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	hartrees
Energy at 0K	-70.857354
Energy at 298.15K	-70.857167
Nuclear repulsion energy	104.761557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1613	1572	0.00
2	A_g	409	398	0.00
3	A_g	224	219	0.00
4	A_u	92	89	0.00
5	B_1u	714	695	70.79
6	B_1u	295	288	0.02
7	B_2g	508	495	0.00
8	B_2u	840	819	206.19
9	B_2u	168	164	1.38
10	B_3g	916	892	0.00
11	B_3g	325	317	0.00
12	B_3u	282	275	1.63

Atom	y (Å)	z (Å)
C1	0.000	0.678
C2	0.000	-0.678
Cl3	1.515	1.655
Cl4	-1.515	1.655
Cl5	-1.515	-1.655
Cl6	1.515	-1.655

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3557	1.8030	1.8030	2.7817	2.7817
C2	1.3557		2.7817	2.7817	1.8030	1.8030
Cl3	1.8030	2.7817		3.0305	4.4876	3.3098
Cl4	1.8030	2.7817	3.0305		3.3098	4.4876
Cl5	2.7817	1.8030	4.4876	3.3098		3.0305
Cl6	2.7817	1.8030	3.3098	4.4876	3.0305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.814	C1	C2	Cl6	122.814
C2	C1	Cl3	122.814	C2	C1	Cl4	122.814
Cl3	C1	Cl4	114.371	Cl5	C2	Cl6	114.371

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYP/CEP-121G

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	-0.367
2	C	-0.367
3	Cl	0.183
4	Cl	0.183
5	Cl	0.183
6	Cl	0.183

<r²>	181.481
(<r²>)^1/2	13.472

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)