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	hartrees
Energy at 0K	-26.546317
Energy at 298.15K	-26.547746
HF Energy	-26.546317
Nuclear repulsion energy	7.363512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	2517	2488	0.00
2	A₂"	1118	1105	78.75
3	E'	2652	2622	130.07
3	E'	2652	2622	130.12
4	E'	1157	1144	9.75
4	E'	1157	1144	9.75

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		1.2024	1.2024	1.2024
H2	1.2024		2.0827	2.0827
H3	1.2024	2.0827		2.0827
H4	1.2024	2.0827	2.0827

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: PBEPBE/6-31+G**

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	-0.027
2	H	0.009
3	H	0.009
4	H	0.009

<r²>	9.763
(<r²>)^1/2	3.125

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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