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	hartrees
Energy at 0K	-681.078245
Energy at 298.15K
HF Energy	-680.964749
Nuclear repulsion energy	138.758655

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	1265	1265	379.09	1.10	0.16	0.27
2	A₁	660	660	59.13	5.40	0.11	0.21
3	A₁	417	417	3.20	2.76	0.49	0.66
4	B₁	588	588	64.69	2.55	0.75	0.86
5	B₂	1545	1545	251.06	0.08	0.75	0.86
6	B₂	344	344	8.11	3.27	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.446
Cl2	0.000	1.336
F3	1.149	-1.138
F4	-1.149	-1.138

	B1	Cl2	F3	F4
B1		1.7815	1.3416	1.3416
Cl2	1.7815		2.7277	2.7277
F3	1.3416	2.7277		2.2986
F4	1.3416	2.7277	2.2986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	121.060		Cl2	B1	F4	121.060
F3	B1	F4	117.880

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B2PLYP/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	0.688
2	Cl	-0.202
3	F	-0.243
4	F	-0.243

	x	y	z	Total
	0.000	0.000	-0.430	0.430
CHELPG
AIM
ESP

<r²>	96.534
(<r²>)^1/2	9.825

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)