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	hartrees
Energy at 0K	-27.133180
Energy at 298.15K	-27.135838
HF Energy	-27.133180
Nuclear repulsion energy	10.285660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2667	2565	42.92
2	A₁	2076	1997	91.99
3	A₁	1266	1218	26.23
4	A₁	857	824	3.98
5	A₂	562	541	0.00
6	B₁	2781	2675	101.63
7	B₁	1080	1039	0.41
8	B₂	1886	1815	2.62
9	B₂	779	749	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.135
H2	0.000	0.592	-1.011
H3	0.000	-0.592	-1.011
H4	-1.057	0.000	0.672
H5	1.057	0.000	0.672

	B1	H2	H3	H4	H5
B1		1.2898	1.2898	1.1854	1.1854
H2	1.2898		1.1832	2.0733	2.0733
H3	1.2898	1.1832		2.0733	2.0733
H4	1.1854	2.0733	2.0733		2.1140
H5	1.1854	2.0733	2.0733	2.1140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	54.606	H2	B1	H4	113.716
H2	B1	H5	113.716	H3	B1	H4	113.716
H3	B1	H5	113.716	H4	B1	H5	126.174

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B3LYP/6-31G

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	-0.130
2	H	0.050
3	H	0.050
4	H	0.015
5	H	0.015

	x	y	z	Total
	0.000	0.000	-1.192	1.192
CHELPG
AIM
ESP

<r²>	11.820
(<r²>)^1/2	3.438

All results from a given calculation for BH4 (borohydride)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for BH₄ (borohydride)