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	hartrees
Energy at 0K	-26.902396
Energy at 298.15K	-26.905258
HF Energy	-26.902396
Nuclear repulsion energy	10.376598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2712	2464	53.79
2	A₁	2181	1982	142.82
3	A₁	1392	1264	72.75
4	A₁	936	851	18.75
5	A₂	960	872	0.00
6	B₁	2824	2566	125.21
7	B₁	1124	1021	3.48
8	B₂	2065	1876	0.30
9	B₂	794	721	0.47

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.525	-1.026
H3	0.000	-0.525	-1.026
H4	-1.064	0.000	0.660
H5	1.064	0.000	0.660

	B1	H2	H3	H4	H5
B1		1.2845	1.2845	1.1818	1.1818
H2	1.2845		1.0505	2.0621	2.0621
H3	1.2845	1.0505		2.0621	2.0621
H4	1.1818	2.0621	2.0621		2.1280
H5	1.1818	2.0621	2.0621	2.1280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.275	H2	B1	H4	113.399
H2	B1	H5	113.399	H3	B1	H4	113.399
H3	B1	H5	113.399	H4	B1	H5	128.407

All results from a given calculation for BH₄ (borohydride)

using model chemistry: HF/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	-0.051
2	H	0.056
3	H	0.056
4	H	-0.031
5	H	-0.031

	x	y	z	Total
	0.000	0.000	-1.298	1.298
CHELPG
AIM
ESP

<r²>	11.935
(<r²>)^1/2	3.455

All results from a given calculation for BH4 (borohydride)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for BH₄ (borohydride)