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	hartrees
Energy at 0K	-26.416526
Energy at 298.15K	-26.417945
HF Energy	-26.416526
Nuclear repulsion energy	7.366897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	2481	2440	0.00
2	A₂"	1092	1074	69.04
3	E'	2631	2589	98.41
3	E'	2631	2589	98.42
4	E'	1125	1107	7.53
4	E'	1125	1107	7.53

Atom	x (Å)	y (Å)
B1	0.000	0.000
H2	0.000	1.202
H3	1.041	-0.601
H4	-1.041	-0.601

	B1	H2	H3	H4
B1		1.2019	1.2019	1.2019
H2	1.2019		2.0817	2.0817
H3	1.2019	2.0817		2.0817
H4	1.2019	2.0817	2.0817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	H3	120.000		H2	B1	H4	120.000
H3	B1	H4	120.000

All results from a given calculation for BH₃ (boron trihydride)

using model chemistry: LSDA/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	-0.302
2	H	0.101
3	H	0.101
4	H	0.101

<r²>	9.802
(<r²>)^1/2	3.131

All results from a given calculation for BH3 (boron trihydride)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for BH₃ (boron trihydride)