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	hartrees
Energy at 0K	-27.146672
Energy at 298.15K	-27.149421
HF Energy	-27.146672
Nuclear repulsion energy	10.353218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2625	2625	35.69
2	A₁	2138	2138	82.26
3	A₁	1358	1358	43.96
4	A₁	995	995	1.19
5	A₂	695	695	0.00
6	B₁	2738	2738	84.52
7	B₁	1054	1054	0.55
8	B₂	2038	2038	0.05
9	B₂	718	718	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.147
H2	0.000	0.532	-1.025
H3	0.000	-0.532	-1.025
H4	-1.068	0.000	0.658
H5	1.068	0.000	0.658

	B1	H2	H3	H4	H5
B1		1.2864	1.2864	1.1840	1.1840
H2	1.2864		1.0645	2.0630	2.0630
H3	1.2864	1.0645		2.0630	2.0630
H4	1.1840	2.0630	2.0630		2.1353
H5	1.1840	2.0630	2.0630	2.1353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.879	H2	B1	H4	113.178
H2	B1	H5	113.178	H3	B1	H4	113.178
H3	B1	H5	113.178	H4	B1	H5	128.769

All results from a given calculation for BH₄ (borohydride)

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

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	0.531
2	H	-0.036
3	H	-0.036
4	H	-0.229
5	H	-0.229

	x	y	z	Total
	0.000	0.000	-1.351	1.351
CHELPG
AIM
ESP

<r²>	11.858
(<r²>)^1/2	3.444

All results from a given calculation for BH4 (borohydride)

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

States and conformations

All results from a given calculation for BH₄ (borohydride)