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	hartrees
Energy at 0K	-2833.929576
Energy at 298.15K
HF Energy	-2832.691823
Nuclear repulsion energy	1010.972315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	1013	976
2	A_1g	434	418
3	A_1g	224	216
4	A_1u	88	84
5	A_2u	688	663
6	A_2u	381	367
7	E_g	875	843
7	E_g	875	843
8	E_g	345	332
8	E_g	345	332
9	E_g	227	218
9	E_g	227	218
10	E_u	799	769
10	E_u	799	769
11	E_u	282	272
11	E_u	282	272
12	E_u	167	161
12	E_u	167	161

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.794
C2	0.000	0.000	-0.794
Cl3	0.000	1.684	1.398
Cl4	-1.458	-0.842	1.398
Cl5	1.458	-0.842	1.398
Cl6	0.000	-1.684	-1.398
Cl7	-1.458	0.842	-1.398
Cl8	1.458	0.842	-1.398

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5870	1.7887	1.7887	1.7887	2.7633	2.7633	2.7633
C2	1.5870		2.7633	2.7633	2.7633	1.7887	1.7887	1.7887
Cl3	1.7887	2.7633		2.9160	2.9160	4.3763	3.2633	3.2633
Cl4	1.7887	2.7633	2.9160		2.9160	3.2633	3.2633	4.3763
Cl5	1.7887	2.7633	2.9160	2.9160		3.2633	4.3763	3.2633
Cl6	2.7633	1.7887	4.3763	3.2633	3.2633		2.9160	2.9160
Cl7	2.7633	1.7887	3.2633	3.2633	4.3763	2.9160		2.9160
Cl8	2.7633	1.7887	3.2633	4.3763	3.2633	2.9160	2.9160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.742	C1	C2	Cl7	109.742
C1	C2	Cl8	109.742	C2	C1	Cl3	109.742
C2	C1	Cl4	109.742	C2	C1	Cl5	109.742
Cl3	C1	Cl4	109.199	Cl3	C1	Cl5	109.199
Cl4	C1	Cl5	109.199	Cl6	C2	Cl7	109.199
Cl6	C2	Cl8	109.199	Cl7	C2	Cl8	109.199

All results from a given calculation for C₂Cl₆ (hexachloroethane)

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

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)