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	hartrees
Energy at 0K	-223.946175
Energy at 298.15K	-223.947478
Nuclear repulsion energy	60.622231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2797	2689	117.18
2	A₁	1195	1148	78.67
3	A₁	535	515	20.80
4	B₁	957	919	70.70
5	B₂	1545	1485	267.92
6	B₂	1176	1130	0.01

Atom	y (Å)	z (Å)
B1	0.000	0.479
H2	0.000	1.664
F3	1.147	-0.225
F4	-1.147	-0.225

	B1	H2	F3	F4
B1		1.1856	1.3456	1.3456
H2	1.1856		2.2103	2.2103
F3	1.3456	2.2103		2.2936
F4	1.3456	2.2103	2.2936

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.542		H2	B1	F4	121.542
F3	B1	F4	116.916

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B3PW91/3-21G

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	0.577
2	H	-0.056
3	F	-0.261
4	F	-0.261

	x	y	z	Total
	0.000	0.000	0.914	0.914
CHELPG
AIM
ESP

<r²>	38.531
(<r²>)^1/2	6.207

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)