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	hartrees
Energy at 0K	-1913.783578
Energy at 298.15K	-1913.783908
Nuclear repulsion energy	494.940538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1804	1642	0.00
2	A_g	480	437	0.00
3	A_g	257	234	0.00
4	A_u	109	100	0.00
5	B_1u	836	761	75.94
6	B_1u	337	306	0.03
7	B_2g	629	573	0.00
8	B_2u	983	895	160.54
9	B_2u	194	176	0.86
10	B_3g	1088	990	0.00
11	B_3g	375	342	0.00
12	B_3u	326	297	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.658
C2	0.000	-0.658
Cl3	1.442	1.588
Cl4	-1.442	1.588
Cl5	-1.442	-1.588
Cl6	1.442	-1.588

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3169	1.7153	1.7153	2.6690	2.6690
C2	1.3169		2.6690	2.6690	1.7153	1.7153
Cl3	1.7153	2.6690		2.8838	4.2892	3.1750
Cl4	1.7153	2.6690	2.8838		3.1750	4.2892
Cl5	2.6690	1.7153	4.2892	3.1750		2.8838
Cl6	2.6690	1.7153	3.1750	4.2892	2.8838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.796	C1	C2	Cl6	122.796
C2	C1	Cl3	122.796	C2	C1	Cl4	122.796
Cl3	C1	Cl4	114.409	Cl5	C2	Cl6	114.409

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: HF/aug-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	0.413
2	C	0.413
3	Cl	-0.207
4	Cl	-0.207
5	Cl	-0.207
6	Cl	-0.207

<r²>	356.013
(<r²>)^1/2	18.868

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)