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	hartrees
Energy at 0K	-27.146543
Energy at 298.15K	-27.149294
HF Energy	-27.146543
Nuclear repulsion energy	10.354407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2624	2624	35.39
2	A₁	2140	2140	81.64
3	A₁	1360	1360	45.38
4	A₁	996	996	1.43
5	A₂	695	695	0.00
6	B₁	2736	2736	84.08
7	B₁	1053	1053	0.50
8	B₂	2040	2040	0.03
9	B₂	720	720	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.532	-1.024
H3	0.000	-0.532	-1.024
H4	-1.068	0.000	0.659
H5	1.068	0.000	0.659

	B1	H2	H3	H4	H5
B1		1.2860	1.2860	1.1841	1.1841
H2	1.2860		1.0641	2.0628	2.0628
H3	1.2860	1.0641		2.0628	2.0628
H4	1.1841	2.0628	2.0628		2.1352
H5	1.1841	2.0628	2.0628	2.1352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.880	H2	B1	H4	113.193
H2	B1	H5	113.193	H3	B1	H4	113.193
H3	B1	H5	113.193	H4	B1	H5	128.736

All results from a given calculation for BH₄ (borohydride)

using model chemistry: wB97X-D/cc-pVQZ

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	0.155
2	H	0.020
3	H	0.020
4	H	-0.098
5	H	-0.098

	x	y	z	Total
	0.000	0.000	-1.359	1.359
CHELPG
AIM
ESP

<r²>	11.847
(<r²>)^1/2	3.442

All results from a given calculation for BH4 (borohydride)

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

All results from a given calculation for BH₄ (borohydride)