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	hartrees
Energy at 0K	-1917.114529
Energy at 298.15K	-1917.114571
Nuclear repulsion energy	492.657165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1612	1559	0.00
2	A_g	449	434	0.00
3	A_g	240	232	0.00
4	A_u	99	96	0.00
5	B_1u	775	749	68.68
6	B_1u	317	306	0.07
7	B_2g	564	545	0.00
8	B_2u	884	854	184.32
9	B_2u	179	173	0.73
10	B_3g	966	934	0.00
11	B_3g	347	336	0.00
12	B_3u	296	286	0.22

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
Cl3	1.450	1.592
Cl4	-1.450	1.592
Cl5	-1.450	-1.592
Cl6	1.450	-1.592

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3394	1.7190	1.7190	2.6871	2.6871
C2	1.3394		2.6871	2.6871	1.7190	1.7190
Cl3	1.7190	2.6871		2.9007	4.3078	3.1848
Cl4	1.7190	2.6871	2.9007		3.1848	4.3078
Cl5	2.6871	1.7190	4.3078	3.1848		2.9007
Cl6	2.6871	1.7190	3.1848	4.3078	2.9007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.464	C1	C2	Cl6	122.464
C2	C1	Cl3	122.464	C2	C1	Cl4	122.464
Cl3	C1	Cl4	115.073	Cl5	C2	Cl6	115.073

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.335
2	C	0.335
3	Cl	-0.167
4	Cl	-0.167
5	Cl	-0.167
6	Cl	-0.167

<r²>	358.645
(<r²>)^1/2	18.938

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)