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	hartrees
Energy at 0K	-27.098685
Energy at 298.15K	-27.101489
HF Energy	-27.058257
Nuclear repulsion energy	10.382282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2693	2572	37.74
2	A₁	2177	2079	85.72
3	A₁	1376	1314	50.41
4	A₁	1004	959	1.99
5	A₂	779	744	0.00
6	B₁	2813	2686	71.86
7	B₁	1073	1025	0.40
8	B₂	2048	1955	4.31
9	B₂	765	731	0.11

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.145
H2	0.000	0.538	-1.017
H3	0.000	-0.538	-1.017
H4	-1.065	0.000	0.655
H5	1.065	0.000	0.655

	B1	H2	H3	H4	H5
B1		1.2806	1.2806	1.1813	1.1813
H2	1.2806		1.0755	2.0549	2.0549
H3	1.2806	1.0755		2.0549	2.0549
H4	1.1813	2.0549	2.0549		2.1304
H5	1.1813	2.0549	2.0549	2.1304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.658	H2	B1	H4	113.101
H2	B1	H5	113.101	H3	B1	H4	113.101
H3	B1	H5	113.101	H4	B1	H5	128.770

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B2PLYP/6-31G(2df,p)

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	-0.305
2	H	0.128
3	H	0.128
4	H	0.024
5	H	0.024

	x	y	z	Total
	0.000	0.000	-1.313	1.313
CHELPG
AIM
ESP

<r²>	11.627
(<r²>)^1/2	3.410

All results from a given calculation for BH4 (borohydride)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for BH₄ (borohydride)