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	hartrees
Energy at 0K	-224.179918
Energy at 298.15K	-224.181162
Nuclear repulsion energy	61.718950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2654	2615	83.89
2	A₁	1162	1144	106.54
3	A₁	518	510	20.41
4	B₁	877	864	55.85
5	B₂	1418	1397	392.39
6	B₂	1037	1022	0.00

Atom	y (Å)	z (Å)
B1	0.000	0.460
H2	0.000	1.660
F3	1.128	-0.220
F4	-1.128	-0.220

	B1	H2	F3	F4
B1		1.2001	1.3168	1.3168
H2	1.2001		2.1922	2.1922
F3	1.3168	2.1922		2.2557
F4	1.3168	2.1922	2.2557

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.076		H2	B1	F4	121.076
F3	B1	F4	117.847

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: LSDA/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	0.567
2	H	-0.005
3	F	-0.281
4	F	-0.281

	x	y	z	Total
	0.000	0.000	0.901	0.901
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for BHF2 (Difluoroborane)

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

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)