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	hartrees
Energy at 0K	-1518.570924
Energy at 298.15K	-1518.571628
Nuclear repulsion energy	358.530755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1027	1025	221.82
2	A₁	487	486	4.57
3	A₁	329	328	0.52
4	E	729	727	334.48
4	E	729	727	334.52
5	E	371	370	4.05
5	E	371	370	4.05
6	E	234	233	0.20
6	E	234	233	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.256
F2	0.000	0.000	1.607
Cl3	0.000	1.721	-0.314
Cl4	1.491	-0.861	-0.314
Cl5	-1.491	-0.861	-0.314

	C1	F2	Cl3	Cl4	Cl5
C1		1.3515	1.8129	1.8129	1.8129
F2	1.3515		2.5792	2.5792	2.5792
Cl3	1.8129	2.5792		2.9812	2.9812
Cl4	1.8129	2.5792	2.9812		2.9812
Cl5	1.8129	2.5792	2.9812	2.9812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.306	F2	C1	Cl4	108.306
F2	C1	Cl5	108.306	Cl3	C1	Cl4	110.611
Cl3	C1	Cl5	110.611	Cl4	C1	Cl5	110.611

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)

using model chemistry: BLYP/6-311G*

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	-0.032
2	F	-0.119
3	Cl	0.050
4	Cl	0.050
5	Cl	0.050

	x	y	z	Total
	0.000	0.000	-0.286	0.286
CHELPG
AIM
ESP

<r²>	210.158
(<r²>)^1/2	14.497

All results from a given calculation for CFCl3 (Trichloromonofluoromethane)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)