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	hartrees
Energy at 0K	-1917.133880
Energy at 298.15K	-1917.133874
HF Energy	-1917.133880
Nuclear repulsion energy	491.337499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1616	1564	0.00
2	A_g	444	430	0.00
3	A_g	236	229	0.00
4	A_u	97	94	0.00
5	B_1u	767	742	69.31
6	B_1u	312	301	0.07
7	B_2g	542	525	0.00
8	B_2u	876	848	187.31
9	B_2u	177	171	0.73
10	B_3g	957	926	0.00
11	B_3g	344	333	0.00
12	B_3u	290	281	0.23

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
Cl3	1.454	1.598
Cl4	-1.454	1.598
Cl5	-1.454	-1.598
Cl6	1.454	-1.598

	C1	C2	Cl3	Cl4	Cl5	Cl6
C1		1.3382	1.7253	1.7253	2.6931	2.6931
C2	1.3382		2.6931	2.6931	1.7253	1.7253
Cl3	1.7253	2.6931		2.9080	4.3207	3.1956
Cl4	1.7253	2.6931	2.9080		3.1956	4.3207
Cl5	2.6931	1.7253	4.3207	3.1956		2.9080
Cl6	2.6931	1.7253	3.1956	4.3207	2.9080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	122.566	C1	C2	Cl6	122.566
C2	C1	Cl3	122.566	C2	C1	Cl4	122.566
Cl3	C1	Cl4	114.869	Cl5	C2	Cl6	114.869

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	0.282
2	C	0.282
3	Cl	-0.141
4	Cl	-0.141
5	Cl	-0.141
6	Cl	-0.141

<r²>	360.301
(<r²>)^1/2	18.982

All results from a given calculation for C2Cl4 (Tetrachloroethylene)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₄ (Tetrachloroethylene)