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	hartrees
Energy at 0K	-26.887940
Energy at 298.15K	-26.890816
HF Energy	-26.887940
Nuclear repulsion energy	10.318845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2696	2307	63.65
2	A₁	2154	1843	138.82
3	A₁	1372	1174	44.84
4	A₁	980	838	1.93
5	A₂	926	792	0.00
6	B₁	2801	2396	138.70
7	B₁	1123	960	3.30
8	B₂	2011	1721	1.30
9	B₂	855	732	3.18

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.139
H2	0.000	0.568	-1.016
H3	0.000	-0.568	-1.016
H4	-1.060	0.000	0.667
H5	1.060	0.000	0.667

	B1	H2	H3	H4	H5
B1		1.2873	1.2873	1.1841	1.1841
H2	1.2873		1.1352	2.0685	2.0685
H3	1.2873	1.1352		2.0685	2.0685
H4	1.1841	2.0685	2.0685		2.1200
H5	1.1841	2.0685	2.0685	2.1200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	52.325	H2	B1	H4	113.578
H2	B1	H5	113.578	H3	B1	H4	113.578
H3	B1	H5	113.578	H4	B1	H5	127.069

All results from a given calculation for BH₄ (borohydride)

using model chemistry: ROHF/6-311G*

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	-0.415
2	H	0.134
3	H	0.134
4	H	0.074
5	H	0.074

	x	y	z	Total
	0.000	0.000	-1.201	1.201
CHELPG
AIM
ESP

<r²>	12.037
(<r²>)^1/2	3.469

All results from a given calculation for BH4 (borohydride)

using model chemistry: ROHF/6-311G*

States and conformations

All results from a given calculation for BH₄ (borohydride)