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	hartrees
Energy at 0K	-1878.135931
Energy at 298.15K	-1878.136365
HF Energy	-1878.135931
Nuclear repulsion energy	433.689880

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	442	438	0.00	18.54	0.00	0.00
2	E	216	215	0.00	5.86	0.75	0.86
2	E	216	215	0.00	5.86	0.75	0.86
3	T₂	708	701	232.85	1.18	0.75	0.86
3	T₂	708	701	232.85	1.18	0.75	0.86
3	T₂	708	701	232.85	1.18	0.75	0.86
4	T₂	311	308	1.54	7.75	0.75	0.86
4	T₂	311	308	1.54	7.75	0.75	0.86
4	T₂	311	308	1.54	7.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Cl2	1.035	1.035	1.035
Cl3	-1.035	-1.035	1.035
Cl4	-1.035	1.035	-1.035
Cl5	1.035	-1.035	-1.035

	C1	Cl2	Cl3	Cl4	Cl5
C1		1.7935	1.7935	1.7935	1.7935
Cl2	1.7935		2.9287	2.9287	2.9287
Cl3	1.7935	2.9287		2.9287	2.9287
Cl4	1.7935	2.9287	2.9287		2.9287
Cl5	1.7935	2.9287	2.9287	2.9287

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: 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	-0.452
2	Cl	0.113
3	Cl	0.113
4	Cl	0.113
5	Cl	0.113

<r²>	253.669
(<r²>)^1/2	15.927

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

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

States and conformations

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