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	hartrees
Energy at 0K	-27.093864
Energy at 298.15K	-27.096544
HF Energy	-27.093864
Nuclear repulsion energy	10.282777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2588	2559	28.58
2	A₁	2112	2088	74.52
3	A₁	1366	1350	33.55
4	A₁	991	980	0.02
5	A₂	598	592	0.00
6	B₁	2708	2677	71.25
7	B₁	1021	1009	0.12
8	B₂	1986	1964	0.02
9	B₂	688	680	0.85

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.149
H2	0.000	0.534	-1.031
H3	0.000	-0.534	-1.031
H4	-1.078	0.000	0.658
H5	1.078	0.000	0.658

	B1	H2	H3	H4	H5
B1		1.2956	1.2956	1.1926	1.1926
H2	1.2956		1.0680	2.0744	2.0744
H3	1.2956	1.0680		2.0744	2.0744
H4	1.1926	2.0744	2.0744		2.1568
H5	1.1926	2.0744	2.0744	2.1568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.678	H2	B1	H4	112.896
H2	B1	H5	112.896	H3	B1	H4	112.896
H3	B1	H5	112.896	H4	B1	H5	129.445

All results from a given calculation for BH₄ (borohydride)

using model chemistry: PBEPBEultrafine/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	-0.270
2	H	0.091
3	H	0.091
4	H	0.044
5	H	0.044

	x	y	z	Total
	0.000	0.000	-1.372	1.372
CHELPG
AIM
ESP

<r²>	12.019
(<r²>)^1/2	3.467

All results from a given calculation for BH4 (borohydride)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for BH₄ (borohydride)