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	hartrees
Energy at 0K	-224.178426
Energy at 298.15K	-224.179703
Nuclear repulsion energy	62.332622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2628	2586	77.61
2	A₁	1201	1182	82.23
3	A₁	539	531	16.66
4	B₁	901	887	50.90
5	B₂	1487	1463	286.00
6	B₂	1060	1043	0.60

Atom	y (Å)	z (Å)
B1	0.000	0.453
H2	0.000	1.654
F3	1.116	-0.218
F4	-1.116	-0.218

	B1	H2	F3	F4
B1		1.2009	1.3026	1.3026
H2	1.2009		2.1797	2.1797
F3	1.3026	2.1797		2.2327
F4	1.3026	2.1797	2.2327

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.016		H2	B1	F4	121.016
F3	B1	F4	117.968

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: LSDA/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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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
You are here: Calculated > Energy > Optimized > Energy

Number	Element	Mulliken
1	B	-0.190
2	H	-0.055
3	F	0.122
4	F	0.122

	x	y	z	Total
	0.000	0.000	0.556	0.556
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)