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	hartrees
Energy at 0K	-1917.085095
Energy at 298.15K	-1917.085213
Nuclear repulsion energy	493.609893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1654	1583	0.00
2	A_g	463	443	0.00
3	A_g	248	237	0.00
4	A_u	99	95	0.00
5	B_1u	797	762	80.03
6	B_1u	327	313	0.55
7	B_2g	556	532	0.00
8	B_2u	923	883	232.23
9	B_2u	184	176	0.91
10	B_3g	1003	960	0.00
11	B_3g	352	337	0.00
12	B_3u	303	290	1.91

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
Cl3	1.447	1.590
Cl4	-1.447	1.590
Cl5	-1.447	-1.590
Cl6	1.447	-1.590

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3398	1.7147	1.7147	2.6833	2.6833
C2	1.3398		2.6833	2.6833	1.7147	1.7147
Cl3	1.7147	2.6833		2.8945	4.2995	3.1793
Cl4	1.7147	2.6833	2.8945		3.1793	4.2995
Cl5	2.6833	1.7147	4.2995	3.1793		2.8945
Cl6	2.6833	1.7147	3.1793	4.2995	2.8945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.436	C1	C2	Cl6	122.436
C2	C1	Cl3	122.436	C2	C1	Cl4	122.436
Cl3	C1	Cl4	115.129	Cl5	C2	Cl6	115.129

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: mPW1PW91/6-311G**

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	-0.148
2	C	-0.148
3	Cl	0.074
4	Cl	0.074
5	Cl	0.074
6	Cl	0.074

<r²>	357.588
(<r²>)^1/2	18.910

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)