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	hartrees
Energy at 0K	-1917.189871
Energy at 298.15K	-1917.189951
Nuclear repulsion energy	492.696571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1663	1598	0.00
2	A_g	461	443	0.00
3	A_g	246	236	0.00
4	A_u	100	96	0.00
5	B_1u	793	763	81.51
6	B_1u	318	305	0.09
7	B_2g	529	509	0.00
8	B_2u	931	895	217.04
9	B_2u	190	182	0.79
10	B_3g	1005	966	0.00
11	B_3g	350	337	0.00
12	B_3u	295	283	0.97

Atom	y (Å)	z (Å)
C1	0.000	0.673
C2	0.000	-0.673
Cl3	1.453	1.589
Cl4	-1.453	1.589
Cl5	-1.453	-1.589
Cl6	1.453	-1.589

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3459	1.7176	1.7176	2.6884	2.6884
C2	1.3459		2.6884	2.6884	1.7176	1.7176
Cl3	1.7176	2.6884		2.9059	4.3062	3.1780
Cl4	1.7176	2.6884	2.9059		3.1780	4.3062
Cl5	2.6884	1.7176	4.3062	3.1780		2.9059
Cl6	2.6884	1.7176	3.1780	4.3062	2.9059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.229	C1	C2	Cl6	122.229
C2	C1	Cl3	122.229	C2	C1	Cl4	122.229
Cl3	C1	Cl4	115.541	Cl5	C2	Cl6	115.541

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B1B95/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	-0.079
2	C	-0.079
3	Cl	0.039
4	Cl	0.039
5	Cl	0.039
6	Cl	0.039

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)