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	hartrees
Energy at 0K	-2833.930687
Energy at 298.15K
HF Energy	-2832.691767
Nuclear repulsion energy	1010.686675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	1011	970
2	A_1g	433	415
3	A_1g	224	215
4	A_1u	88	84
5	A_2u	687	659
6	A_2u	380	364
7	E_g	873	837
7	E_g	873	837
8	E_g	345	331
8	E_g	345	331
9	E_g	227	217
9	E_g	226	217
10	E_u	797	764
10	E_u	797	764
11	E_u	282	270
11	E_u	282	270
12	E_u	167	160
12	E_u	167	160

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		1.5876	1.7892	1.7892	1.7892	2.7641	2.7641	2.7641
C2	1.5876		2.7641	2.7641	2.7641	1.7892	1.7892	1.7892
Cl3	1.7892	2.7641		2.9169	2.9169	4.3775	3.2641	3.2641
Cl4	1.7892	2.7641	2.9169		2.9169	3.2641	3.2641	4.3776
Cl5	1.7892	2.7641	2.9169	2.9169		3.2641	4.3776	3.2641
Cl6	2.7641	1.7892	4.3775	3.2641	3.2641		2.9169	2.9169
Cl7	2.7641	1.7892	3.2641	3.2641	4.3776	2.9169		2.9169
Cl8	2.7641	1.7892	3.2641	4.3776	3.2641	2.9169	2.9169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.739	C1	C2	Cl7	109.739
C1	C2	Cl8	109.739	C2	C1	Cl3	109.739
C2	C1	Cl4	109.739	C2	C1	Cl5	109.739
Cl3	C1	Cl4	109.203	Cl3	C1	Cl5	109.203
Cl4	C1	Cl5	109.203	Cl6	C2	Cl7	109.203
Cl6	C2	Cl8	109.203	Cl7	C2	Cl8	109.203

All results from a given calculation for C₂Cl₆ (hexachloroethane)

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

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)