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	hartrees
Energy at 0K	-26.891550
Energy at 298.15K	-26.894424
HF Energy	-26.891550
Nuclear repulsion energy	10.294508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2711	2711	55.06
2	A₁	2181	2181	143.03
3	A₁	1413	1413	58.79
4	A₁	996	996	3.22
5	A₂	944	944	0.00
6	B₁	2825	2825	116.77
7	B₁	1104	1104	2.82
8	B₂	2067	2067	1.52
9	B₂	807	807	0.40

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.149
H2	0.000	0.527	-1.037
H3	0.000	-0.527	-1.037
H4	-1.071	0.000	0.665
H5	1.071	0.000	0.665

	B1	H2	H3	H4	H5
B1		1.2980	1.2980	1.1890	1.1890
H2	1.2980		1.0544	2.0789	2.0789
H3	1.2980	1.0544		2.0789	2.0789
H4	1.1890	2.0789	2.0789		2.1426
H5	1.1890	2.0789	2.0789	2.1426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	47.929	H2	B1	H4	113.350
H2	B1	H5	113.350	H3	B1	H4	113.350
H3	B1	H5	113.350	H4	B1	H5	128.590

All results from a given calculation for BH₄ (borohydride)

using model chemistry: ROHF/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	-1.300
2	H	0.340
3	H	0.340
4	H	0.310
5	H	0.310

	x	y	z	Total
	0.000	0.000	-1.277	1.277
CHELPG
AIM
ESP

<r²>	12.085
(<r²>)^1/2	3.476

All results from a given calculation for BH4 (borohydride)

using model chemistry: ROHF/aug-cc-pVDZ

States and conformations

All results from a given calculation for BH₄ (borohydride)