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	hartrees
Energy at 0K	-684.810158
Energy at 298.15K
HF Energy	-684.810158
Nuclear repulsion energy	141.521051

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	1255	1191	495.38	0.69	0.19	0.32
2	A₁	699	663	38.80	4.19	0.09	0.16
3	A₁	426	404	5.74	1.37	0.51	0.68
4	B₁	598	567	57.83	1.63	0.75	0.86
5	B₂	1474	1398	333.26	0.00	0.75	0.86
6	B₂	345	327	3.71	1.92	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.446
Cl2	0.000	1.305
F3	1.134	-1.109
F4	-1.134	-1.109

	B1	Cl2	F3	F4
B1		1.7516	1.3139	1.3139
Cl2	1.7516		2.6676	2.6676
F3	1.3139	2.6676		2.2689
F4	1.3139	2.6676	2.2689

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.296		Cl2	B1	F4	120.296
F3	B1	F4	119.408

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: wB97X-D/6-31G*

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	0.542
2	Cl	-0.154
3	F	-0.194
4	F	-0.194

	x	y	z	Total
	0.000	0.000	-0.207	0.207
CHELPG
AIM
ESP

<r²>	92.526
(<r²>)^1/2	9.619

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)