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	hartrees
Energy at 0K	-1913.757011
Energy at 298.15K	-1913.757375
Nuclear repulsion energy	496.094056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1801	1636	0.00
2	A_g	485	440	0.00
3	A_g	261	237	0.00
4	A_u	110	100	0.00
5	B_1u	843	766	76.06
6	B_1u	342	311	0.04
7	B_2g	647	588	0.00
8	B_2u	990	900	159.22
9	B_2u	196	178	0.84
10	B_3g	1096	996	0.00
11	B_3g	378	343	0.00
12	B_3u	330	300	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.659
C2	0.000	-0.659
Cl3	1.437	1.585
Cl4	-1.437	1.585
Cl5	-1.437	-1.585
Cl6	1.437	-1.585

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3174	1.7100	1.7100	2.6647	2.6647
C2	1.3174		2.6647	2.6647	1.7100	1.7100
Cl3	1.7100	2.6647		2.8745	4.2795	3.1704
Cl4	1.7100	2.6647	2.8745		3.1704	4.2795
Cl5	2.6647	1.7100	4.2795	3.1704		2.8745
Cl6	2.6647	1.7100	3.1704	4.2795	2.8745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.806	C1	C2	Cl6	122.806
C2	C1	Cl3	122.806	C2	C1	Cl4	122.806
Cl3	C1	Cl4	114.387	Cl5	C2	Cl6	114.387

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: HF/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	0.408
2	C	0.408
3	Cl	-0.204
4	Cl	-0.204
5	Cl	-0.204
6	Cl	-0.204

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

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

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)