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	hartrees
Energy at 0K	-683.345468
Energy at 298.15K
HF Energy	-683.345468
Nuclear repulsion energy	142.827314

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	1313	1195	564.87	0.64	0.14	0.24
2	A₁	731	665	53.84	5.98	0.03	0.05
3	A₁	452	412	7.50	1.12	0.28	0.43
4	B₁	641	583	74.22	0.35	0.75	0.86
5	B₂	1538	1400	372.76	0.31	0.75	0.86
6	B₂	363	330	3.36	0.51	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.450
Cl2	0.000	1.301
F3	1.116	-1.104
F4	-1.116	-1.104

	B1	Cl2	F3	F4
B1		1.7504	1.2932	1.2932
Cl2	1.7504		2.6506	2.6506
F3	1.2932	2.6506		2.2311
F4	1.2932	2.6506	2.2311

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.382		Cl2	B1	F4	120.382
F3	B1	F4	119.236

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: HF/aug-cc-pVTZ

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	0.862
2	Cl	-0.053
3	F	-0.404
4	F	-0.404

	x	y	z	Total
	0.000	0.000	0.128	0.128
CHELPG
AIM
ESP

<r²>	91.764
(<r²>)^1/2	9.579

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)