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	hartrees
Energy at 0K	-684.764088
Energy at 298.15K
HF Energy	-684.764088
Nuclear repulsion energy	141.401669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1232	1183	529.18
2	A₁	693	665	35.85
3	A₁	419	402	7.90
4	B₁	591	567	53.51
5	B₂	1422	1366	367.73
6	B₂	340	327	2.71

Atom	y (Å)	z (Å)
B1	0.000	-0.441
Cl2	0.000	1.304
F3	1.138	-1.109
F4	-1.138	-1.109

	B1	Cl2	F3	F4
B1		1.7454	1.3193	1.3193
Cl2	1.7454		2.6680	2.6680
F3	1.3193	2.6680		2.2755
F4	1.3193	2.6680	2.2755

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.411		Cl2	B1	F4	120.411
F3	B1	F4	119.178

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B3PW91/6-31+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	0.669
2	Cl	-0.059
3	F	-0.305
4	F	-0.305

	x	y	z	Total
	0.000	0.000	0.215	0.215
CHELPG
AIM
ESP

<r²>	92.982
(<r²>)^1/2	9.643

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)