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	hartrees
Energy at 0K	-2834.432499
Energy at 298.15K
HF Energy	-2832.808167
Nuclear repulsion energy	1017.406627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	1008	983
2	A_1g	436	425
3	A_1g	223	218
4	A_1u	84	82
5	A_2u	802	782
6	A_2u	802	782
7	A_2u	691	674
7	A_2u	379	369
8	E_g	876	854
8	E_g	876	854
9	E_g	343	335
9	E_g	343	335
10	E_g	225	220
10	E_g	224	219
11	E_u	280	273
11	E_u	279	272
12	E_u	166	161
12	E_u	165	161

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
C2	0.000	0.000	-0.789
Cl3	0.000	1.673	1.389
Cl4	-1.448	-0.836	1.389
Cl5	1.448	-0.836	1.389
Cl6	0.000	-1.673	-1.389
Cl7	-1.448	0.836	-1.389
Cl8	1.448	0.836	-1.389

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5776	1.7772	1.7772	1.7772	2.7463	2.7463	2.7463
C2	1.5776		2.7463	2.7463	2.7463	1.7772	1.7772	1.7772
Cl3	1.7772	2.7463		2.8970	2.8970	4.3488	3.2434	3.2434
Cl4	1.7772	2.7463	2.8970		2.8970	3.2434	3.2434	4.3488
Cl5	1.7772	2.7463	2.8970	2.8970		3.2434	4.3488	3.2434
Cl6	2.7463	1.7772	4.3488	3.2434	3.2434		2.8970	2.8970
Cl7	2.7463	1.7772	3.2434	3.2434	4.3488	2.8970		2.8970
Cl8	2.7463	1.7772	3.2434	4.3488	3.2434	2.8970	2.8970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.753	C1	C2	Cl7	109.753
C1	C2	Cl8	109.753	C2	C1	Cl3	109.753
C2	C1	Cl4	109.753	C2	C1	Cl5	109.753
Cl3	C1	Cl4	109.188	Cl3	C1	Cl5	109.188
Cl4	C1	Cl5	109.188	Cl6	C2	Cl7	109.188
Cl6	C2	Cl8	109.188	Cl7	C2	Cl8	109.188

All results from a given calculation for C₂Cl₆ (hexachloroethane)

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

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)