8	B₂	2055	1975	0.33
9	B₂	714	686	0.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.149
H2	0.000	0.526	-1.026
H3	0.000	-0.526	-1.026
H4	-1.072	0.000	0.654
H5	1.072	0.000	0.654

	B1	H2	H3	H4	H5
B1		1.2874	1.2874	1.1848	1.1848
H2	1.2874		1.0520	2.0613	2.0613
H3	1.2874	1.0520		2.0613	2.0613
H4	1.1848	2.0613	2.0613		2.1431
H5	1.1848	2.0613	2.0613	2.1431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.233	H2	B1	H4	112.914
H2	B1	H5	112.914	H3	B1	H4	112.914
H3	B1	H5	112.914	H4	B1	H5	129.497

All results from a given calculation for BH₄ (borohydride)

using model chemistry: HSEh1PBE/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	-0.367
2	H	0.130
3	H	0.130
4	H	0.053
5	H	0.053

	x	y	z	Total
	0.000	0.000	-1.356	1.356
CHELPG
AIM
ESP

<r²>	11.874
(<r²>)^1/2	3.446

All results from a given calculation for BH4 (borohydride)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)