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	hartrees
Energy at 0K	-684.972114
Energy at 298.15K
HF Energy	-684.972114
Nuclear repulsion energy	142.230506

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	1245	1193	549.50	0.49	0.48	0.65
2	A₁	703	674	38.37	3.98	0.10	0.18
3	A₁	427	410	7.40	1.49	0.57	0.73
4	B₁	595	571	53.71	1.49	0.75	0.86
5	B₂	1443	1384	351.51	0.00	0.75	0.86
6	B₂	342	328	3.43	1.94	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.441
Cl2	0.000	1.297
F3	1.131	-1.103
F4	-1.131	-1.103

	B1	Cl2	F3	F4
B1		1.7376	1.3103	1.3103
Cl2	1.7376		2.6528	2.6528
F3	1.3103	2.6528		2.2613
F4	1.3103	2.6528	2.2613

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.354		Cl2	B1	F4	120.354
F3	B1	F4	119.292

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B1B95/6-311G*

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	0.443
2	Cl	-0.151
3	F	-0.146
4	F	-0.146

	x	y	z	Total
	0.000	0.000	-0.012	0.012
CHELPG
AIM
ESP

<r²>	91.995
(<r²>)^1/2	9.591

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)