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	hartrees
Energy at 0K	-684.974817
Energy at 298.15K
HF Energy	-684.974817
Nuclear repulsion energy	140.057386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1177	1174	487.97	0.60	0.40	0.57
2	A₁	661	660	39.10	5.90	0.06	0.11
3	A₁	406	405	5.78	2.16	0.51	0.68
4	B₁	570	568	43.32	1.35	0.75	0.86
5	B₂	1370	1366	345.69	0.26	0.75	0.86
6	B₂	330	329	2.46	2.17	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.448
Cl2	0.000	1.319
F3	1.146	-1.121
F4	-1.146	-1.121

	B1	Cl2	F3	F4
B1		1.7661	1.3296	1.3296
Cl2	1.7661		2.6955	2.6955
F3	1.3296	2.6955		2.2929
F4	1.3296	2.6955	2.2929

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.429		Cl2	B1	F4	120.429
F3	B1	F4	119.142

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: BLYP/TZVP

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	0.419
2	Cl	-0.086
3	F	-0.166
4	F	-0.166

	x	y	z	Total
	0.000	0.000	0.228	0.228
CHELPG
AIM
ESP

<r²>	94.606
(<r²>)^1/2	9.727

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)