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	hartrees
Energy at 0K	-27.139407
Energy at 298.15K	-27.142156
HF Energy	-27.139407
Nuclear repulsion energy	10.342930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2653	2551	37.91
2	A₁	2158	2075	81.78
3	A₁	1382	1329	43.07
4	A₁	1011	972	0.27
5	A₂	690	664	0.00
6	B₁	2773	2666	72.17
7	B₁	1046	1006	0.14
8	B₂	2049	1970	4.04
9	B₂	724	696	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.536	-1.022
H3	0.000	-0.536	-1.022
H4	-1.071	0.000	0.657
H5	1.071	0.000	0.657

	B1	H2	H3	H4	H5
B1		1.2854	1.2854	1.1867	1.1867
H2	1.2854		1.0725	2.0625	2.0625
H3	1.2854	1.0725		2.0625	2.0625
H4	1.1867	2.0625	2.0625		2.1422
H5	1.1867	2.0625	2.0625	2.1422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.313	H2	B1	H4	113.032
H2	B1	H5	113.032	H3	B1	H4	113.032
H3	B1	H5	113.032	H4	B1	H5	129.002

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B3PW91/6-31G(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	-0.349
2	H	0.137
3	H	0.137
4	H	0.037
5	H	0.037

	x	y	z	Total
	0.000	0.000	-1.342	1.342
CHELPG
AIM
ESP

<r²>	11.632
(<r²>)^1/2	3.411

All results from a given calculation for BH4 (borohydride)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for BH₄ (borohydride)