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	hartrees
Energy at 0K	-27.144495
Energy at 298.15K	-27.147248
HF Energy	-27.144495
Nuclear repulsion energy	10.350924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2627	2513	35.60
2	A₁	2141	2048	81.22
3	A₁	1357	1298	43.68
4	A₁	991	948	1.27
5	A₂	693	663	0.00
6	B₁	2741	2622	82.80
7	B₁	1054	1008	0.51
8	B₂	2036	1948	0.03
9	B₂	726	694	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.533	-1.025
H3	0.000	-0.533	-1.025
H4	-1.068	0.000	0.659
H5	1.068	0.000	0.659

	B1	H2	H3	H4	H5
B1		1.2864	1.2864	1.1844	1.1844
H2	1.2864		1.0655	2.0634	2.0634
H3	1.2864	1.0655		2.0634	2.0634
H4	1.1844	2.0634	2.0634		2.1357
H5	1.1844	2.0634	2.0634	2.1357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.930	H2	B1	H4	113.189
H2	B1	H5	113.189	H3	B1	H4	113.189
H3	B1	H5	113.189	H4	B1	H5	128.734

All results from a given calculation for BH₄ (borohydride)

using model chemistry: wB97X-D/aug-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	-0.323
2	H	0.150
3	H	0.150
4	H	0.012
5	H	0.012

	x	y	z	Total
	0.000	0.000	-1.350	1.350
CHELPG
AIM
ESP

<r²>	11.864
(<r²>)^1/2	3.444

All results from a given calculation for BH4 (borohydride)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)