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	hartrees
Energy at 0K	-2833.416884
Energy at 298.15K	-2833.418048
HF Energy	-2832.551797
Nuclear repulsion energy	1022.862067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1084	1003	0.00
2	A_1g	470	435	0.00
3	A_1g	241	223	0.00
4	A_1u	94	87	0.00
5	A_2u	748	692	57.85
6	A_2u	412	381	1.39
7	E_g	972	900	0.00
7	E_g	972	900	0.00
8	E_g	371	344	0.00
8	E_g	371	344	0.00
9	E_g	245	226	0.00
9	E_g	245	226	0.00
10	E_u	878	813	189.95
10	E_u	878	813	189.95
11	E_u	305	282	0.13
11	E_u	305	282	0.13
12	E_u	180	167	0.24
12	E_u	180	167	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
C2	0.000	0.000	-0.788
Cl3	0.000	1.659	1.388
Cl4	-1.437	-0.830	1.388
Cl5	1.437	-0.830	1.388
Cl6	0.000	-1.659	-1.388
Cl7	-1.437	0.830	-1.388
Cl8	1.437	0.830	-1.388

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5760	1.7647	1.7647	1.7647	2.7369	2.7369	2.7369
C2	1.5760		2.7369	2.7369	2.7369	1.7647	1.7647	1.7647
Cl3	1.7647	2.7369		2.8742	2.8742	4.3273	3.2350	3.2350
Cl4	1.7647	2.7369	2.8742		2.8742	3.2350	3.2350	4.3273
Cl5	1.7647	2.7369	2.8742	2.8742		3.2350	4.3273	3.2350
Cl6	2.7369	1.7647	4.3273	3.2350	3.2350		2.8742	2.8742
Cl7	2.7369	1.7647	3.2350	3.2350	4.3273	2.8742		2.8742
Cl8	2.7369	1.7647	3.2350	4.3273	3.2350	2.8742	2.8742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.894	C1	C2	Cl7	109.894
C1	C2	Cl8	109.894	C2	C1	Cl3	109.894
C2	C1	Cl4	109.894	C2	C1	Cl5	109.894
Cl3	C1	Cl4	109.045	Cl3	C1	Cl5	109.045
Cl4	C1	Cl5	109.045	Cl6	C2	Cl7	109.045
Cl6	C2	Cl8	109.045	Cl7	C2	Cl8	109.045

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)