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	hartrees
Energy at 0K	-683.296527
Energy at 298.15K
HF Energy	-683.296527
Nuclear repulsion energy	142.765452

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	1297	1178	624.12	0.35	0.72	0.84
2	A₁	732	665	52.63	2.54	0.12	0.21
3	A₁	453	412	8.85	1.23	0.54	0.70
4	B₁	641	582	91.22	1.28	0.75	0.86
5	B₂	1514	1376	417.06	0.04	0.75	0.86
6	B₂	364	331	5.30	1.52	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.449
Cl2	0.000	1.299
F3	1.119	-1.102
F4	-1.119	-1.102

	B1	Cl2	F3	F4
B1		1.7477	1.2959	1.2959
Cl2	1.7477		2.6489	2.6489
F3	1.2959	2.6489		2.2387
F4	1.2959	2.6489	2.2387

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.259		Cl2	B1	F4	120.259
F3	B1	F4	119.482

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: HF/6-311G**

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	0.637
2	Cl	-0.198
3	F	-0.220
4	F	-0.220

	x	y	z	Total
	0.000	0.000	-0.090	0.090
CHELPG
AIM
ESP

<r²>	91.934
(<r²>)^1/2	9.588

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)