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	hartrees
Energy at 0K	-5.070479
Energy at 298.15K	-5.073191
HF Energy	-5.070479
Nuclear repulsion energy	6.793752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2610	2610	59.53
2	A₁	2078	2078	129.35
3	A₁	1247	1247	25.00
4	A₁	859	859	2.56
5	A₂	637	637	0.00
6	B₁	2736	2736	131.30
7	B₁	1048	1048	0.74
8	B₂	1879	1879	0.15
9	B₂	787	787	0.22

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.140
H2	0.000	0.599	-1.022
H3	0.000	-0.599	-1.022
H4	-1.068	0.000	0.671
H5	1.068	0.000	0.671

	B1	H2	H3	H4	H5
B1		1.3077	1.3077	1.1921	1.1921
H2	1.3077		1.1971	2.0892	2.0892
H3	1.3077	1.1971		2.0892	2.0892
H4	1.1921	2.0892	2.0892		2.1352
H5	1.1921	2.0892	2.0892	2.1352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	54.478	H2	B1	H4	113.306
H2	B1	H5	113.306	H3	B1	H4	113.306
H3	B1	H5	113.306	H4	B1	H5	127.154

All results from a given calculation for BH₄ (borohydride)

using model chemistry: wB97X-D/CEP-121G

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	-0.233
2	H	0.069
3	H	0.069
4	H	0.047
5	H	0.047

	x	y	z	Total
	0.000	0.000	-1.281	1.281
CHELPG
AIM
ESP

<r²>	11.930
(<r²>)^1/2	3.454

All results from a given calculation for BH4 (borohydride)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for BH₄ (borohydride)