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	hartrees
Energy at 0K	-27.083368
Energy at 298.15K	-27.085970
HF Energy	-27.083368
Nuclear repulsion energy	10.244379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2569	2543	36.38
2	A₁	2072	2051	72.90
3	A₁	1270	1257	29.03
4	A₁	931	922	0.30
5	A₂	514	508	0.00
6	B₁	2686	2658	79.49
7	B₁	1020	1010	0.05
8	B₂	1932	1912	1.53
9	B₂	695	688	0.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.145
H2	0.000	0.565	-1.023
H3	0.000	-0.565	-1.023
H4	-1.077	0.000	0.660
H5	1.077	0.000	0.660

	B1	H2	H3	H4	H5
B1		1.2973	1.2973	1.1940	1.1940
H2	1.2973		1.1303	2.0765	2.0765
H3	1.2973	1.1303		2.0765	2.0765
H4	1.1940	2.0765	2.0765		2.1542
H5	1.1940	2.0765	2.0765	2.1542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	51.651	H2	B1	H4	112.854
H2	B1	H5	112.854	H3	B1	H4	112.854
H3	B1	H5	112.854	H4	B1	H5	128.878

All results from a given calculation for BH₄ (borohydride)

using model chemistry: PBEPBE/6-311G*

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	-0.520
2	H	0.150
3	H	0.150
4	H	0.110
5	H	0.110

	x	y	z	Total
	0.000	0.000	-1.322	1.322
CHELPG
AIM
ESP

<r²>	12.041
(<r²>)^1/2	3.470

All results from a given calculation for BH4 (borohydride)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for BH₄ (borohydride)