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	hartrees
Energy at 0K	-222.023156
Energy at 298.15K	-222.024387
Nuclear repulsion energy	61.431002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2987	2665	29.07
2	A₁	1244	1110	33.89
3	A₁	558	498	11.60
4	B₁	932	831	48.20
5	B₂	1624	1449	176.67
6	B₂	1224	1092	2.91

Atom	y (Å)	z (Å)
B1	0.000	0.459
H2	0.000	1.641
F3	1.137	-0.219
F4	-1.137	-0.219

	B1	H2	F3	F4
B1		1.1823	1.3238	1.3238
H2	1.1823		2.1800	2.1800
F3	1.3238	2.1800		2.2744
F4	1.3238	2.1800	2.2744

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.788		H2	B1	F4	120.788
F3	B1	F4	118.425

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B3LYP/STO-3G

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	0.291
2	H	-0.069
3	F	-0.111
4	F	-0.111

	x	y	z	Total
	0.000	0.000	-0.181	0.181
CHELPG
AIM
ESP

<r²>	36.675
(<r²>)^1/2	6.056

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)