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	hartrees
Energy at 0K	-1917.037211
Energy at 298.15K	-1917.037330
HF Energy	-1917.037211
Nuclear repulsion energy	493.646699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1671	1597	0.00
2	A_g	458	438	0.00
3	A_g	243	232	0.00
4	A_u	104	99	0.00
5	B_1u	793	758	74.67
6	B_1u	318	304	0.04
7	B_2g	567	542	0.00
8	B_2u	920	879	187.02
9	B_2u	184	176	0.82
10	B_3g	1002	958	0.00
11	B_3g	352	337	0.00
12	B_3u	305	292	0.31

Atom	y (Å)	z (Å)
C1	0.000	0.699
C2	0.000	-0.699
Cl3	1.365	1.494
Cl4	-1.365	1.494
Cl5	-1.365	-1.494
Cl6	1.365	-1.494

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3978	1.5794	1.5794	2.5826	2.5826
C2	1.3978		2.5826	2.5826	1.5794	1.5794
Cl3	1.5794	2.5826		2.7298	4.0465	2.9870
Cl4	1.5794	2.5826	2.7298		2.9870	4.0465
Cl5	2.5826	1.5794	4.0465	2.9870		2.7298
Cl6	2.5826	1.5794	2.9870	4.0465	2.7298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.207	C1	C2	Cl6	120.207
C2	C1	Cl3	120.207	C2	C1	Cl4	120.207
Cl3	C1	Cl4	119.586	Cl5	C2	Cl6	119.586

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: wB97X-D/cc-pVTZ

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	0.028
2	C	0.028
3	Cl	-0.014
4	Cl	-0.014
5	Cl	-0.014
6	Cl	-0.014

<r²>	356.859
(<r²>)^1/2	18.891

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)