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	hartrees
Energy at 0K	-1517.957527
Energy at 298.15K	-1517.958507
HF Energy	-1517.957527
Nuclear repulsion energy	366.539094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1110	1060	216.52
2	A₁	543	519	2.56
3	A₁	359	343	0.10
4	E	849	810	293.28
4	E	848	810	293.29
5	E	403	385	0.00
5	E	403	385	0.00
6	E	249	238	0.05
6	E	249	238	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.239
F2	0.000	0.000	1.582
Cl3	0.000	1.681	-0.307
Cl4	1.456	-0.840	-0.307
Cl5	-1.456	-0.840	-0.307

	C1	F2	Cl3	Cl4	Cl5
C1		1.3433	1.7673	1.7673	1.7673
F2	1.3433		2.5290	2.5290	2.5290
Cl3	1.7673	2.5290		2.9111	2.9111
Cl4	1.7673	2.5290	2.9111		2.9111
Cl5	1.7673	2.5290	2.9111	2.9111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.009	F2	C1	Cl4	108.009
F2	C1	Cl5	108.009	Cl3	C1	Cl4	110.893
Cl3	C1	Cl5	110.893	Cl4	C1	Cl5	110.893

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.209
2	F	-0.116
3	Cl	0.108
4	Cl	0.108
5	Cl	0.108

	x	y	z	Total
	0.000	0.000	-0.447	0.447
CHELPG
AIM
ESP

<r²>	201.671
(<r²>)^1/2	14.201

All results from a given calculation for CFCl3 (Trichloromonofluoromethane)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)