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	hartrees
Energy at 0K	-1916.890679
Energy at 298.15K	-1916.890733
Nuclear repulsion energy	494.045509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1633	1570	0.00
2	A_g	457	440	0.00
3	A_g	237	228	0.00
4	A_u	100	96	0.00
5	B_1u	789	759	75.20
6	B_1u	315	303	0.03
7	B_2g	549	527	0.00
8	B_2u	912	877	200.49
9	B_2u	176	169	0.81
10	B_3g	989	951	0.00
11	B_3g	350	336	0.00
12	B_3u	296	284	0.49

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
Cl3	1.448	1.586
Cl4	-1.448	1.586
Cl5	-1.448	-1.586
Cl6	1.448	-1.586

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3395	1.7134	1.7134	2.6804	2.6804
C2	1.3395		2.6804	2.6804	1.7134	1.7134
Cl3	1.7134	2.6804		2.8957	4.2950	3.1720
Cl4	1.7134	2.6804	2.8957		3.1720	4.2950
Cl5	2.6804	1.7134	4.2950	3.1720		2.8957
Cl6	2.6804	1.7134	3.1720	4.2950	2.8957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.327	C1	C2	Cl6	122.327
C2	C1	Cl3	122.327	C2	C1	Cl4	122.327
Cl3	C1	Cl4	115.345	Cl5	C2	Cl6	115.345

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3PW91/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	0.052
2	C	0.052
3	Cl	-0.026
4	Cl	-0.026
5	Cl	-0.026
6	Cl	-0.026

<r²>	356.223
(<r²>)^1/2	18.874

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)