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	hartrees
Energy at 0K	-222.000143
Energy at 298.15K	-222.001379
Nuclear repulsion energy	61.583017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3004	2653	26.68
2	A₁	1257	1110	35.19
3	A₁	560	495	11.92
4	B₁	935	826	48.55
5	B₂	1641	1449	178.43
6	B₂	1225	1081	2.95

Atom	y (Å)	z (Å)
B1	0.000	0.459
H2	0.000	1.640
F3	1.134	-0.218
F4	-1.134	-0.218

	B1	H2	F3	F4
B1		1.1812	1.3206	1.3206
H2	1.1812		2.1768	2.1768
F3	1.3206	2.1768		2.2676
F4	1.3206	2.1768	2.2676

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.843		H2	B1	F4	120.843
F3	B1	F4	118.314

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B1B95/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	0.295
2	H	-0.065
3	F	-0.115
4	F	-0.115

	x	y	z	Total
	0.000	0.000	-0.152	0.152
CHELPG
AIM
ESP

<r²>	36.523
(<r²>)^1/2	6.043

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)