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	hartrees
Energy at 0K	-2834.071170
Energy at 298.15K
HF Energy	-2832.712194
Nuclear repulsion energy	1009.444032

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
C2	0.000	0.000	-0.789
Cl3	0.000	1.688	1.398
Cl4	-1.461	-0.844	1.398
Cl5	1.461	-0.844	1.398
Cl6	0.000	-1.688	-1.398
Cl7	-1.461	0.844	-1.398
Cl8	1.461	0.844	-1.398

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5777	1.7941	1.7941	1.7941	2.7621	2.7621	2.7621
C2	1.5777		2.7621	2.7621	2.7621	1.7941	1.7941	1.7941
Cl3	1.7941	2.7621		2.9229	2.9229	4.3825	3.2654	3.2654
Cl4	1.7941	2.7621	2.9229		2.9229	3.2654	3.2654	4.3825
Cl5	1.7941	2.7621	2.9229	2.9229		3.2654	4.3825	3.2654
Cl6	2.7621	1.7941	4.3825	3.2654	3.2654		2.9229	2.9229
Cl7	2.7621	1.7941	3.2654	3.2654	4.3825	2.9229		2.9229
Cl8	2.7621	1.7941	3.2654	4.3825	3.2654	2.9229	2.9229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.841	C1	C2	Cl7	109.841
C1	C2	Cl8	109.841	C2	C1	Cl3	109.841
C2	C1	Cl4	109.841	C2	C1	Cl5	109.841
Cl3	C1	Cl4	109.099	Cl3	C1	Cl5	109.099
Cl4	C1	Cl5	109.099	Cl6	C2	Cl7	109.099
Cl6	C2	Cl8	109.099	Cl7	C2	Cl8	109.099

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)