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	hartrees
Energy at 0K	-2833.677718
Energy at 298.15K	-2833.678699
HF Energy	-2832.551780
Nuclear repulsion energy	1018.788952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1045	989	0.00
2	A_1g	454	430	0.00
3	A_1g	233	221	0.00
4	A_1u	92	87	0.00
5	A_2u	722	683	50.96
6	A_2u	398	377	1.29
7	E_g	937	887	0.00
7	E_g	937	887	0.00
8	E_g	359	340	0.00
8	E_g	359	340	0.00
9	E_g	237	224	0.00
9	E_g	237	224	0.00
10	E_u	843	798	169.01
10	E_u	843	798	169.01
11	E_u	295	280	0.12
11	E_u	295	280	0.12
12	E_u	174	165	0.22
12	E_u	174	165	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.790
C2	0.000	0.000	-0.790
Cl3	0.000	1.669	1.390
Cl4	-1.445	-0.834	1.390
Cl5	1.445	-0.834	1.390
Cl6	0.000	-1.669	-1.390
Cl7	-1.445	0.834	-1.390
Cl8	1.445	0.834	-1.390

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5799	1.7732	1.7732	1.7732	2.7453	2.7453	2.7453
C2	1.5799		2.7453	2.7453	2.7453	1.7732	1.7732	1.7732
Cl3	1.7732	2.7453		2.8900	2.8900	4.3435	3.2425	3.2425
Cl4	1.7732	2.7453	2.8900		2.8900	3.2425	3.2425	4.3435
Cl5	1.7732	2.7453	2.8900	2.8900		3.2425	4.3435	3.2425
Cl6	2.7453	1.7732	4.3435	3.2425	3.2425		2.8900	2.8900
Cl7	2.7453	1.7732	3.2425	3.2425	4.3435	2.8900		2.8900
Cl8	2.7453	1.7732	3.2425	4.3435	3.2425	2.8900	2.8900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.784	C1	C2	Cl7	109.784
C1	C2	Cl8	109.784	C2	C1	Cl3	109.784
C2	C1	Cl4	109.784	C2	C1	Cl5	109.784
Cl3	C1	Cl4	109.156	Cl3	C1	Cl5	109.156
Cl4	C1	Cl5	109.156	Cl6	C2	Cl7	109.156
Cl6	C2	Cl8	109.156	Cl7	C2	Cl8	109.156

All results from a given calculation for C₂Cl₆ (hexachloroethane)

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

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)