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	hartrees
Energy at 0K	-1916.084046
Energy at 298.15K	-1916.083958
Nuclear repulsion energy	491.029043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1572	1556	0.00
2	A_g	446	442	0.00
3	A_g	231	228	0.00
4	A_u	95	95	0.00
5	B_1u	768	760	72.13
6	B_1u	306	302	0.01
7	B_2g	506	501	0.00
8	B_2u	888	879	212.19
9	B_2u	170	169	0.79
10	B_3g	952	942	0.00
11	B_3g	340	337	0.00
12	B_3u	284	281	0.22

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
Cl3	1.456	1.596
Cl4	-1.456	1.596
Cl5	-1.456	-1.596
Cl6	1.456	-1.596

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3570	1.7213	1.7213	2.7008	2.7008
C2	1.3570		2.7008	2.7008	1.7213	1.7213
Cl3	1.7213	2.7008		2.9128	4.3212	3.1918
Cl4	1.7213	2.7008	2.9128		3.1918	4.3212
Cl5	2.7008	1.7213	4.3212	3.1918		2.9128
Cl6	2.7008	1.7213	3.1918	4.3212	2.9128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.206	C1	C2	Cl6	122.206
C2	C1	Cl3	122.206	C2	C1	Cl4	122.206
Cl3	C1	Cl4	115.587	Cl5	C2	Cl6	115.587

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	0.091
2	C	0.091
3	Cl	-0.045
4	Cl	-0.045
5	Cl	-0.045
6	Cl	-0.045

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)