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	hartrees
Energy at 0K	-1916.966680
Energy at 298.15K	-1916.966774
Nuclear repulsion energy	493.165801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1656	1576	0.00
2	A_g	465	443	0.00
3	A_g	245	233	0.00
4	A_u	99	94	0.00
5	B_1u	802	763	76.52
6	B_1u	326	310	0.10
7	B_2g	549	522	0.00
8	B_2u	934	889	219.62
9	B_2u	182	173	0.87
10	B_3g	1017	968	0.00
11	B_3g	354	337	0.00
12	B_3u	301	286	0.64

Atom	y (Å)	z (Å)
C1	0.000	0.673
C2	0.000	-0.673
Cl3	1.450	1.590
Cl4	-1.450	1.590
Cl5	-1.450	-1.590
Cl6	1.450	-1.590

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3452	1.7154	1.7154	2.6869	2.6869
C2	1.3452		2.6869	2.6869	1.7154	1.7154
Cl3	1.7154	2.6869		2.8994	4.3028	3.1792
Cl4	1.7154	2.6869	2.8994		3.1792	4.3028
Cl5	2.6869	1.7154	4.3028	3.1792		2.8994
Cl6	2.6869	1.7154	3.1792	4.3028	2.8994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.314	C1	C2	Cl6	122.314
C2	C1	Cl3	122.314	C2	C1	Cl4	122.314
Cl3	C1	Cl4	115.372	Cl5	C2	Cl6	115.372

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: mPW1PW91/6-31+G**

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	-0.498
2	C	-0.498
3	Cl	0.249
4	Cl	0.249
5	Cl	0.249
6	Cl	0.249

<r²>	357.836
(<r²>)^1/2	18.917

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)