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	hartrees
Energy at 0K	-134.416199
Energy at 298.15K	-134.416311
Nuclear repulsion energy	142.332357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1837	1654	0.00
2	A_g	437	393	0.00
3	A_g	245	221	0.00
4	A_u	105	95	0.00
5	B_1u	771	694	80.78
6	B_1u	323	291	0.30
7	B_2g	605	545	0.00
8	B_2u	911	820	143.94
9	B_2u	184	166	2.19
10	B_3g	1013	912	0.00
11	B_3g	362	325	0.00
12	B_3u	314	283	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.660
C2	0.000	-0.660
Cl3	1.484	1.629
Cl4	-1.484	1.629
Cl5	-1.484	-1.629
Cl6	1.484	-1.629

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3202	1.7724	1.7724	2.7282	2.7282
C2	1.3202		2.7282	2.7282	1.7724	1.7724
Cl3	1.7724	2.7282		2.9679	4.4074	3.2583
Cl4	1.7724	2.7282	2.9679		3.2583	4.4074
Cl5	2.7282	1.7724	4.4074	3.2583		2.9679
Cl6	2.7282	1.7724	3.2583	4.4074	2.9679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	123.146	C1	C2	Cl6	123.146
C2	C1	Cl3	123.146	C2	C1	Cl4	123.146
Cl3	C1	Cl4	113.708	Cl5	C2	Cl6	113.708

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: HF/LANL2DZ

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	-0.083
2	C	-0.083
3	Cl	0.041
4	Cl	0.041
5	Cl	0.041
6	Cl	0.041

<r²>	179.005
(<r²>)^1/2	13.379

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)