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	hartrees
Energy at 0K	-2833.723354
Energy at 298.15K
HF Energy	-2832.551477
Nuclear repulsion energy	1016.086009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	1015	963
2	A_1g	444	421
3	A_1g	230	218
4	A_1u	90	86
5	A_2u	703	667
6	A_2u	391	370
7	E_g	903	857
7	E_g	903	857
8	E_g	352	334
8	E_g	352	334
9	E_g	232	220
9	E_g	232	220
10	E_u	814	773
10	E_u	814	773
11	E_u	290	275
11	E_u	290	275
12	E_u	171	162
12	E_u	171	162

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
C2	0.000	0.000	-0.792
Cl3	0.000	1.674	1.392
Cl4	-1.450	-0.837	1.392
Cl5	1.450	-0.837	1.392
Cl6	0.000	-1.674	-1.392
Cl7	-1.450	0.837	-1.392
Cl8	1.450	0.837	-1.392

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5834	1.7787	1.7787	1.7787	2.7515	2.7515	2.7515
C2	1.5834		2.7515	2.7515	2.7515	1.7787	1.7787	1.7787
Cl3	1.7787	2.7515		2.9002	2.9002	4.3545	3.2481	3.2481
Cl4	1.7787	2.7515	2.9002		2.9002	3.2481	3.2481	4.3545
Cl5	1.7787	2.7515	2.9002	2.9002		3.2481	4.3545	3.2481
Cl6	2.7515	1.7787	4.3545	3.2481	3.2481		2.9002	2.9002
Cl7	2.7515	1.7787	3.2481	3.2481	4.3545	2.9002		2.9002
Cl8	2.7515	1.7787	3.2481	4.3545	3.2481	2.9002	2.9002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.712	C1	C2	Cl7	109.712
C1	C2	Cl8	109.712	C2	C1	Cl3	109.712
C2	C1	Cl4	109.712	C2	C1	Cl5	109.712
Cl3	C1	Cl4	109.229	Cl3	C1	Cl5	109.229
Cl4	C1	Cl5	109.229	Cl6	C2	Cl7	109.229
Cl6	C2	Cl8	109.229	Cl7	C2	Cl8	109.229

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G**

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)