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	hartrees
Energy at 0K	-26.542533
Energy at 298.15K	-26.543960
HF Energy	-26.542533
Nuclear repulsion energy	7.322023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	2488	2473	0.00
2	A₂"	1113	1106	68.16
3	E'	2633	2617	116.96
3	E'	2633	2617	116.97
4	E'	1138	1131	11.43
4	E'	1138	1131	11.43

Atom	x (Å)	y (Å)
B1	0.000	0.000
H2	0.000	1.209
H3	1.047	-0.605
H4	-1.047	-0.605

	B1	H2	H3	H4
B1		1.2093	1.2093	1.2093
H2	1.2093		2.0945	2.0945
H3	1.2093	2.0945		2.0945
H4	1.2093	2.0945	2.0945

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: PBEPBEultrafine/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	-1.747
2	H	0.582
3	H	0.582
4	H	0.582

<r²>	9.854
(<r²>)^1/2	3.139

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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