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	hartrees
Energy at 0K	-65.251765
Energy at 298.15K	-65.252302
HF Energy	-65.251765
Nuclear repulsion energy	83.858296

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	444	444	0.00	24.46	0.00	0.00
2	E	217	217	0.00	9.42	0.75	0.86
2	E	217	217	0.00	9.42	0.75	0.86
3	T₂	796	796	198.61	2.74	0.75	0.86
3	T₂	796	796	198.61	2.74	0.75	0.86
3	T₂	796	796	198.61	2.74	0.75	0.86
4	T₂	316	316	0.11	11.63	0.75	0.86
4	T₂	316	316	0.11	11.63	0.75	0.86
4	T₂	316	316	0.11	11.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Cl2	1.064	1.064	1.064
Cl3	-1.064	-1.064	1.064
Cl4	-1.064	1.064	-1.064
Cl5	1.064	-1.064	-1.064

	C1	Cl2	Cl3	Cl4	Cl5
C1		1.8429	1.8429	1.8429	1.8429
Cl2	1.8429		3.0094	3.0094	3.0094
Cl3	1.8429	3.0094		3.0094	3.0094
Cl4	1.8429	3.0094	3.0094		3.0094
Cl5	1.8429	3.0094	3.0094	3.0094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.471	Cl2	C1	Cl4	109.471
Cl2	C1	Cl5	109.471	Cl3	C1	Cl4	109.471
Cl3	C1	Cl5	109.471	Cl4	C1	Cl5	109.471

All results from a given calculation for CCl₄ (Carbon tetrachloride)

using model chemistry: wB97X-D/CEP-31G

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	-0.663
2	Cl	0.166
3	Cl	0.166
4	Cl	0.166
5	Cl	0.166

<r²>	128.611
(<r²>)^1/2	11.341

All results from a given calculation for CCl4 (Carbon tetrachloride)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CCl₄ (Carbon tetrachloride)