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	hartrees
Energy at 0K	-2833.414542
Energy at 298.15K	-2833.415711
HF Energy	-2832.551783
Nuclear repulsion energy	1023.055562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1085	1002	0.00
2	A_1g	471	435	0.00
3	A_1g	241	223	0.00
4	A_1u	94	87	0.00
5	A_2u	749	692	57.63
6	A_2u	412	381	1.40
7	E_g	975	900	0.00
7	E_g	975	900	0.00
8	E_g	372	343	0.00
8	E_g	372	343	0.00
9	E_g	245	226	0.00
9	E_g	245	226	0.00
10	E_u	879	812	188.53
10	E_u	879	812	188.53
11	E_u	305	282	0.14
11	E_u	305	282	0.14
12	E_u	180	166	0.24
12	E_u	180	166	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		1.5757	1.7643	1.7643	1.7643	2.7364	2.7364	2.7364
C2	1.5757		2.7364	2.7364	2.7364	1.7643	1.7643	1.7643
Cl3	1.7643	2.7364		2.8736	2.8736	4.3265	3.2344	3.2344
Cl4	1.7643	2.7364	2.8736		2.8736	3.2344	3.2344	4.3265
Cl5	1.7643	2.7364	2.8736	2.8736		3.2344	4.3265	3.2344
Cl6	2.7364	1.7643	4.3265	3.2344	3.2344		2.8736	2.8736
Cl7	2.7364	1.7643	3.2344	3.2344	4.3265	2.8736		2.8736
Cl8	2.7364	1.7643	3.2344	4.3265	3.2344	2.8736	2.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.895	C1	C2	Cl7	109.895
C1	C2	Cl8	109.895	C2	C1	Cl3	109.895
C2	C1	Cl4	109.895	C2	C1	Cl5	109.895
Cl3	C1	Cl4	109.044	Cl3	C1	Cl5	109.044
Cl4	C1	Cl5	109.044	Cl6	C2	Cl7	109.044
Cl6	C2	Cl8	109.044	Cl7	C2	Cl8	109.044

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)