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	hartrees
Energy at 0K	-27.108046
Energy at 298.15K	-27.110807
HF Energy	-27.108046
Nuclear repulsion energy	10.345543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2640	2535	32.54
2	A₁	2164	2078	83.06
3	A₁	1401	1345	41.62
4	A₁	1016	975	0.19
5	A₂	710	681	0.00
6	B₁	2761	2651	78.31
7	B₁	1048	1006	0.30
8	B₂	2054	1972	0.03
9	B₂	718	690	0.62

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.148
H2	0.000	0.527	-1.026
H3	0.000	-0.527	-1.026
H4	-1.073	0.000	0.655
H5	1.073	0.000	0.655

	B1	H2	H3	H4	H5
B1		1.2873	1.2873	1.1864	1.1864
H2	1.2873		1.0545	2.0630	2.0630
H3	1.2873	1.0545		2.0630	2.0630
H4	1.1864	2.0630	2.0630		2.1452
H5	1.1864	2.0630	2.0630	2.1452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.355	H2	B1	H4	112.951
H2	B1	H5	112.951	H3	B1	H4	112.951
H3	B1	H5	112.951	H4	B1	H5	129.390

All results from a given calculation for BH₄ (borohydride)

using model chemistry: HSEh1PBE/TZVP

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	-0.238
2	H	0.088
3	H	0.088
4	H	0.031
5	H	0.031

	x	y	z	Total
	0.000	0.000	-1.378	1.378
CHELPG
AIM
ESP

<r²>	11.894
(<r²>)^1/2	3.449

All results from a given calculation for BH4 (borohydride)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for BH₄ (borohydride)