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	hartrees
Energy at 0K	-2834.659916
Energy at 298.15K
HF Energy	-2832.808314
Nuclear repulsion energy	1021.721978

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
C2	0.000	0.000	-0.783
Cl3	0.000	1.667	1.381
Cl4	-1.444	-0.834	1.381
Cl5	1.444	-0.834	1.381
Cl6	0.000	-1.667	-1.381
Cl7	-1.444	0.834	-1.381
Cl8	1.444	0.834	-1.381

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5661	1.7713	1.7713	1.7713	2.7316	2.7316	2.7316
C2	1.5661		2.7316	2.7316	2.7316	1.7713	1.7713	1.7713
Cl3	1.7713	2.7316		2.8881	2.8881	4.3297	3.2257	3.2257
Cl4	1.7713	2.7316	2.8881		2.8881	3.2257	3.2257	4.3297
Cl5	1.7713	2.7316	2.8881	2.8881		3.2257	4.3297	3.2257
Cl6	2.7316	1.7713	4.3297	3.2257	3.2257		2.8881	2.8881
Cl7	2.7316	1.7713	3.2257	3.2257	4.3297	2.8881		2.8881
Cl8	2.7316	1.7713	3.2257	4.3297	3.2257	2.8881	2.8881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.717	C1	C2	Cl7	109.717
C1	C2	Cl8	109.717	C2	C1	Cl3	109.717
C2	C1	Cl4	109.717	C2	C1	Cl5	109.717
Cl3	C1	Cl4	109.224	Cl3	C1	Cl5	109.224
Cl4	C1	Cl5	109.224	Cl6	C2	Cl7	109.224
Cl6	C2	Cl8	109.224	Cl7	C2	Cl8	109.224

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD(T)=FULL/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(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)