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	hartrees
Energy at 0K	-1895.947313
Energy at 298.15K	-1895.946861
Nuclear repulsion energy	475.185448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1721	1536	0.00
2	A_g	451	403	0.00
3	A_g	214	191	0.00
4	A_u	97	87	0.00
5	B_1u	799	713	73.41
6	B_1u	290	258	2.22
7	B_2g	482	430	0.00
8	B_2u	989	882	153.82
9	B_2u	155	138	1.69
10	B_3g	1076	960	0.00
11	B_3g	340	303	0.00
12	B_3u	278	248	3.03

Atom	y (Å)	z (Å)
C1	0.000	0.680
C2	0.000	-0.680
Cl3	1.519	1.634
Cl4	-1.519	1.634
Cl5	-1.519	-1.634
Cl6	1.519	-1.634

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3609	1.7935	1.7935	2.7685	2.7685
C2	1.3609		2.7685	2.7685	1.7935	1.7935
Cl3	1.7935	2.7685		3.0378	4.4621	3.2683
Cl4	1.7935	2.7685	3.0378		3.2683	4.4621
Cl5	2.7685	1.7935	4.4621	3.2683		3.0378
Cl6	2.7685	1.7935	3.2683	4.4621	3.0378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.123	C1	C2	Cl6	122.123
C2	C1	Cl3	122.123	C2	C1	Cl4	122.123
Cl3	C1	Cl4	115.753	Cl5	C2	Cl6	115.753

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYP/STO-3G

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	0.048
2	C	0.048
3	Cl	-0.024
4	Cl	-0.024
5	Cl	-0.024
6	Cl	-0.024

<r²>	380.503
(<r²>)^1/2	19.506

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)