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	hartrees
Energy at 0K	-27.093214
Energy at 298.15K	-27.095891
HF Energy	-27.093214
Nuclear repulsion energy	10.304057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2676	2552	42.17
2	A₁	2096	1999	89.59
3	A₁	1269	1210	27.27
4	A₁	873	833	4.62
5	A₂	587	559	0.00
6	B₁	2793	2664	99.41
7	B₁	1078	1028	0.30
8	B₂	1954	1864	2.93
9	B₂	774	738	0.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.136
H2	0.000	0.586	-1.010
H3	0.000	-0.586	-1.010
H4	-1.057	0.000	0.670
H5	1.057	0.000	0.670

	B1	H2	H3	H4	H5
B1		1.2869	1.2869	1.1845	1.1845
H2	1.2869		1.1728	2.0693	2.0693
H3	1.2869	1.1728		2.0693	2.0693
H4	1.1845	2.0693	2.0693		2.1147
H5	1.1845	2.0693	2.0693	2.1147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	54.215	H2	B1	H4	113.654
H2	B1	H5	113.654	H3	B1	H4	113.654
H3	B1	H5	113.654	H4	B1	H5	126.420

All results from a given calculation for BH₄ (borohydride)

using model chemistry: B1B95/6-31G

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	-0.175
2	H	0.059
3	H	0.059
4	H	0.029
5	H	0.029

	x	y	z	Total
	0.000	0.000	-1.206	1.206
CHELPG
AIM
ESP

<r²>	11.793
(<r²>)^1/2	3.434

All results from a given calculation for BH4 (borohydride)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for BH₄ (borohydride)