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	hartrees
Energy at 0K	-2834.355980
Energy at 298.15K
HF Energy	-2832.808478
Nuclear repulsion energy	1019.697157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1036	975	0.00
2	A_1g	445	419	0.00
3	A_1g	227	213	0.00
4	A_1u	88	83	0.00
5	A_2u	707	666	47.01
6	A_2u	386	363	0.97
7	E_g	906	853	0.00
7	E_g	906	853	0.00
8	E_g	350	329	0.00
8	E_g	350	329	0.00
9	E_g	229	215	0.00
9	E_g	229	215	0.00
10	E_u	826	777	167.33
10	E_u	826	777	167.33
11	E_u	284	267	0.01
11	E_u	284	267	0.01
12	E_u	168	158	0.09
12	E_u	168	158	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.787
C2	0.000	0.000	-0.787
Cl3	0.000	1.667	1.389
Cl4	-1.444	-0.834	1.389
Cl5	1.444	-0.834	1.389
Cl6	0.000	-1.667	-1.389
Cl7	-1.444	0.834	-1.389
Cl8	1.444	0.834	-1.389

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5744	1.7724	1.7724	1.7724	2.7413	2.7413	2.7413
C2	1.5744		2.7413	2.7413	2.7413	1.7724	1.7724	1.7724
Cl3	1.7724	2.7413		2.8874	2.8874	4.3398	3.2398	3.2398
Cl4	1.7724	2.7413	2.8874		2.8874	3.2398	3.2398	4.3398
Cl5	1.7724	2.7413	2.8874	2.8874		3.2398	4.3398	3.2398
Cl6	2.7413	1.7724	4.3398	3.2398	3.2398		2.8874	2.8874
Cl7	2.7413	1.7724	3.2398	3.2398	4.3398	2.8874		2.8874
Cl8	2.7413	1.7724	3.2398	4.3398	3.2398	2.8874	2.8874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.848	C1	C2	Cl7	109.848
C1	C2	Cl8	109.848	C2	C1	Cl3	109.848
C2	C1	Cl4	109.848	C2	C1	Cl5	109.848
Cl3	C1	Cl4	109.092	Cl3	C1	Cl5	109.092
Cl4	C1	Cl5	109.092	Cl6	C2	Cl7	109.092
Cl6	C2	Cl8	109.092	Cl7	C2	Cl8	109.092

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD/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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All results from a given calculation for C2Cl6 (hexachloroethane)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)