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	hartrees
Energy at 0K	-225.253983
Energy at 298.15K	-225.255244
HF Energy	-225.253983
Nuclear repulsion energy	61.260313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2750	2647	103.02
2	A₁	1142	1099	116.89
3	A₁	521	501	20.78
4	B₁	919	884	73.10
5	B₂	1391	1339	423.63
6	B₂	1093	1052	0.85

Atom	y (Å)	z (Å)
B1	0.000	0.459
H2	0.000	1.646
F3	1.137	-0.219
F4	-1.137	-0.219

	B1	H2	F3	F4
B1		1.1869	1.3239	1.3239
H2	1.1869		2.1844	2.1844
F3	1.3239	2.1844		2.2738
F4	1.3239	2.1844	2.2738

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.821		H2	B1	F4	120.821
F3	B1	F4	118.358

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: TPSSh/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	0.687
2	H	-0.038
3	F	-0.324
4	F	-0.324

	x	y	z	Total
	0.000	0.000	0.993	0.993
CHELPG
AIM
ESP

<r²>	38.220
(<r²>)^1/2	6.182

All results from a given calculation for BHF2 (Difluoroborane)

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

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)