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	hartrees
Energy at 0K	-1517.898264
Energy at 298.15K	-1517.899092
Nuclear repulsion energy	362.456253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1060	1050	222.52
2	A₁	510	505	4.39
3	A₁	341	338	0.38
4	E	766	759	340.00
4	E	766	759	339.99
5	E	384	381	2.21
5	E	384	381	2.21
6	E	240	238	0.15
6	E	240	238	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.251
F2	0.000	0.000	1.596
Cl3	0.000	1.701	-0.311
Cl4	1.473	-0.850	-0.311
Cl5	-1.473	-0.850	-0.311

	C1	F2	Cl3	Cl4	Cl5
C1		1.3452	1.7912	1.7912	1.7912
F2	1.3452		2.5556	2.5556	2.5556
Cl3	1.7912	2.5556		2.9454	2.9454
Cl4	1.7912	2.5556	2.9454		2.9454
Cl5	1.7912	2.5556	2.9454	2.9454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.303	F2	C1	Cl4	108.303
F2	C1	Cl5	108.303	Cl3	C1	Cl4	110.614
Cl3	C1	Cl5	110.614	Cl4	C1	Cl5	110.614

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)

using model chemistry: PBEPBE/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	-0.087
2	F	-0.107
3	Cl	0.065
4	Cl	0.065
5	Cl	0.065

	x	y	z	Total
	0.000	0.000	-0.295	0.295
CHELPG
AIM
ESP

<r²>	205.921
(<r²>)^1/2	14.350

All results from a given calculation for CFCl3 (Trichloromonofluoromethane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)