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	hartrees
Energy at 0K	-225.073837
Energy at 298.15K	-225.075091
Nuclear repulsion energy	61.234496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2637	2613	100.33
2	A₁	1122	1111	104.68
3	A₁	522	518	18.38
4	B₁	904	896	57.67
5	B₂	1367	1354	346.15
6	B₂	1054	1044	0.02

Atom	y (Å)	z (Å)
B1	0.000	0.464
H2	0.000	1.660
F3	1.138	-0.221
F4	-1.138	-0.221

	B1	H2	F3	F4
B1		1.1964	1.3281	1.3281
H2	1.1964		2.1985	2.1985
F3	1.3281	2.1985		2.2762
F4	1.3281	2.1985	2.2762

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.028		H2	B1	F4	121.028
F3	B1	F4	117.943

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: PBEPBE/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	0.327
2	H	-0.077
3	F	-0.125
4	F	-0.125

	x	y	z	Total
	0.000	0.000	0.731	0.731
CHELPG
AIM
ESP

<r²>	38.107
(<r²>)^1/2	6.173

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)