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	hartrees
Energy at 0K	-1917.121904
Energy at 298.15K	-1917.121852
HF Energy	-1917.121904
Nuclear repulsion energy	492.513138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1554	1534	0.00
2	A_g	442	436	0.00
3	A_g	237	234	0.00
4	A_u	93	92	0.00
5	B_1u	759	749	71.88
6	B_1u	313	309	0.08
7	B_2g	532	525	0.00
8	B_2u	859	848	206.67
9	B_2u	175	173	0.73
10	B_3g	932	920	0.00
11	B_3g	340	336	0.00
12	B_3u	287	283	0.37

Atom	y (Å)	z (Å)
C1	0.000	0.676
C2	0.000	-0.676
Cl3	1.451	1.593
Cl4	-1.451	1.593
Cl5	-1.451	-1.593
Cl6	1.451	-1.593

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3510	1.7163	1.7163	2.6925	2.6925
C2	1.3510		2.6925	2.6925	1.7163	1.7163
Cl3	1.7163	2.6925		2.9011	4.3087	3.1857
Cl4	1.7163	2.6925	2.9011		3.1857	4.3087
Cl5	2.6925	1.7163	4.3087	3.1857		2.9011
Cl6	2.6925	1.7163	3.1857	4.3087	2.9011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.254	C1	C2	Cl6	120.254
C2	C1	Cl3	120.254	C2	C1	Cl4	120.254
Cl3	C1	Cl4	119.492	Cl5	C2	Cl6	119.492

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B97D3/6-311+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	0.356
2	C	0.356
3	Cl	-0.178
4	Cl	-0.178
5	Cl	-0.178
6	Cl	-0.178

<r²>	358.493
(<r²>)^1/2	18.934

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)