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	hartrees
Energy at 0K	-27.116967
Energy at 298.15K	-27.119718
HF Energy	-27.116967
Nuclear repulsion energy	10.357834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2644	2539	36.95
2	A₁	2133	2048	87.81
3	A₁	1354	1300	43.90
4	A₁	987	948	0.67
5	A₂	698	670	0.00
6	B₁	2763	2653	85.87
7	B₁	1045	1003	0.45
8	B₂	2024	1943	0.63
9	B₂	726	697	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.147
H2	0.000	0.536	-1.023
H3	0.000	-0.536	-1.023
H4	-1.067	0.000	0.655
H5	1.067	0.000	0.655

	B1	H2	H3	H4	H5
B1		1.2871	1.2871	1.1818	1.1818
H2	1.2871		1.0729	2.0596	2.0596
H3	1.2871	1.0729		2.0596	2.0596
H4	1.1818	2.0596	2.0596		2.1342
H5	1.1818	2.0596	2.0596	2.1342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.263	H2	B1	H4	112.995
H2	B1	H5	112.995	H3	B1	H4	112.995
H3	B1	H5	112.995	H4	B1	H5	129.095

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B1B95/6-311G**

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	-0.234
2	H	0.097
3	H	0.097
4	H	0.020
5	H	0.020

	x	y	z	Total
	0.000	0.000	-1.307	1.307
CHELPG
AIM
ESP

<r²>	11.858
(<r²>)^1/2	3.444

All results from a given calculation for BH4 (borohydride)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for BH₄ (borohydride)