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	hartrees
Energy at 0K	-1916.063359
Energy at 298.15K	-1916.063266
Nuclear repulsion energy	488.955931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1576	1554	0.00
2	A_g	445	438	0.00
3	A_g	237	234	0.00
4	A_u	94	93	0.00
5	B_1u	763	752	76.14
6	B_1u	313	308	0.05
7	B_2g	506	499	0.00
8	B_2u	880	867	241.85
9	B_2u	176	174	0.90
10	B_3g	955	941	0.00
11	B_3g	338	333	0.00
12	B_3u	287	283	0.74

Atom	y (Å)	z (Å)
C1	0.000	0.680
C2	0.000	-0.680
Cl3	1.463	1.603
Cl4	-1.463	1.603
Cl5	-1.463	-1.603
Cl6	1.463	-1.603

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3599	1.7294	1.7294	2.7110	2.7110
C2	1.3599		2.7110	2.7110	1.7294	1.7294
Cl3	1.7294	2.7110		2.9254	4.3395	3.2053
Cl4	1.7294	2.7110	2.9254		3.2053	4.3395
Cl5	2.7110	1.7294	4.3395	3.2053		2.9254
Cl6	2.7110	1.7294	3.2053	4.3395	2.9254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.245	C1	C2	Cl6	122.245
C2	C1	Cl3	122.245	C2	C1	Cl4	122.245
Cl3	C1	Cl4	115.511	Cl5	C2	Cl6	115.511

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: PBEPBE/6-31G*

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	-0.213
2	C	-0.213
3	Cl	0.106
4	Cl	0.106
5	Cl	0.106
6	Cl	0.106

<r²>	362.919
(<r²>)^1/2	19.050

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)