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	hartrees
Energy at 0K	-27.123691
Energy at 298.15K	-27.126382
HF Energy	-27.123691
Nuclear repulsion energy	10.295228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2589	2583	33.36
2	A₁	2070	2065	84.28
3	A₁	1305	1302	36.94
4	A₁	949	946	1.30
5	A₂	609	607	0.00
6	B₁	2705	2698	85.01
7	B₁	1038	1035	0.64
8	B₂	1901	1897	0.01
9	B₂	721	719	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.146
H2	0.000	0.545	-1.028
H3	0.000	-0.545	-1.028
H4	-1.071	0.000	0.662
H5	1.071	0.000	0.662

	B1	H2	H3	H4	H5
B1		1.2945	1.2945	1.1881	1.1881
H2	1.2945		1.0906	2.0729	2.0729
H3	1.2945	1.0906		2.0729	2.0729
H4	1.1881	2.0729	2.0729		2.1413
H5	1.1881	2.0729	2.0729	2.1413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.825	H2	B1	H4	113.154
H2	B1	H5	113.154	H3	B1	H4	113.154
H3	B1	H5	113.154	H4	B1	H5	128.615

All results from a given calculation for BH₄ (borohydride)

using model chemistry: BLYP/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	-0.177
2	H	0.072
3	H	0.072
4	H	0.016
5	H	0.016

	x	y	z	Total
	0.000	0.000	-1.310	1.310
CHELPG
AIM
ESP

<r²>	12.060
(<r²>)^1/2	3.473

All results from a given calculation for BH4 (borohydride)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for BH₄ (borohydride)