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	hartrees
Energy at 0K	-1916.949870
Energy at 298.15K	-1916.949654
Nuclear repulsion energy	483.561066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1549	1552	0.00
2	A_g	422	423	0.00
3	A_g	228	228	0.00
4	A_u	92	92	0.00
5	B_1u	725	727	82.06
6	B_1u	299	299	0.09
7	B_2g	478	479	0.00
8	B_2u	827	828	228.16
9	B_2u	169	169	0.89
10	B_3g	904	905	0.00
11	B_3g	327	328	0.00
12	B_3u	274	275	0.91

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
Cl3	1.480	1.620
Cl4	-1.480	1.620
Cl5	-1.480	-1.620
Cl6	1.480	-1.620

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3624	1.7523	1.7523	2.7360	2.7360
C2	1.3624		2.7360	2.7360	1.7523	1.7523
Cl3	1.7523	2.7360		2.9590	4.3882	3.2405
Cl4	1.7523	2.7360	2.9590		3.2405	4.3882
Cl5	2.7360	1.7523	4.3882	3.2405		2.9590
Cl6	2.7360	1.7523	3.2405	4.3882	2.9590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.403	C1	C2	Cl6	122.403
C2	C1	Cl3	122.403	C2	C1	Cl4	122.403
Cl3	C1	Cl4	115.195	Cl5	C2	Cl6	115.195

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: BLYP/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	-0.055
2	C	-0.055
3	Cl	0.028
4	Cl	0.028
5	Cl	0.028
6	Cl	0.028

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)