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	hartrees
Energy at 0K	-225.211340
Energy at 298.15K	-225.212596
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2737	2622	75.56
2	A₁	1138	1090	117.29
3	A₁	510	489	20.16
4	B₁	919	881	61.20
5	B₂	1379	1321	397.24
6	B₂	1069	1024	0.93

Atom	y (Å)	z (Å)
B1	0.000	0.468
H2	0.000	1.659
F3	1.134	-0.222
F4	-1.134	-0.222

	B1	H2	F3	F4
B1		1.1911	1.3275	1.3275
H2	1.1911		2.1963	2.1963
F3	1.3275	2.1963		2.2688
F4	1.3275	2.1963	2.2688

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.296		H2	B1	F4	121.296
F3	B1	F4	117.407

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B1B95/aug-cc-pVDZ

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	0.337
2	H	0.392
3	F	-0.365
4	F	-0.365

	x	y	z	Total
	0.000	0.000	0.993	0.993
CHELPG
AIM
ESP

<r²>	38.065
(<r²>)^1/2	6.170

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)