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	hartrees
Energy at 0K	-70.945020
Energy at 298.15K	-70.944876
Nuclear repulsion energy	107.141263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1625	1569	0.00
2	A_g	441	426	0.00
3	A_g	231	224	0.00
4	A_u	96	93	0.00
5	B_1u	757	731	85.66
6	B_1u	307	296	0.27
7	B_2g	481	464	0.00
8	B_2u	891	861	238.56
9	B_2u	172	166	0.85
10	B_3g	964	931	0.00
11	B_3g	332	320	0.00
12	B_3u	284	274	2.44

Atom	y (Å)	z (Å)
C1	0.000	0.687
C2	0.000	-0.687
Cl3	1.476	1.620
Cl4	-1.476	1.620
Cl5	-1.476	-1.620
Cl6	1.476	-1.620

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3748	1.7461	1.7461	2.7392	2.7392
C2	1.3748		2.7392	2.7392	1.7461	1.7461
Cl3	1.7461	2.7392		2.9521	4.3834	3.2403
Cl4	1.7461	2.7392	2.9521		3.2403	4.3834
Cl5	2.7392	1.7461	4.3834	3.2403		2.9521
Cl6	2.7392	1.7461	3.2403	4.3834	2.9521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.290	C1	C2	Cl6	122.290
C2	C1	Cl3	122.290	C2	C1	Cl4	122.290
Cl3	C1	Cl4	115.420	Cl5	C2	Cl6	115.420

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYP/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	-0.013
2	C	-0.013
3	Cl	0.007
4	Cl	0.007
5	Cl	0.007
6	Cl	0.007

<r²>	174.154
(<r²>)^1/2	13.197

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)