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	hartrees
Energy at 0K	-1907.701739
Energy at 298.15K	-1907.701495
Nuclear repulsion energy	476.758409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1693	1634	0.00
2	A_g	398	384	0.00
3	A_g	218	210	0.00
4	A_u	96	93	0.00
5	B_1u	701	676	66.07
6	B_1u	281	271	0.02
7	B_2g	540	521	0.00
8	B_2u	810	781	192.32
9	B_2u	167	161	1.76
10	B_3g	898	867	0.00
11	B_3g	331	319	0.00
12	B_3u	273	264	0.58

Atom	y (Å)	z (Å)
C1	0.000	0.661
C2	0.000	-0.661
Cl3	1.510	1.635
Cl4	-1.510	1.635
Cl5	-1.510	-1.635
Cl6	1.510	-1.635

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3227	1.7962	1.7962	2.7480	2.7480
C2	1.3227		2.7480	2.7480	1.7962	1.7962
Cl3	1.7962	2.7480		3.0190	4.4503	3.2697
Cl4	1.7962	2.7480	3.0190		3.2697	4.4503
Cl5	2.7480	1.7962	4.4503	3.2697		3.0190
Cl6	2.7480	1.7962	3.2697	4.4503	3.0190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.819	C1	C2	Cl6	122.819
C2	C1	Cl3	122.819	C2	C1	Cl4	122.819
Cl3	C1	Cl4	114.363	Cl5	C2	Cl6	114.363

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.430	0.023
2	C	-0.430	0.023
3	Cl	0.215	-0.011
4	Cl	0.215	-0.011
5	Cl	0.215	-0.011
6	Cl	0.215	-0.011

<r²>	380.496
(<r²>)^1/2	19.506

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)