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	hartrees
Energy at 0K	-684.628294
Energy at 298.15K
HF Energy	-684.423190
Nuclear repulsion energy	140.440879

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	1208	1208	496.22	0.44	0.72	0.84
2	A₁	678	678	24.67	8.41	0.03	0.06
3	A₁	408	408	9.07	1.29	0.41	0.58
4	B₁	593	593	46.21	0.47	0.75	0.86
5	B₂	1375	1375	328.45	0.87	0.75	0.86
6	B₂	336	336	2.28	0.89	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.439
Cl2	0.000	1.312
F3	1.146	-1.117
F4	-1.146	-1.117

	B1	Cl2	F3	F4
B1		1.7509	1.3317	1.3317
Cl2	1.7509		2.6857	2.6857
F3	1.3317	2.6857		2.2925
F4	1.3317	2.6857	2.2925

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.603		Cl2	B1	F4	120.603
F3	B1	F4	118.794

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B2PLYP/aug-cc-pVDZ

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	0.905
2	Cl	-0.159
3	F	-0.373
4	F	-0.373

	x	y	z	Total
	0.000	0.000	0.314	0.314
CHELPG
AIM
ESP

<r²>	94.159
(<r²>)^1/2	9.704

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)