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	hartrees
Energy at 0K	-27.057666
Energy at 298.15K	-27.060399
HF Energy	-27.035026
Nuclear repulsion energy	10.304257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2686	2686	43.49
2	A₁	2095	2095	99.78
3	A₁	1279	1279	33.69
4	A₁	816	816	9.72
5	A₂	703	703	0.00
6	B₁	2801	2801	102.81
7	B₁	1097	1097	0.86
8	B₂	1917	1917	2.95
9	B₂	796	796	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.137
H2	0.000	0.581	-1.012
H3	0.000	-0.581	-1.012
H4	-1.057	0.000	0.671
H5	1.057	0.000	0.671

	B1	H2	H3	H4	H5
B1		1.2875	1.2875	1.1847	1.1847
H2	1.2875		1.1623	2.0710	2.0710
H3	1.2875	1.1623		2.0710	2.0710
H4	1.1847	2.0710	2.0710		2.1148
H5	1.1847	2.0710	2.0710	2.1148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	53.662	H2	B1	H4	113.731
H2	B1	H5	113.731	H3	B1	H4	113.731
H3	B1	H5	113.731	H4	B1	H5	126.384

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B2PLYP/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	-0.096
2	H	0.046
3	H	0.046
4	H	0.002
5	H	0.002

	x	y	z	Total
	0.000	0.000	-1.189	1.189
CHELPG
AIM
ESP

<r²>	11.879
(<r²>)^1/2	3.447

All results from a given calculation for BH4 (borohydride)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for BH₄ (borohydride)