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	hartrees
Energy at 0K	-26.901813
Energy at 298.15K	-26.904696
HF Energy	-26.901813
Nuclear repulsion energy	10.380640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2716	2716	52.00
2	A₁	2175	2175	140.34
3	A₁	1436	1436	61.24
4	A₁	1012	1012	3.86
5	A₂	962	962	0.00
6	B₁	2827	2827	114.97
7	B₁	1118	1118	2.68
8	B₂	2101	2101	1.28
9	B₂	805	805	0.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.149
H2	0.000	0.516	-1.032
H3	0.000	-0.516	-1.032
H4	-1.064	0.000	0.659
H5	1.064	0.000	0.659

	B1	H2	H3	H4	H5
B1		1.2886	1.2886	1.1796	1.1796
H2	1.2886		1.0316	2.0628	2.0628
H3	1.2886	1.0316		2.0628	2.0628
H4	1.1796	2.0628	2.0628		2.1278
H5	1.1796	2.0628	2.0628	2.1278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	47.193	H2	B1	H4	113.314
H2	B1	H5	113.314	H3	B1	H4	113.314
H3	B1	H5	113.314	H4	B1	H5	128.827

All results from a given calculation for BH₄ (borohydride)

using model chemistry: ROHF/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	-0.306
2	H	0.154
3	H	0.154
4	H	-0.001
5	H	-0.001

	x	y	z	Total
	0.000	0.000	-1.294	1.294
CHELPG
AIM
ESP

<r²>	11.947
(<r²>)^1/2	3.456

All results from a given calculation for BH4 (borohydride)

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)