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	hartrees
Energy at 0K	-2834.133540
Energy at 298.15K
HF Energy	-2832.590620
Nuclear repulsion energy	1018.730602

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.790
C2	0.000	0.000	-0.790
Cl3	0.000	1.670	1.387
Cl4	-1.447	-0.835	1.387
Cl5	1.447	-0.835	1.387
Cl6	0.000	-1.670	-1.387
Cl7	-1.447	0.835	-1.387
Cl8	1.447	0.835	-1.387

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5794	1.7741	1.7741	1.7741	2.7441	2.7441	2.7441
C2	1.5794		2.7441	2.7441	2.7441	1.7741	1.7741	1.7741
Cl3	1.7741	2.7441		2.8931	2.8931	4.3428	3.2388	3.2388
Cl4	1.7741	2.7441	2.8931		2.8931	3.2388	3.2388	4.3428
Cl5	1.7741	2.7441	2.8931	2.8931		3.2388	4.3428	3.2388
Cl6	2.7441	1.7741	4.3428	3.2388	3.2388		2.8931	2.8931
Cl7	2.7441	1.7741	3.2388	3.2388	4.3428	2.8931		2.8931
Cl8	2.7441	1.7741	3.2388	4.3428	3.2388	2.8931	2.8931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.690	C1	C2	Cl7	109.690
C1	C2	Cl8	109.690	C2	C1	Cl3	109.690
C2	C1	Cl4	109.690	C2	C1	Cl5	109.690
Cl3	C1	Cl4	109.251	Cl3	C1	Cl5	109.251
Cl4	C1	Cl5	109.251	Cl6	C2	Cl7	109.251
Cl6	C2	Cl8	109.251	Cl7	C2	Cl8	109.251

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD(T)/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)