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	hartrees
Energy at 0K	-684.571250
Energy at 298.15K
HF Energy	-684.388394
Nuclear repulsion energy	141.245159

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	1233	1174	537.48	0.45	0.60	0.75
2	A₁	696	663	33.42	6.21	0.05	0.10
3	A₁	422	402	8.87	1.71	0.55	0.71
4	B₁	596	568	56.79	1.37	0.75	0.86
5	B₂	1412	1345	371.81	0.37	0.75	0.86
6	B₂	344	327	2.92	1.77	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.439
Cl2	0.000	1.305
F3	1.140	-1.110
F4	-1.140	-1.110

	B1	Cl2	F3	F4
B1		1.7433	1.3229	1.3229
Cl2	1.7433		2.6703	2.6703
F3	1.3229	2.6703		2.2797
F4	1.3229	2.6703	2.2797

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.501		Cl2	B1	F4	120.501
F3	B1	F4	118.999

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B2PLYP/6-31+G**

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	0.741
2	Cl	-0.072
3	F	-0.334
4	F	-0.334

	x	y	z	Total
	0.000	0.000	0.288	0.288
CHELPG
AIM
ESP

<r²>	93.344
(<r²>)^1/2	9.661

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)