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	hartrees
Energy at 0K	-1917.070718
Energy at 298.15K	-1917.070784
Nuclear repulsion energy	492.544975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1667	1598	0.00
2	A_g	464	444	0.00
3	A_g	239	229	0.00
4	A_u	100	96	0.00
5	B_1u	798	765	71.59
6	B_1u	316	303	0.03
7	B_2g	537	515	0.00
8	B_2u	932	893	190.52
9	B_2u	177	169	0.77
10	B_3g	996	954	0.00
11	B_3g	351	336	0.00
12	B_3u	294	282	0.35

Atom	y (Å)	z (Å)
C1	0.000	0.672
C2	0.000	-0.672
Cl3	1.452	1.592
Cl4	-1.452	1.592
Cl5	-1.452	-1.592
Cl6	1.452	-1.592

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3444	1.7182	1.7182	2.6892	2.6892
C2	1.3444		2.6892	2.6892	1.7182	1.7182
Cl3	1.7182	2.6892		2.9031	4.3083	3.1833
Cl4	1.7182	2.6892	2.9031		3.1833	4.3083
Cl5	2.6892	1.7182	4.3083	3.1833		2.9031
Cl6	2.6892	1.7182	3.1833	4.3083	2.9031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.350	C1	C2	Cl6	122.350
C2	C1	Cl3	122.350	C2	C1	Cl4	122.350
Cl3	C1	Cl4	115.300	Cl5	C2	Cl6	115.300

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.172
2	C	0.172
3	Cl	-0.086
4	Cl	-0.086
5	Cl	-0.086
6	Cl	-0.086

<r²>	358.468
(<r²>)^1/2	18.933

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)