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	hartrees
Energy at 0K	-26.978200
Energy at 298.15K	-26.980781
HF Energy	-26.978200
Nuclear repulsion energy	10.310339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2593	2564	20.42
2	A₁	2132	2109	53.09
3	A₁	1403	1388	30.21
4	A₁	1001	990	0.29
5	A₂	469	464	0.00
6	B₁	2714	2684	48.63
7	B₁	996	985	0.06
8	B₂	2016	1994	1.34
9	B₂	668	661	0.61

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.147
H2	0.000	0.538	-1.024
H3	0.000	-0.538	-1.024
H4	-1.076	0.000	0.656
H5	1.076	0.000	0.656

	B1	H2	H3	H4	H5
B1		1.2892	1.2892	1.1907	1.1907
H2	1.2892		1.0760	2.0671	2.0671
H3	1.2892	1.0760		2.0671	2.0671
H4	1.1907	2.0671	2.0671		2.1529
H5	1.1907	2.0671	2.0671	2.1529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.328	H2	B1	H4	112.862
H2	B1	H5	112.862	H3	B1	H4	112.862
H3	B1	H5	112.862	H4	B1	H5	129.379

All results from a given calculation for BH₄ (borohydride)

using model chemistry: LSDA/cc-pVTZ

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	-0.484
2	H	0.146
3	H	0.146
4	H	0.096
5	H	0.096

	x	y	z	Total
	0.000	0.000	-1.386	1.386
CHELPG
AIM
ESP

<r²>	12.001
(<r²>)^1/2	3.464

All results from a given calculation for BH4 (borohydride)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)