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	hartrees
Energy at 0K	-684.676307
Energy at 298.15K
HF Energy	-684.676307
Nuclear repulsion energy	142.079820

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	1249	1249	496.63	0.52	0.59	0.74
2	A₁	699	699	36.78	5.08	0.05	0.09
3	A₁	424	424	7.21	1.25	0.42	0.59
4	B₁	598	598	47.02	0.65	0.75	0.86
5	B₂	1443	1443	328.23	0.28	0.75	0.86
6	B₂	341	341	2.29	1.06	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.440
Cl2	0.000	1.300
F3	1.130	-1.105
F4	-1.130	-1.105

	B1	Cl2	F3	F4
B1		1.7402	1.3110	1.3110
Cl2	1.7402		2.6575	2.6575
F3	1.3110	2.6575		2.2594
F4	1.3110	2.6575	2.2594

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.492		Cl2	B1	F4	120.492
F3	B1	F4	119.017

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: HSEh1PBE/Def2TZVPP

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	0.536
2	Cl	-0.118
3	F	-0.209
4	F	-0.209

	x	y	z	Total
	0.000	0.000	0.289	0.289
CHELPG
AIM
ESP

<r²>	92.116
(<r²>)^1/2	9.598

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)