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	hartrees
Energy at 0K	-324.725491
Energy at 298.15K	-324.726415
HF Energy	-324.725491
Nuclear repulsion energy	110.919276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	885	885	0.00
2	A₂"	685	685	96.38
3	E'	1445	1445	426.56
3	E'	1445	1445	426.62
4	E'	475	475	12.22
4	E'	475	475	12.23

Atom	x (Å)	y (Å)
B1	0.000	0.000
F2	0.000	1.313
F3	1.137	-0.657
F4	-1.137	-0.657

	B1	F2	F3	F4
B1		1.3134	1.3134	1.3134
F2	1.3134		2.2749	2.2749
F3	1.3134	2.2749		2.2749
F4	1.3134	2.2749	2.2749

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: B3LYPultrafine/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	0.835
2	F	-0.278
3	F	-0.278
4	F	-0.278

<r²>	59.455
(<r²>)^1/2	7.711

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

using model chemistry: B3LYPultrafine/cc-pVQZ

States and conformations

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