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	hartrees
Energy at 0K	-27.135302
Energy at 298.15K	-27.138065
HF Energy	-27.135302
Nuclear repulsion energy	10.332848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2634	2509	43.16
2	A₁	2159	2056	92.46
3	A₁	1352	1288	46.51
4	A₁	988	941	3.28
5	A₂	715	681	0.00
6	B₁	2747	2615	102.37
7	B₁	1068	1017	0.57
8	B₂	2044	1947	0.27
9	B₂	741	706	0.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.535	-1.024
H3	0.000	-0.535	-1.024
H4	-1.071	0.000	0.660
H5	1.071	0.000	0.660

	B1	H2	H3	H4	H5
B1		1.2862	1.2862	1.1883	1.1883
H2	1.2862		1.0691	2.0664	2.0664
H3	1.2862	1.0691		2.0664	2.0664
H4	1.1883	2.0664	2.0664		2.1426
H5	1.1883	2.0664	2.0664	2.1426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.114	H2	B1	H4	113.182
H2	B1	H5	113.182	H3	B1	H4	113.182
H3	B1	H5	113.182	H4	B1	H5	128.708

All results from a given calculation for BH₄ (borohydride)

using model chemistry: wB97X-D/6-31+G**

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	-0.219
2	H	0.079
3	H	0.079
4	H	0.031
5	H	0.031

	x	y	z	Total
	0.000	0.000	-1.355	1.355
CHELPG
AIM
ESP

<r²>	11.913
(<r²>)^1/2	3.452

All results from a given calculation for BH4 (borohydride)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for BH₄ (borohydride)