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	hartrees
Energy at 0K	-681.537271
Energy at 298.15K
HF Energy	-681.537271
Nuclear repulsion energy	138.793108

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	1235	1227	360.89	0.90	0.19	0.32
2	A₁	666	662	42.87	5.57	0.09	0.17
3	A₁	415	412	3.02	2.33	0.52	0.69
4	B₁	578	575	35.03	1.38	0.75	0.86
5	B₂	1467	1457	186.79	0.01	0.75	0.86
6	B₂	343	340	4.02	2.61	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.429
Cl2	0.000	1.329
F3	1.155	-1.136
F4	-1.155	-1.136

	B1	Cl2	F3	F4
B1		1.7582	1.3542	1.3542
Cl2	1.7582		2.7220	2.7220
F3	1.3542	2.7220		2.3106
F4	1.3542	2.7220	2.3106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	121.446		Cl2	B1	F4	121.446
F3	B1	F4	117.107

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: BLYP/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	0.589
2	Cl	-0.209
3	F	-0.190
4	F	-0.190

	x	y	z	Total
	0.000	0.000	0.037	0.037
CHELPG
AIM
ESP

<r²>	95.787
(<r²>)^1/2	9.787

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)