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	hartrees
Energy at 0K	-1912.005515
Energy at 298.15K	-1912.005510
Nuclear repulsion energy	494.655767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1621	1608	0.00
2	A_g	463	459	0.00
3	A_g	233	232	0.00
4	A_u	99	98	0.00
5	B_1u	794	787	73.78
6	B_1u	311	309	0.08
7	B_2g	515	511	0.00
8	B_2u	936	929	226.75
9	B_2u	172	170	0.88
10	B_3g	995	988	0.00
11	B_3g	346	343	0.00
12	B_3u	281	279	1.76

Atom	y (Å)	z (Å)
C1	0.000	0.677
C2	0.000	-0.677
Cl3	1.452	1.577
Cl4	-1.452	1.577
Cl5	-1.452	-1.577
Cl6	1.452	-1.577

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3531	1.7084	1.7084	2.6808	2.6808
C2	1.3531		2.6808	2.6808	1.7084	1.7084
Cl3	1.7084	2.6808		2.9032	4.2872	3.1546
Cl4	1.7084	2.6808	2.9032		3.1546	4.2872
Cl5	2.6808	1.7084	4.2872	3.1546		2.9032
Cl6	2.6808	1.7084	3.1546	4.2872	2.9032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.821	C1	C2	Cl6	121.821
C2	C1	Cl3	121.821	C2	C1	Cl4	121.821
Cl3	C1	Cl4	116.358	Cl5	C2	Cl6	116.358

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: SVWN/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	-0.113
2	C	-0.113
3	Cl	0.056
4	Cl	0.056
5	Cl	0.056
6	Cl	0.056

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: SVWN/cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)