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	hartrees
Energy at 0K	-1501.559867
Energy at 298.15K	-1501.560365
Nuclear repulsion energy	348.605170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1314	1173	145.79
2	A₁	528	471	11.69
3	A₁	311	277	3.52
4	E	856	764	234.88
4	E	856	764	234.86
5	E	372	332	0.16
5	E	372	332	0.16
6	E	214	191	0.71
6	E	214	191	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.307
F2	0.000	0.000	1.664
Cl3	0.000	1.765	-0.330
Cl4	1.529	-0.883	-0.330
Cl5	-1.529	-0.883	-0.330

	C1	F2	Cl3	Cl4	Cl5
C1		1.3565	1.8768	1.8768	1.8768
F2	1.3565		2.6629	2.6629	2.6629
Cl3	1.8768	2.6629		3.0577	3.0577
Cl4	1.8768	2.6629	3.0577		3.0577
Cl5	1.8768	2.6629	3.0577	3.0577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	109.844	F2	C1	Cl4	109.844
F2	C1	Cl5	109.844	Cl3	C1	Cl4	109.096
Cl3	C1	Cl5	109.096	Cl4	C1	Cl5	109.096

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)

using model chemistry: B3LYP/STO-3G

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	C	0.212
2	F	0.015
3	Cl	-0.076
4	Cl	-0.076
5	Cl	-0.076

	x	y	z	Total
	0.000	0.000	1.410	1.410
CHELPG
AIM
ESP

<r²>	218.269
(<r²>)^1/2	14.774

All results from a given calculation for CFCl3 (Trichloromonofluoromethane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)