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	hartrees
Energy at 0K	-684.879045
Energy at 298.15K
HF Energy	-684.879045
Nuclear repulsion energy	142.004563

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	1267	1203	494.52	0.69	0.22	0.36
2	A₁	704	668	38.91	4.51	0.09	0.16
3	A₁	427	406	5.77	1.37	0.52	0.68
4	B₁	596	566	52.27	1.71	0.75	0.86
5	B₂	1490	1415	325.47	0.00	0.75	0.86
6	B₂	345	327	3.44	1.94	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.442
Cl2	0.000	1.300
F3	1.132	-1.105
F4	-1.132	-1.105

	B1	Cl2	F3	F4
B1		1.7418	1.3115	1.3115
Cl2	1.7418		2.6577	2.6577
F3	1.3115	2.6577		2.2631
F4	1.3115	2.6577	2.2631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.369		Cl2	B1	F4	120.369
F3	B1	F4	119.263

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B1B95/6-31G*

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	0.520
2	Cl	-0.143
3	F	-0.189
4	F	-0.189

	x	y	z	Total
	0.000	0.000	-0.128	0.128
CHELPG
AIM
ESP

<r²>	91.894
(<r²>)^1/2	9.586

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)