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	hartrees
Energy at 0K	-681.126790
Energy at 298.15K
HF Energy	-681.126790
Nuclear repulsion energy	139.331759

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	1277	1230	386.44	0.94	0.16	0.28
2	A₁	667	642	54.49	4.96	0.11	0.21
3	A₁	417	401	3.80	2.38	0.52	0.68
4	B₁	586	565	61.37	2.54	0.75	0.86
5	B₂	1550	1493	251.58	0.10	0.75	0.86
6	B₂	343	330	7.58	3.09	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.441
Cl2	0.000	1.329
F3	1.146	-1.132
F4	-1.146	-1.132

	B1	Cl2	F3	F4
B1		1.7696	1.3388	1.3388
Cl2	1.7696		2.7149	2.7149
F3	1.3388	2.7149		2.2927
F4	1.3388	2.7149	2.2927

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	121.097		Cl2	B1	F4	121.097
F3	B1	F4	117.806

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: HSEh1PBE/3-21G

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	0.663
2	Cl	-0.191
3	F	-0.236
4	F	-0.236

	x	y	z	Total
	0.000	0.000	-0.390	0.390
CHELPG
AIM
ESP

<r²>	95.711
(<r²>)^1/2	9.783

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)