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	hartrees
Energy at 0K	-26.913981
Energy at 298.15K	-26.916695
HF Energy	-26.891338
Nuclear repulsion energy	10.313125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2701	2701	28.44
2	A₁	2091	2091	81.33
3	A₁	1264	1264	37.84
4	A₁	724	724	22.10
5	A₂	744	744	0.00
6	B₁	2822	2822	72.32
7	B₁	1093	1093	0.60
8	B₂	1956	1956	8.35
9	B₂	785	785	0.39

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.139
H2	0.000	0.569	-1.015
H3	0.000	-0.569	-1.015
H4	-1.062	0.000	0.667
H5	1.062	0.000	0.667

	B1	H2	H3	H4	H5
B1		1.2868	1.2868	1.1855	1.1855
H2	1.2868		1.1386	2.0687	2.0687
H3	1.2868	1.1386		2.0687	2.0687
H4	1.1855	2.0687	2.0687		2.1231
H5	1.1855	2.0687	2.0687	2.1231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	52.517	H2	B1	H4	113.531
H2	B1	H5	113.531	H3	B1	H4	113.531
H3	B1	H5	113.531	H4	B1	H5	127.130

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B2PLYP/3-21G

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	-0.259
2	H	0.075
3	H	0.075
4	H	0.054
5	H	0.054

	x	y	z	Total
	0.000	0.000	-1.211	1.211
CHELPG
AIM
ESP

<r²>	11.995
(<r²>)^1/2	3.463

All results from a given calculation for BH4 (borohydride)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for BH₄ (borohydride)