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	hartrees
Energy at 0K	-684.924620
Energy at 298.15K
HF Energy	-684.924620
Nuclear repulsion energy	140.718183

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	1184	1166	482.41	0.61	0.50	0.67
2	A₁	667	657	38.76	9.69	0.03	0.05
3	A₁	411	405	5.42	1.55	0.32	0.49
4	B₁	580	571	40.15	0.44	0.75	0.86
5	B₂	1377	1356	316.23	1.15	0.75	0.86
6	B₂	333	328	1.99	0.79	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.446
Cl2	0.000	1.312
F3	1.142	-1.115
F4	-1.142	-1.115

	B1	Cl2	F3	F4
B1		1.7571	1.3239	1.3239
Cl2	1.7571		2.6819	2.6819
F3	1.3239	2.6819		2.2842
F4	1.3239	2.6819	2.2842

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.377		Cl2	B1	F4	120.377
F3	B1	F4	119.245

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B97D3/aug-cc-pVTZ

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	0.762
2	Cl	0.025
3	F	-0.394
4	F	-0.394

	x	y	z	Total
	0.000	0.000	0.189	0.189
CHELPG
AIM
ESP

<r²>	93.647
(<r²>)^1/2	9.677

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)