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	hartrees
Energy at 0K	-323.202551
Energy at 298.15K	-323.203449
HF Energy	-323.202551
Nuclear repulsion energy	111.457279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	888	888	0.00
2	A₂"	665	665	79.26
3	E'	1461	1461	411.69
3	E'	1461	1461	411.64
4	E'	464	464	11.39
4	E'	464	464	11.39

Atom	x (Å)	y (Å)
B1	0.000	0.000
F2	0.000	1.307
F3	1.132	-0.654
F4	-1.132	-0.654

	B1	F2	F3	F4
B1		1.3071	1.3071	1.3071
F2	1.3071		2.2639	2.2639
F3	1.3071	2.2639		2.2639
F4	1.3071	2.2639	2.2639

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	B1	F3	120.000		F2	B1	F4	120.000
F3	B1	F4	120.000

All results from a given calculation for BF₃ (Borane, trifluoro-)

using model chemistry: LSDA/aug-cc-pVQZ

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	1.601
2	F	-0.534
3	F	-0.534
4	F	-0.534

<r²>	58.994
(<r²>)^1/2	7.681

All results from a given calculation for BF3 (Borane, trifluoro-)

using model chemistry: LSDA/aug-cc-pVQZ

States and conformations

All results from a given calculation for BF₃ (Borane, trifluoro-)