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	hartrees
Energy at 0K	-1878.287124
Energy at 298.15K	-1878.287694
HF Energy	-1877.971288
Nuclear repulsion energy	438.289034

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	464	464	0.00	16.64	0.00	0.00
2	E	219	219	0.00	2.81	0.75	0.86
2	E	219	219	0.00	2.81	0.75	0.86
3	T₂	787	787	163.29	3.00	0.75	0.86
3	T₂	787	787	163.29	3.00	0.75	0.86
3	T₂	787	787	163.29	3.00	0.75	0.86
4	T₂	318	318	0.05	3.63	0.75	0.86
4	T₂	318	318	0.05	3.63	0.75	0.86
4	T₂	318	318	0.05	3.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
Cl2	1.025	1.025	1.025
Cl3	-1.025	-1.025	1.025
Cl4	-1.025	1.025	-1.025
Cl5	1.025	-1.025	-1.025

	C1	Cl2	Cl3	Cl4	Cl5
C1		1.7747	1.7747	1.7747	1.7747
Cl2	1.7747		2.8980	2.8980	2.8980
Cl3	1.7747	2.8980		2.8980	2.8980
Cl4	1.7747	2.8980	2.8980		2.8980
Cl5	1.7747	2.8980	2.8980	2.8980

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

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

States and conformations

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