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	hartrees
Energy at 0K	-1913.786497
Energy at 298.15K	-1913.786841
Nuclear repulsion energy	495.621800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1801	1640	0.00
2	A_g	482	439	0.00
3	A_g	258	235	0.00
4	A_u	110	100	0.00
5	B_1u	840	764	80.86
6	B_1u	338	307	0.02
7	B_2g	633	576	0.00
8	B_2u	985	897	167.14
9	B_2u	194	177	0.91
10	B_3g	1093	995	0.00
11	B_3g	377	343	0.00
12	B_3u	328	299	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.659
C2	0.000	-0.659
Cl3	1.440	1.585
Cl4	-1.440	1.585
Cl5	-1.440	-1.585
Cl6	1.440	-1.585

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3185	1.7119	1.7119	2.6667	2.6667
C2	1.3185		2.6667	2.6667	1.7119	1.7119
Cl3	1.7119	2.6667		2.8794	4.2832	3.1710
Cl4	1.7119	2.6667	2.8794		3.1710	4.2832
Cl5	2.6667	1.7119	4.2832	3.1710		2.8794
Cl6	2.6667	1.7119	3.1710	4.2832	2.8794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.756	C1	C2	Cl6	122.756
C2	C1	Cl3	122.756	C2	C1	Cl4	122.756
Cl3	C1	Cl4	114.489	Cl5	C2	Cl6	114.489

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: HF/cc-pV(T+d)Z

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	0.131
2	C	0.131
3	Cl	-0.066
4	Cl	-0.066
5	Cl	-0.066
6	Cl	-0.066

<r²>	355.003
(<r²>)^1/2	18.842

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: HF/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)