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	hartrees
Energy at 0K	-27.149192
Energy at 298.15K	-27.151935
HF Energy	-27.149192
Nuclear repulsion energy	10.262739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2624	2546	37.33
2	A₁	2123	2060	89.05
3	A₁	1340	1300	41.21
4	A₁	976	947	0.12
5	A₂	675	655	0.00
6	B₁	2743	2662	81.85
7	B₁	1038	1008	0.78
8	B₂	1945	1887	0.09
9	B₂	736	714	0.17

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.147
H2	0.000	0.547	-1.031
H3	0.000	-0.547	-1.031
H4	-1.074	0.000	0.664
H5	1.074	0.000	0.664

	B1	H2	H3	H4	H5
B1		1.2980	1.2980	1.1925	1.1925
H2	1.2980		1.0931	2.0798	2.0798
H3	1.2980	1.0931		2.0798	2.0798
H4	1.1925	2.0798	2.0798		2.1486
H5	1.1925	2.0798	2.0798	2.1486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.807	H2	B1	H4	113.185
H2	B1	H5	113.185	H3	B1	H4	113.185
H3	B1	H5	113.185	H4	B1	H5	128.549

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B3LYP/aug-cc-pVDZ

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	-2.703
2	H	0.642
3	H	0.642
4	H	0.710
5	H	0.710

	x	y	z	Total
	0.000	0.000	-1.278	1.278
CHELPG
AIM
ESP

<r²>	12.084
(<r²>)^1/2	3.476

All results from a given calculation for BH4 (borohydride)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for BH₄ (borohydride)