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	hartrees
Energy at 0K	-27.146794
Energy at 298.15K	-27.149557
HF Energy	-27.146794
Nuclear repulsion energy	10.365357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2648	2540	32.30
2	A₁	2161	2073	82.37
3	A₁	1406	1349	44.03
4	A₁	1019	978	0.03
5	A₂	714	685	0.00
6	B₁	2768	2655	74.91
7	B₁	1048	1005	0.34
8	B₂	2054	1970	0.30
9	B₂	713	684	0.08

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.149
H2	0.000	0.525	-1.025
H3	0.000	-0.525	-1.025
H4	-1.070	0.000	0.654
H5	1.070	0.000	0.654

	B1	H2	H3	H4	H5
B1		1.2862	1.2862	1.1833	1.1833
H2	1.2862		1.0503	2.0592	2.0592
H3	1.2862	1.0503		2.0592	2.0592
H4	1.1833	2.0592	2.0592		2.1402
H5	1.1833	2.0592	2.0592	2.1402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	48.198	H2	B1	H4	112.933
H2	B1	H5	112.933	H3	B1	H4	112.933
H3	B1	H5	112.933	H4	B1	H5	129.464

All results from a given calculation for BH₄ (borohydride)

using model chemistry: mPW1PW91/cc-pVTZ

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	-0.368
2	H	0.129
3	H	0.129
4	H	0.055
5	H	0.055

	x	y	z	Total
	0.000	0.000	-1.352	1.352
CHELPG
AIM
ESP

<r²>	11.831
(<r²>)^1/2	3.440

All results from a given calculation for BH4 (borohydride)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)