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	hartrees
Energy at 0K	-1878.259726
Energy at 298.15K	-1878.260286
HF Energy	-1877.971248
Nuclear repulsion energy	437.770827

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	462	441	0.00	16.78	0.00	0.00
2	E	218	208	0.00	2.83	0.75	0.86
2	E	218	208	0.00	2.83	0.75	0.86
3	T₂	785	749	163.71	3.04	0.75	0.86
3	T₂	785	749	163.71	3.04	0.75	0.86
3	T₂	785	749	163.71	3.04	0.75	0.86
4	T₂	317	303	0.05	3.67	0.75	0.86
4	T₂	317	303	0.05	3.67	0.75	0.86
4	T₂	317	303	0.05	3.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Cl2	1.026	1.026	1.026
Cl3	-1.026	-1.026	1.026
Cl4	-1.026	1.026	-1.026
Cl5	1.026	-1.026	-1.026

	C1	Cl2	Cl3	Cl4	Cl5
C1		1.7768	1.7768	1.7768	1.7768
Cl2	1.7768		2.9014	2.9014	2.9014
Cl3	1.7768	2.9014		2.9014	2.9014
Cl4	1.7768	2.9014	2.9014		2.9014
Cl5	1.7768	2.9014	2.9014	2.9014

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: B2PLYP/6-31G(2df,p)

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	0.104
2	Cl	-0.026
3	Cl	-0.026
4	Cl	-0.026
5	Cl	-0.026

<r²>	248.809
(<r²>)^1/2	15.774

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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