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	hartrees
Energy at 0K	-683.241819
Energy at 298.15K
HF Energy	-683.241819
Nuclear repulsion energy	142.012075

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	1300	1180	593.80	0.44	0.60	0.75
2	A₁	729	662	39.33	2.62	0.11	0.20
3	A₁	450	409	9.63	1.16	0.52	0.69
4	B₁	641	582	87.90	0.97	0.75	0.86
5	B₂	1500	1362	396.15	0.00	0.75	0.86
6	B₂	362	329	4.94	1.24	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.443
Cl2	0.000	1.303
F3	1.128	-1.107
F4	-1.128	-1.107

	B1	Cl2	F3	F4
B1		1.7462	1.3086	1.3086
Cl2	1.7462		2.6610	2.6610
F3	1.3086	2.6610		2.2551
F4	1.3086	2.6610	2.2551

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.497		Cl2	B1	F4	120.497
F3	B1	F4	119.007

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: HF/cc-pVDZ

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	0.521
2	Cl	-0.158
3	F	-0.181
4	F	-0.181

	x	y	z	Total
	0.000	0.000	0.175	0.175
CHELPG
AIM
ESP

<r²>	92.436
(<r²>)^1/2	9.614

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)