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	hartrees
Energy at 0K	-27.124264
Energy at 298.15K	-27.127030
HF Energy	-27.124264
Nuclear repulsion energy	10.379577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2691	2546	31.07
2	A₁	2173	2056	97.03
3	A₁	1406	1330	40.62
4	A₁	1030	974	0.05
5	A₂	753	713	0.00
6	B₁	2813	2662	76.90
7	B₁	1058	1001	0.50
8	B₂	2036	1926	0.00
9	B₂	681	645	0.00

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.151
H2	0.000	0.516	-1.030
H3	0.000	-0.516	-1.030
H4	-1.067	0.000	0.654
H5	1.067	0.000	0.654

	B1	H2	H3	H4	H5
B1		1.2887	1.2887	1.1800	1.1800
H2	1.2887		1.0315	2.0594	2.0594
H3	1.2887	1.0315		2.0594	2.0594
H4	1.1800	2.0594	2.0594		2.1349
H5	1.1800	2.0594	2.0594	2.1349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	47.180	H2	B1	H4	112.991
H2	B1	H5	112.991	H3	B1	H4	112.991
H3	B1	H5	112.991	H4	B1	H5	129.547

All results from a given calculation for BH₄ (borohydride)

using model chemistry: M06-2X/TZVP

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	-0.218
2	H	0.078
3	H	0.078
4	H	0.031
5	H	0.031

	x	y	z	Total
	0.000	0.000	-1.344	1.344
CHELPG
AIM
ESP

<r²>	11.902
(<r²>)^1/2	3.450

All results from a given calculation for BH4 (borohydride)

using model chemistry: M06-2X/TZVP

States and conformations

All results from a given calculation for BH₄ (borohydride)