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	hartrees
Energy at 0K	-1916.063372
Energy at 298.15K	-1916.063281
HF Energy	-1916.063372
Nuclear repulsion energy	488.953755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1575	1549	0.00
2	A_g	446	438	0.00
3	A_g	237	233	0.00
4	A_u	94	93	0.00
5	B_1u	764	752	76.10
6	B_1u	313	308	0.04
7	B_2g	506	498	0.00
8	B_2u	883	868	242.00
9	B_2u	176	173	0.89
10	B_3g	958	942	0.00
11	B_3g	338	333	0.00
12	B_3u	287	282	0.74

Atom	y (Å)	z (Å)
C1	0.000	0.680
C2	0.000	-0.680
Cl3	1.460	1.609
Cl4	-1.460	1.609
Cl5	-1.460	-1.609
Cl6	1.460	-1.609

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3596	1.7307	1.7307	2.7149	2.7149
C2	1.3596		2.7149	2.7149	1.7307	1.7307
Cl3	1.7307	2.7149		2.9203	4.3456	3.2181
Cl4	1.7307	2.7149	2.9203		3.2181	4.3456
Cl5	2.7149	1.7307	4.3456	3.2181		2.9203
Cl6	2.7149	1.7307	3.2181	4.3456	2.9203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.473	C1	C2	Cl6	122.473
C2	C1	Cl3	122.473	C2	C1	Cl4	122.473
Cl3	C1	Cl4	115.055	Cl5	C2	Cl6	115.055

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: PBEPBEultrafine/6-31G*

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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Number	Element	Mulliken
1	C	-0.213
2	C	-0.213
3	Cl	0.106
4	Cl	0.106
5	Cl	0.106
6	Cl	0.106

<r²>	362.924
(<r²>)^1/2	19.051

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)