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	hartrees
Energy at 0K	-27.144279
Energy at 298.15K	-27.147034
HF Energy	-27.144279
Nuclear repulsion energy	10.350603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2627	2512	35.34
2	A₁	2141	2047	81.54
3	A₁	1357	1297	45.80
4	A₁	992	948	1.72
5	A₂	696	665	0.00
6	B₁	2741	2621	82.70
7	B₁	1055	1009	0.47
8	B₂	2037	1948	0.23
9	B₂	728	696	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.533	-1.024
H3	0.000	-0.533	-1.024
H4	-1.068	0.000	0.659
H5	1.068	0.000	0.659

	B1	H2	H3	H4	H5
B1		1.2864	1.2864	1.1844	1.1844
H2	1.2864		1.0668	2.0633	2.0633
H3	1.2864	1.0668		2.0633	2.0633
H4	1.1844	2.0633	2.0633		2.1356
H5	1.1844	2.0633	2.0633	2.1356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.994	H2	B1	H4	113.186
H2	B1	H5	113.186	H3	B1	H4	113.186
H3	B1	H5	113.186	H4	B1	H5	128.726

All results from a given calculation for BH₄ (borohydride)

using model chemistry: wB97X-D/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	-0.419
2	H	0.137
3	H	0.137
4	H	0.073
5	H	0.073

	x	y	z	Total
	0.000	0.000	-1.360	1.360
CHELPG
AIM
ESP

<r²>	11.853
(<r²>)^1/2	3.443

All results from a given calculation for BH4 (borohydride)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)