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	hartrees
Energy at 0K	-2833.891792
Energy at 298.15K
HF Energy	-2832.691641
Nuclear repulsion energy	1009.965953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	1010	989
2	A_1g	433	423
3	A_1g	224	219
4	A_1u	88	86
5	A_2u	687	672
6	A_2u	379	371
7	E_g	874	856
7	E_g	874	856
8	E_g	344	337
8	E_g	344	337
9	E_g	226	221
9	E_g	226	221
10	E_u	797	780
10	E_u	797	780
11	E_u	282	276
11	E_u	282	276
12	E_u	167	163
12	E_u	166	163

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.794
C2	0.000	0.000	-0.794
Cl3	0.000	1.685	1.399
Cl4	-1.459	-0.843	1.399
Cl5	1.459	-0.843	1.399
Cl6	0.000	-1.685	-1.399
Cl7	-1.459	0.843	-1.399
Cl8	1.459	0.843	-1.399

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5889	1.7904	1.7904	1.7904	2.7663	2.7663	2.7663
C2	1.5889		2.7663	2.7663	2.7663	1.7904	1.7904	1.7904
Cl3	1.7904	2.7663		2.9186	2.9186	4.3808	3.2669	3.2669
Cl4	1.7904	2.7663	2.9186		2.9186	3.2669	3.2669	4.3808
Cl5	1.7904	2.7663	2.9186	2.9186		3.2669	4.3808	3.2669
Cl6	2.7663	1.7904	4.3808	3.2669	3.2669		2.9186	2.9186
Cl7	2.7663	1.7904	3.2669	3.2669	4.3808	2.9186		2.9186
Cl8	2.7663	1.7904	3.2669	4.3808	3.2669	2.9186	2.9186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.749	C1	C2	Cl7	109.749
C1	C2	Cl8	109.749	C2	C1	Cl3	109.749
C2	C1	Cl4	109.749	C2	C1	Cl5	109.749
Cl3	C1	Cl4	109.192	Cl3	C1	Cl5	109.192
Cl4	C1	Cl5	109.192	Cl6	C2	Cl7	109.192
Cl6	C2	Cl8	109.192	Cl7	C2	Cl8	109.192

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)