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	hartrees
Energy at 0K	-164.227352
Energy at 298.15K	-164.227739
HF Energy	-163.798435
Nuclear repulsion energy	245.174233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1009	972	0.00
2	A_1g	386	372	0.00
3	A_1g	213	205	0.00
4	A_1u	81	78	0.00
5	A_2u	637	613	54.09
6	A_2u	349	336	1.04
7	E_g	822	792	0.00
7	E_g	822	792	0.00
8	E_g	326	314	0.00
8	E_g	326	314	0.00
9	E_g	215	207	0.00
9	E_g	215	207	0.00
10	E_u	728	701	133.60
10	E_u	728	701	133.60
11	E_u	268	258	0.24
11	E_u	268	258	0.24
12	E_u	159	153	0.50
12	E_u	159	153	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.790
C2	0.000	0.000	-0.790
Cl3	0.000	1.746	1.447
Cl4	-1.512	-0.873	1.447
Cl5	1.512	-0.873	1.447
Cl6	0.000	-1.746	-1.447
Cl7	-1.512	0.873	-1.447
Cl8	1.512	0.873	-1.447

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5791	1.8656	1.8656	1.8656	2.8373	2.8373	2.8373
C2	1.5791		2.8373	2.8373	2.8373	1.8656	1.8656	1.8656
Cl3	1.8656	2.8373		3.0240	3.0240	4.5352	3.3799	3.3799
Cl4	1.8656	2.8373	3.0240		3.0240	3.3799	3.3799	4.5352
Cl5	1.8656	2.8373	3.0240	3.0240		3.3799	4.5352	3.3799
Cl6	2.8373	1.8656	4.5352	3.3799	3.3799		3.0240	3.0240
Cl7	2.8373	1.8656	3.3799	3.3799	4.5352	3.0240		3.0240
Cl8	2.8373	1.8656	3.3799	4.5352	3.3799	3.0240	3.0240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.636	C1	C2	Cl7	110.636
C1	C2	Cl8	110.636	C2	C1	Cl3	110.636
C2	C1	Cl4	110.636	C2	C1	Cl5	110.636
Cl3	C1	Cl4	108.282	Cl3	C1	Cl5	108.282
Cl4	C1	Cl5	108.282	Cl6	C2	Cl7	108.282
Cl6	C2	Cl8	108.282	Cl7	C2	Cl8	108.282

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)