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	hartrees
Energy at 0K	-27.121669
Energy at 298.15K	-27.124354
HF Energy	-27.121669
Nuclear repulsion energy	10.293901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2585	2575	36.50
2	A₁	2058	2050	85.15
3	A₁	1301	1296	37.70
4	A₁	943	940	0.75
5	A₂	601	599	0.00
6	B₁	2699	2688	84.57
7	B₁	1030	1026	0.45
8	B₂	1888	1881	0.27
9	B₂	724	721	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.147
H2	0.000	0.547	-1.028
H3	0.000	-0.547	-1.028
H4	-1.070	0.000	0.661
H5	1.070	0.000	0.661

	B1	H2	H3	H4	H5
B1		1.2958	1.2958	1.1870	1.1870
H2	1.2958		1.0943	2.0727	2.0727
H3	1.2958	1.0943		2.0727	2.0727
H4	1.1870	2.0727	2.0727		2.1397
H5	1.1870	2.0727	2.0727	2.1397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.956	H2	B1	H4	113.123
H2	B1	H5	113.123	H3	B1	H4	113.123
H3	B1	H5	113.123	H4	B1	H5	128.654

All results from a given calculation for BH₄ (borohydride)

using model chemistry: BLYP/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	-0.170
2	H	0.081
3	H	0.081
4	H	0.004
5	H	0.004

	x	y	z	Total
	0.000	0.000	-1.285	1.285
CHELPG
AIM
ESP

<r²>	12.021
(<r²>)^1/2	3.467

All results from a given calculation for BH4 (borohydride)

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

States and conformations

All results from a given calculation for BH₄ (borohydride)